#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k25 s GLN 3067N 0.00 4.44 -0.03 -1.40 -0.21 -1.26 -5.07 119.66 116.13 1k25 s GLN 3067Ca 0.00 1.07 0.05 0.00 0.02 0.00 0.00 55.36 56.50 1k25 s GLN 3067Cb 0.00 -3.48 -0.01 0.00 1.00 0.00 0.00 33.01 30.52 1k25 s GLN 3067CO 0.00 -0.06 -0.18 0.42 -2.12 0.00 0.00 175.29 173.35 1k25 s ILE 3068N 1.17 1.47 0.23 1.08 1.01 -1.26 -5.15 121.20 119.74 1k25 s ILE 3068Ca 0.42 -0.76 0.09 0.00 0.00 0.00 0.00 60.65 60.39 1k25 s ILE 3068Cb -0.18 -1.24 -0.04 0.00 0.01 0.00 0.00 42.46 41.01 1k25 s ILE 3068CO 0.20 0.42 0.01 0.42 0.00 0.00 0.00 174.94 175.99 1k25 s THR 3069N -0.20 3.62 0.03 2.92 -4.23 -1.26 -4.67 115.64 111.84 1k25 s THR 3069Ca 0.02 -1.69 0.02 0.00 -1.18 0.00 0.00 61.69 58.85 1k25 s THR 3069Cb -0.09 -2.89 -0.02 0.00 1.34 0.00 0.00 72.50 70.84 1k25 s THR 3069CO 0.01 -0.27 -0.06 -0.60 -0.54 0.00 0.00 174.62 173.16 1k25 s ARG 3070N -3.40 0.45 -0.19 3.99 3.52 -0.67 -4.99 118.95 117.66 1k25 s ARG 3070Ca 0.30 -0.56 -0.07 0.00 -0.13 0.00 0.00 55.73 55.27 1k25 s ARG 3070Cb -0.08 -0.27 -0.04 0.00 -1.56 0.00 0.00 34.95 33.01 1k25 s ARG 3070CO 0.20 0.05 0.05 0.95 -0.81 0.00 0.00 175.30 175.74 1k25 s THR 3071N -0.99 4.58 -0.56 4.11 -4.23 -1.26 0.32 115.64 117.61 1k25 s THR 3071Ca -0.07 -0.10 -0.21 0.00 -1.18 0.00 0.00 61.69 60.13 1k25 s THR 3071Cb -0.07 -3.07 0.06 0.00 1.34 0.00 0.00 72.50 70.76 1k25 s THR 3071CO 0.00 0.44 0.79 -0.69 -0.54 0.00 0.00 174.62 174.62 1k25 s VAL 3072N 0.60 4.63 -0.48 2.29 1.01 -0.09 -4.83 120.40 123.52 1k25 s VAL 3072Ca 0.02 -0.32 -0.43 0.00 0.00 0.00 0.00 61.98 61.25 1k25 s VAL 3072Cb -0.13 -4.47 -0.18 0.00 0.00 0.00 0.00 36.38 31.60 1k25 s VAL 3072CO 0.02 -1.06 2.11 -2.65 0.00 0.00 0.00 175.10 173.52 1k25 n PRO 3073N 6.85 0.13 -2.52 2.72 -0.02 -1.26 -1.78 135.00 139.11 1k25 n PRO 3073Ca -0.04 0.04 -0.36 0.00 -2.02 0.00 0.00 63.50 61.11 1k25 n PRO 3073Cb 0.46 -1.61 -0.04 0.00 -0.02 0.00 0.00 33.50 32.29 1k25 n PRO 3073CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1k25 s ALA 3074N 5.94 3.06 0.77 3.55 0.00 -1.26 -4.93 121.76 128.90 1k25 s ALA 3074Ca 1.18 0.71 -0.12 0.00 0.00 0.00 0.00 51.96 53.73 1k25 s ALA 3074Cb -1.43 -3.28 0.06 0.00 0.00 0.00 0.00 23.12 18.47 1k25 s ALA 3074CO 0.65 -0.25 1.12 0.21 0.00 0.00 0.00 175.76 177.49 1k25 s LYS 3075N -2.56 2.13 -0.20 0.00 2.20 -1.26 -4.94 119.74 115.11 1k25 s LYS 3075Ca 0.59 1.36 -0.02 0.00 -0.36 0.00 0.00 55.97 57.54 1k25 s LYS 3075Cb -0.22 -1.87 0.00 0.00 -1.51 0.00 0.00 37.83 34.23 1k25 s LYS 3075CO 0.27 -1.76 -0.11 0.50 -0.36 0.00 0.00 175.35 173.89 1k25 s ARG 3076N -4.55 3.23 1.04 4.03 3.52 -1.26 -2.91 118.95 122.06 1k25 s ARG 3076Ca 0.65 -0.71 -0.19 0.00 -0.13 0.00 0.00 55.73 55.36 1k25 s ARG 3076Cb -0.20 -2.82 0.01 0.00 -1.56 0.00 0.00 34.95 30.37 1k25 s ARG 3076CO 0.52 -0.18 -0.26 0.41 -0.81 0.00 0.00 175.30 174.97 1k25 n GLY 3077N 4.67 -2.70 3.42 8.12 0.00 0.35 -4.50 105.19 114.55 1k25 n GLY 3077Ca -0.19 -0.66 -0.30 0.00 0.00 0.00 0.00 46.02 44.87 1k25 n GLY 3077CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1k25 s THR 3078N -2.21 2.50 -0.51 2.61 -4.23 -1.26 -4.83 115.64 107.71 1k25 s THR 3078Ca 0.51 -1.51 -0.28 0.00 -1.18 0.00 0.00 61.69 59.23 1k25 s THR 3078Cb -0.11 -2.08 0.03 0.00 1.34 0.00 0.00 72.50 71.68 1k25 s THR 3078CO 0.68 0.20 1.13 -0.63 -0.54 0.00 0.00 174.62 175.45 1k25 s ILE 3079N -1.01 4.18 0.37 2.99 1.01 -1.00 -1.78 121.20 125.97 1k25 s ILE 3079Ca 0.15 1.05 -0.02 0.00 0.00 0.00 0.00 60.65 61.83 1k25 s ILE 3079Cb -0.10 -4.62 -0.04 0.00 0.01 0.00 0.00 42.46 37.71 1k25 s ILE 3079CO 0.06 -1.09 0.62 -0.31 0.00 0.00 0.00 174.94 174.22 1k25 s TYR 3080N 4.51 3.51 0.57 3.97 2.02 0.14 -2.84 117.35 129.23 1k25 s TYR 3080Ca 0.45 0.54 -0.06 0.00 -0.37 0.00 0.00 57.07 57.63 1k25 s TYR 3080Cb -0.08 -2.05 -0.01 0.00 -0.40 0.00 0.00 41.96 39.42 1k25 s TYR 3080CO 0.29 0.02 0.88 0.16 -1.57 0.00 0.00 175.55 175.33 1k25 s ASP 3081N -3.88 5.82 0.00 2.29 -4.77 -0.58 0.03 116.67 115.58 1k25 s ASP 3081Ca 0.43 0.84 0.00 0.00 -3.30 0.00 0.00 52.55 50.51 1k25 s ASP 3081Cb -0.10 -1.92 0.00 0.00 -1.09 0.00 0.00 42.92 39.81 1k25 s ASP 3081CO 0.37 -0.92 0.31 -2.11 0.70 0.00 0.00 175.17 173.53 1k25 n ARG 3082N -2.52 0.00 0.00 2.11 1.85 0.33 -1.67 116.66 116.76 1k25 n ARG 3082Ca 0.04 0.04 0.00 0.00 -1.00 0.00 0.00 57.85 56.93 1k25 n ARG 3082Cb 0.57 -1.55 0.00 0.00 -1.05 0.00 0.00 32.46 30.43 1k25 n ARG 3082CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1k25 n ASN 3083N -0.81 1.11 0.00 2.89 5.03 -1.26 -4.98 115.26 117.23 1k25 n ASN 3083Ca 0.00 -1.55 0.00 0.00 0.87 0.00 0.00 54.58 53.90 1k25 n ASN 3083Cb 0.05 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.81 1k25 n ASN 3083CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1k25 n GLY 3084N -0.27 2.55 3.68 7.41 0.00 -0.67 -5.06 105.19 112.83 1k25 n GLY 3084Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1k25 n GLY 3084CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k25 s VAL 3085N -2.60 3.39 0.29 1.61 1.01 -1.26 -4.73 120.40 118.10 1k25 s VAL 3085Ca 0.00 0.70 -0.30 0.00 0.00 0.00 0.00 61.98 62.38 1k25 s VAL 3085Cb 0.00 -3.45 -0.11 0.00 0.00 0.00 0.00 36.38 32.82 1k25 s VAL 3085CO 0.00 -0.03 1.59 -2.84 0.00 0.00 0.00 175.10 173.83 1k25 s PRO 3086N 3.13 4.13 -0.05 2.72 0.02 -1.26 -1.53 135.00 142.16 1k25 s PRO 3086Ca 0.72 2.57 -0.04 0.00 0.02 0.00 0.00 61.00 64.26 1k25 s PRO 3086Cb -0.36 -3.03 -0.03 0.00 0.02 0.00 0.00 34.50 31.11 1k25 s PRO 3086CO 0.30 -0.63 -0.09 -0.89 -0.33 0.00 0.00 177.00 175.36 1k25 n ILE 3087N 2.28 0.57 -3.70 2.83 5.41 -1.13 -4.77 119.36 120.85 1k25 n ILE 3087Ca 0.08 -0.01 -0.16 0.00 1.00 0.00 0.00 62.75 63.66 1k25 n ILE 3087Cb 0.37 -1.63 -0.16 0.00 -0.71 0.00 0.00 39.64 37.51 1k25 n ILE 3087CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1k25 s ALA 3088N -2.15 -0.08 0.34 -1.39 0.00 -1.19 -3.84 121.76 113.45 1k25 s ALA 3088Ca -0.09 0.49 0.05 0.00 0.00 0.00 0.00 51.96 52.41 1k25 s ALA 3088Cb 0.03 -0.62 -0.02 0.00 0.00 0.00 0.00 23.12 22.51 1k25 s ALA 3088CO 0.12 -0.39 0.17 -0.85 0.00 0.00 0.00 175.76 174.81 1k25 n GLU 3089N 4.90 0.52 -1.27 0.00 0.28 0.27 -2.36 120.64 122.99 1k25 n GLU 3089Ca -0.13 -3.07 -0.30 0.00 -0.16 0.00 0.00 57.16 53.50 1k25 n GLU 3089Cb 0.50 1.96 0.23 0.00 1.43 0.00 0.00 31.44 35.57 1k25 n GLU 3089CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1k25 s ASP 3090N -3.20 1.31 0.00 -1.84 -1.08 -1.26 0.69 116.67 111.29 1k25 s ASP 3090Ca 0.25 0.52 0.00 0.00 -0.52 0.00 0.00 52.55 52.79 1k25 s ASP 3090Cb 0.01 -0.69 0.00 0.00 -1.46 0.00 0.00 42.92 40.78 1k25 s ASP 3090CO 0.17 -3.87 0.00 0.00 0.52 0.00 0.00 175.17 171.99 1k25 n ALA 3091N -4.57 0.00 -1.96 3.66 0.00 -1.23 -4.20 120.51 112.20 1k25 n ALA 3091Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.16 1k25 n ALA 3091Cb 0.60 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.02 1k25 n ALA 3091CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1k25 s THR 3092N 0.00 3.43 0.25 0.00 -4.23 -1.26 -4.40 115.64 109.43 1k25 s THR 3092Ca 0.00 0.60 0.08 0.00 -1.18 0.00 0.00 61.69 61.18 1k25 s THR 3092Cb 0.00 -3.38 -0.04 0.00 1.34 0.00 0.00 72.50 70.42 1k25 s THR 3092CO 0.00 -0.04 0.14 -0.94 -0.54 0.00 0.00 174.62 173.24 1k25 s SER 3093N 3.29 5.27 0.19 3.99 1.04 -1.19 -4.66 113.70 121.63 1k25 s SER 3093Ca 0.75 -0.34 0.07 0.00 0.48 0.00 0.00 55.95 56.91 1k25 s SER 3093Cb -0.35 -1.27 -0.04 0.00 0.10 0.00 0.00 66.02 64.46 1k25 s SER 3093CO 0.31 -0.02 0.05 -0.31 0.98 0.00 0.00 173.24 174.25 1k25 s TYR 3094N -2.15 2.92 -0.10 5.02 1.51 0.01 -2.53 117.35 122.03 1k25 s TYR 3094Ca 0.32 -0.12 0.03 0.00 -1.01 0.00 0.00 57.07 56.30 1k25 s TYR 3094Cb -0.08 -1.39 0.00 0.00 -0.11 0.00 0.00 41.96 40.39 1k25 s TYR 3094CO 0.24 0.53 -0.21 -0.80 -1.11 0.00 0.00 175.55 174.19 1k25 s ASN 3095N -3.18 2.85 0.02 2.29 0.02 0.31 0.48 114.94 117.73 1k25 s ASN 3095Ca 0.29 -0.52 -0.19 0.00 -1.02 0.00 0.00 52.86 51.42 1k25 s ASN 3095Cb -0.09 -1.30 -0.06 0.00 0.02 0.00 0.00 41.25 39.82 1k25 s ASN 3095CO 0.21 0.12 0.55 0.54 0.02 0.00 0.00 177.10 178.54 1k25 s VAL 3096N 0.50 4.88 0.01 1.60 0.11 0.11 0.88 120.40 128.48 1k25 s VAL 3096Ca -0.16 1.17 -0.11 0.00 -2.93 0.00 0.00 61.98 59.94 1k25 s VAL 3096Cb -0.17 -3.89 0.01 0.00 -1.53 0.00 0.00 36.38 30.81 1k25 s VAL 3096CO 0.06 0.48 0.24 -0.72 -3.33 0.00 0.00 175.10 171.82 1k25 s TYR 3097N -0.56 -0.06 0.00 1.54 -0.85 -0.67 -4.08 117.35 112.67 1k25 s TYR 3097Ca 0.29 0.02 0.00 0.00 -0.52 0.00 0.00 57.07 56.86 1k25 s TYR 3097Cb -0.18 0.03 0.00 0.00 0.38 0.00 0.00 41.96 42.19 1k25 s TYR 3097CO 0.17 -0.38 0.00 0.00 -1.52 0.00 0.00 175.55 173.82 1k25 n ALA 3098N 1.16 0.45 -0.63 9.51 0.00 -1.26 -0.77 120.51 128.97 1k25 n ALA 3098Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1k25 n ALA 3098Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 1k25 n ALA 3098CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1k25 n VAL 3099N -1.23 -1.37 -0.00 0.00 0.31 -1.26 -4.35 118.33 110.43 1k25 n VAL 3099Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1k25 n VAL 3099Cb 0.00 -1.94 -0.00 0.00 -0.91 0.00 0.00 33.84 30.98 1k25 n VAL 3099CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1k25 n ILE 3100N 0.94 0.00 -0.32 2.52 -0.00 -1.26 -4.90 119.36 116.34 1k25 n ILE 3100Ca 0.00 -0.00 -0.29 0.00 -0.00 0.00 0.00 62.75 62.45 1k25 n ILE 3100Cb 0.00 -0.12 0.28 0.00 -0.00 0.00 0.00 39.64 39.80 1k25 n ILE 3100CO 0.00 0.00 0.00 -1.20 -0.00 0.00 0.00 176.55 175.35 1k25 n SER 3150N -1.71 -3.35 0.00 4.38 7.64 -1.26 -5.25 113.62 114.06 1k25 n SER 3150Ca -0.00 -0.62 0.00 0.00 1.01 0.00 0.00 58.87 59.26 1k25 n SER 3150Cb 0.21 -1.08 0.00 0.00 -1.01 0.00 0.00 64.21 62.33 1k25 n SER 3150CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1k25 n PHE 3151N -5.52 0.00 -1.41 1.43 3.01 -1.26 -4.78 117.46 108.93 1k25 n PHE 3151Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.55 1k25 n PHE 3151Cb 0.57 0.04 0.00 0.00 -0.01 0.00 0.00 39.48 40.09 1k25 n PHE 3151CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1k25 n GLY 3152N 0.00 0.78 0.00 1.37 0.00 -1.26 -4.33 105.19 101.75 1k25 n GLY 3152Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.33 1k25 n GLY 3152CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1k25 n SER 3153N 5.62 0.00 -0.18 1.61 2.88 -1.26 -2.43 113.62 119.86 1k25 n SER 3153Ca 0.00 0.00 0.27 0.00 -1.33 0.00 0.00 58.87 57.81 1k25 n SER 3153Cb 0.00 0.00 0.47 0.00 -0.75 0.00 0.00 64.21 63.93 1k25 n SER 3153CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1k25 h LYS 3154N 0.00 0.00 -0.77 -1.46 6.56 -1.98 0.77 116.57 119.69 1k25 h LYS 3154Ca 0.00 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.58 1k25 h LYS 3154Cb 0.00 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 31.62 1k25 h LYS 3154CO 0.00 0.00 0.43 0.78 -2.06 0.00 0.00 179.45 178.60 1k25 h GLY 3155N 0.00 1.15 -0.32 3.86 0.00 -1.70 -3.42 103.07 102.65 1k25 h GLY 3155Ca 0.46 -0.51 -0.14 0.00 0.00 0.00 0.00 47.33 47.14 1k25 h GLY 3155CO -0.00 0.49 0.03 0.70 0.00 0.00 0.00 176.54 177.75 1k25 n ASN 3156N -4.44 -1.59 0.00 0.19 4.13 0.27 0.07 115.26 113.88 1k25 n ASN 3156Ca 0.07 -0.67 0.00 0.00 1.68 0.00 0.00 54.58 55.66 1k25 n ASN 3156Cb 0.09 -0.35 0.00 0.00 -1.54 0.00 0.00 39.78 37.97 1k25 n ASN 3156CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1k25 n GLY 3157N -0.36 0.00 3.93 7.41 0.00 -1.23 -4.65 105.19 110.29 1k25 n GLY 3157Ca 0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 1k25 n GLY 3157CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1k25 s ILE 3158N 0.00 5.24 1.14 -0.61 1.01 0.18 -4.81 121.20 123.36 1k25 s ILE 3158Ca 0.00 -0.43 -0.16 0.00 0.00 0.00 0.00 60.65 60.06 1k25 s ILE 3158Cb 0.00 -3.72 0.26 0.00 0.01 0.00 0.00 42.46 39.00 1k25 s ILE 3158CO 0.00 -0.13 1.08 0.42 0.00 0.00 0.00 174.94 176.31 1k25 s THR 3159N -1.81 1.77 -0.08 2.92 -4.23 -1.26 -0.81 115.64 112.14 1k25 s THR 3159Ca 0.37 0.00 0.13 0.00 -1.18 0.00 0.00 61.69 61.02 1k25 s THR 3159Cb -0.11 -2.41 0.00 0.00 1.34 0.00 0.00 72.50 71.33 1k25 s THR 3159CO 0.29 0.00 1.42 0.22 -0.54 0.00 0.00 174.62 176.01 1k25 h TYR 3160N -2.41 0.00 0.00 3.99 3.20 -1.97 -3.13 116.97 116.64 1k25 h TYR 3160Ca -0.51 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.36 1k25 h TYR 3160Cb 1.32 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.59 1k25 h TYR 3160CO -1.02 0.61 0.00 0.00 -1.64 0.00 0.00 178.16 176.11 1k25 n ALA 3161N -2.26 -0.15 0.24 1.82 0.00 -1.26 -2.45 120.51 116.45 1k25 n ALA 3161Ca 0.01 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.52 1k25 n ALA 3161Cb 0.77 0.19 0.58 0.00 0.00 0.00 0.00 19.45 20.99 1k25 n ALA 3161CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1k25 h ASN 3162N 0.00 0.00 0.07 0.00 2.35 -1.97 -1.84 115.58 114.18 1k25 h ASN 3162Ca 0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1k25 h ASN 3162Cb 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.37 1k25 h ASN 3162CO 0.00 0.11 -0.00 -0.03 -1.65 0.00 0.00 177.43 175.86 1k25 h MET 3163N 0.00 0.00 -0.02 0.81 4.05 -1.45 0.22 114.93 118.54 1k25 h MET 3163Ca -0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1k25 h MET 3163Cb 0.20 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.00 1k25 h MET 3163CO 0.01 0.00 -0.16 -0.12 0.23 0.00 0.00 176.91 176.88 1k25 n MET 3164N -3.15 1.57 -0.13 0.39 0.00 -0.70 -3.74 117.12 111.36 1k25 n MET 3164Ca -0.03 -1.27 -0.23 0.00 -0.00 0.00 0.00 57.70 56.17 1k25 n MET 3164Cb 0.09 -1.34 -0.11 0.00 0.00 0.00 0.00 33.22 31.86 1k25 n MET 3164CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1k25 n ALA 3165N 0.55 1.30 0.31 -5.12 0.00 -0.21 -0.66 120.51 116.68 1k25 n ALA 3165Ca 0.09 -1.06 0.19 0.00 0.00 0.00 0.00 53.44 52.66 1k25 n ALA 3165Cb 0.42 -0.05 1.05 0.00 0.00 0.00 0.00 19.45 20.87 1k25 n ALA 3165CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1k25 h ILE 3166N -0.42 0.28 0.00 0.00 2.04 -0.86 0.65 117.51 119.20 1k25 h ILE 3166Ca -0.61 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.25 1k25 h ILE 3166Cb 1.78 0.99 0.00 0.00 -0.74 0.00 0.00 36.82 38.85 1k25 h ILE 3166CO -0.22 0.00 -0.37 0.11 0.00 0.00 0.00 178.15 177.68 1k25 h LYS 3167N 0.00 0.00 -0.86 2.37 1.57 -1.67 -3.18 116.57 114.81 1k25 h LYS 3167Ca 0.00 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 58.89 1k25 h LYS 3167Cb 0.02 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.20 1k25 h LYS 3167CO -0.00 0.00 -0.47 0.87 -0.57 0.00 0.00 179.45 179.28 1k25 h LYS 3168N -0.93 -0.08 0.17 3.15 1.79 0.29 0.21 116.57 121.17 1k25 h LYS 3168Ca 0.00 0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.47 1k25 h LYS 3168Cb 0.37 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.03 1k25 h LYS 3168CO 0.00 -0.05 -0.09 1.49 -1.08 0.00 0.00 179.45 179.72 1k25 h GLU 3169N -0.08 -0.23 0.14 3.15 4.81 0.03 -3.39 114.58 119.02 1k25 h GLU 3169Ca 0.23 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.47 1k25 h GLU 3169Cb 0.53 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.96 1k25 h GLU 3169CO -0.87 -0.15 -0.07 -0.07 -0.73 0.00 0.00 179.01 177.12 1k25 h LEU 3170N -0.23 -0.16 0.00 1.64 3.38 -1.26 -3.33 115.31 115.34 1k25 h LEU 3170Ca -0.02 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1k25 h LEU 3170Cb 0.19 0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1k25 h LEU 3170CO 0.03 0.06 0.00 -0.62 0.09 0.00 0.00 178.44 178.00 1k25 n GLU 3171N -3.48 0.00 0.45 1.13 1.02 0.63 -2.64 120.64 117.76 1k25 n GLU 3171Ca -0.02 0.21 -0.18 0.00 -0.02 0.00 0.00 57.16 57.15 1k25 n GLU 3171Cb 0.08 -0.35 -0.08 0.00 -0.02 0.00 0.00 31.44 31.06 1k25 n GLU 3171CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1k25 h THR 3172N 0.00 0.00 -0.02 2.62 2.02 -1.76 -3.39 112.91 112.38 1k25 h THR 3172Ca 0.00 -0.08 -0.04 0.00 0.77 0.00 0.00 66.41 67.06 1k25 h THR 3172Cb 0.00 0.00 0.01 0.00 -1.74 0.00 0.00 68.15 66.42 1k25 h THR 3172CO 0.00 0.00 0.71 0.00 0.37 0.00 0.00 175.52 176.60 1k25 n ALA 3173N -2.64 0.37 -0.00 6.16 0.00 -1.08 -4.60 120.51 118.73 1k25 n ALA 3173Ca -0.14 -1.34 0.00 0.00 0.00 0.00 0.00 53.44 51.95 1k25 n ALA 3173Cb 0.45 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.56 1k25 n ALA 3173CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1k25 n GLU 3174N 5.48 0.00 -3.24 0.00 -0.00 -1.26 -4.86 120.64 116.76 1k25 n GLU 3174Ca 0.13 0.00 0.03 0.00 -0.00 0.00 0.00 57.16 57.33 1k25 n GLU 3174Cb 0.45 0.00 -0.04 0.00 -0.00 0.00 0.00 31.44 31.85 1k25 n GLU 3174CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1k25 s VAL 3175N 0.00 -0.23 -0.13 3.84 1.01 -1.26 -5.09 120.40 118.54 1k25 s VAL 3175Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 61.98 61.98 1k25 s VAL 3175Cb 0.00 -1.00 0.03 0.00 0.00 0.00 0.00 36.38 35.41 1k25 s VAL 3175CO 0.00 0.00 -0.09 -0.54 0.00 0.00 0.00 175.10 174.47 1k25 s LYS 3176N 2.33 1.74 0.00 2.72 -0.14 -1.26 -4.53 119.74 120.61 1k25 s LYS 3176Ca -0.01 -0.37 0.00 0.00 -1.36 0.00 0.00 55.97 54.23 1k25 s LYS 3176Cb -0.04 -1.77 0.00 0.00 -1.68 0.00 0.00 37.83 34.34 1k25 s LYS 3176CO -0.15 -0.27 0.00 0.41 -0.76 0.00 0.00 175.35 174.57 1k25 n GLY 3177N 4.89 2.43 3.63 -3.33 0.00 -1.26 -5.11 105.19 106.44 1k25 n GLY 3177Ca -0.14 -0.27 -0.43 0.00 0.00 0.00 0.00 46.02 45.19 1k25 n GLY 3177CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1k25 s ILE 3178N 0.00 3.58 0.06 -0.61 -1.09 -1.26 -4.55 121.20 117.33 1k25 s ILE 3178Ca 0.00 0.65 0.00 0.00 -2.23 0.00 0.00 60.65 59.07 1k25 s ILE 3178Cb 0.00 -3.58 -0.00 0.00 -1.58 0.00 0.00 42.46 37.30 1k25 s ILE 3178CO 0.00 -0.24 0.02 0.47 -1.23 0.00 0.00 174.94 173.96 1k25 n ASP 3179N 8.63 1.21 -2.31 3.58 8.00 0.05 -5.01 116.55 130.70 1k25 n ASP 3179Ca 0.20 -1.32 -0.11 0.00 0.71 0.00 0.00 54.79 54.27 1k25 n ASP 3179Cb 0.45 0.13 -0.04 0.00 -0.02 0.00 0.00 41.12 41.64 1k25 n ASP 3179CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1k25 n PHE 3180N -0.14 -0.37 -3.75 1.24 3.01 -1.26 -1.67 117.46 114.52 1k25 n PHE 3180Ca -0.01 -1.53 -0.16 0.00 1.01 0.00 0.00 57.45 56.76 1k25 n PHE 3180Cb 0.09 0.14 -0.16 0.00 -0.01 0.00 0.00 39.48 39.53 1k25 n PHE 3180CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1k25 s THR 3181N -2.70 -0.07 -0.21 4.37 -4.23 0.25 -4.85 115.64 108.21 1k25 s THR 3181Ca 0.20 0.25 -0.25 0.00 -1.18 0.00 0.00 61.69 60.72 1k25 s THR 3181Cb 0.01 -0.10 -0.01 0.00 1.34 0.00 0.00 72.50 73.75 1k25 s THR 3181CO 0.14 0.10 0.84 0.28 -0.54 0.00 0.00 174.62 175.45 1k25 s THR 3182N 1.26 4.85 -0.29 3.99 -1.32 -1.26 -0.53 115.64 122.33 1k25 s THR 3182Ca -0.07 1.62 0.02 0.00 -1.21 0.00 0.00 61.69 62.06 1k25 s THR 3182Cb -0.13 -4.14 0.08 0.00 -1.51 0.00 0.00 72.50 66.81 1k25 s THR 3182CO -0.03 -0.04 0.01 -0.94 -2.21 0.00 0.00 174.62 171.41 1k25 s SER 3183N 1.25 4.33 0.11 8.08 1.04 -1.05 -5.01 113.70 122.45 1k25 s SER 3183Ca 0.37 -1.68 -0.30 0.00 0.48 0.00 0.00 55.95 54.81 1k25 s SER 3183Cb -0.16 -1.34 -0.06 0.00 0.10 0.00 0.00 66.02 64.55 1k25 s SER 3183CO 0.09 -0.32 1.12 -2.84 0.98 0.00 0.00 173.24 172.28 1k25 s PRO 3184N 1.20 4.53 0.11 4.02 0.02 -1.26 -3.17 135.00 140.45 1k25 s PRO 3184Ca 0.03 1.70 0.02 0.00 0.02 0.00 0.00 61.00 62.77 1k25 s PRO 3184Cb -0.19 -3.33 -0.01 0.00 0.02 0.00 0.00 34.50 31.00 1k25 s PRO 3184CO -0.10 -0.06 0.06 -1.71 -0.33 0.00 0.00 177.00 174.85 1k25 n ASN 3185N 3.14 0.59 -4.29 2.53 5.15 -1.26 -4.92 115.26 116.19 1k25 n ASN 3185Ca 0.05 -1.64 -0.16 0.00 -0.60 0.00 0.00 54.58 52.24 1k25 n ASN 3185Cb 0.47 0.37 -0.10 0.00 -0.53 0.00 0.00 39.78 39.98 1k25 n ASN 3185CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 1k25 s ARG 3186N -2.43 1.22 -0.14 1.20 6.06 -1.26 -3.57 118.95 120.03 1k25 s ARG 3186Ca 0.08 -1.58 -0.06 0.00 -2.50 0.00 0.00 55.73 51.67 1k25 s ARG 3186Cb 0.00 -0.60 0.06 0.00 0.06 0.00 0.00 34.95 34.47 1k25 s ARG 3186CO 0.06 -0.03 0.31 0.45 -2.50 0.00 0.00 175.30 173.59 1k25 s SER 3187N -3.25 -0.16 -0.40 -2.12 0.15 0.22 -4.80 113.70 103.35 1k25 s SER 3187Ca 0.24 0.69 0.01 0.00 0.70 0.00 0.00 55.95 57.58 1k25 s SER 3187Cb 0.04 0.68 0.11 0.00 -1.71 0.00 0.00 66.02 65.15 1k25 s SER 3187CO 0.05 -0.20 0.15 -0.31 1.20 0.00 0.00 173.24 174.13 1k25 s TYR 3188N 1.77 3.63 -0.90 3.44 1.51 -1.26 0.96 117.35 126.50 1k25 s TYR 3188Ca -0.06 -2.78 0.19 0.00 -1.01 0.00 0.00 57.07 53.41 1k25 s TYR 3188Cb -0.11 -3.05 0.79 0.00 -0.11 0.00 0.00 41.96 39.49 1k25 s TYR 3188CO -0.10 -0.93 1.60 -0.35 -1.11 0.00 0.00 175.55 174.65 1k25 n PRO 3189N 4.23 0.05 0.01 -1.71 -0.04 -1.25 -3.41 135.00 132.88 1k25 n PRO 3189Ca 0.02 0.24 0.04 0.00 -0.04 0.00 0.00 63.50 63.76 1k25 n PRO 3189Cb 0.41 -1.58 -0.10 0.00 -0.04 0.00 0.00 33.50 32.19 1k25 n PRO 3189CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1k25 n ASN 3190N -1.66 0.48 0.00 3.54 3.02 -1.26 -5.04 115.26 114.33 1k25 n ASN 3190Ca 0.04 0.20 0.00 0.00 -0.03 0.00 0.00 54.58 54.79 1k25 n ASN 3190Cb 0.22 0.88 0.00 0.00 -0.61 0.00 0.00 39.78 40.27 1k25 n ASN 3190CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1k25 n GLY 3191N 1.37 1.40 3.42 7.41 0.00 -1.22 -4.74 105.19 112.83 1k25 n GLY 3191Ca -0.10 -0.49 -0.44 0.00 0.00 0.00 0.00 46.02 44.99 1k25 n GLY 3191CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1k25 s GLN 3192N 0.00 3.09 -0.38 1.61 0.74 -1.26 -1.54 119.66 121.91 1k25 s GLN 3192Ca 0.00 -1.04 0.05 0.00 0.05 0.00 0.00 55.36 54.41 1k25 s GLN 3192Cb 0.00 -4.15 0.16 0.00 1.10 0.00 0.00 33.01 30.12 1k25 s GLN 3192CO 0.00 -1.30 0.46 0.12 -0.55 0.00 0.00 175.29 174.02 1k25 s PHE 3193N 2.58 -0.73 -1.66 1.67 2.19 -1.26 -4.89 117.98 115.88 1k25 s PHE 3193Ca 0.13 -0.51 -0.15 0.00 0.33 0.00 0.00 56.93 56.73 1k25 s PHE 3193Cb -0.21 -0.19 0.13 0.00 -1.31 0.00 0.00 43.02 41.45 1k25 s PHE 3193CO 0.10 -1.03 0.73 0.00 1.83 0.00 0.00 175.22 176.84 1k25 n ALA 3194N 4.28 -1.38 -0.44 11.12 0.00 -1.26 -4.71 120.51 128.11 1k25 n ALA 3194Ca 0.11 -0.05 0.38 0.00 0.00 0.00 0.00 53.44 53.89 1k25 n ALA 3194Cb 0.49 -3.19 0.66 0.00 0.00 0.00 0.00 19.45 17.41 1k25 n ALA 3194CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1k25 h SER 3195N -1.57 0.23 0.27 0.00 0.02 -1.89 0.20 113.55 110.80 1k25 h SER 3195Ca -0.60 0.17 -0.33 0.00 -0.84 0.00 0.00 61.79 60.19 1k25 h SER 3195Cb 1.38 0.17 -0.05 0.00 0.14 0.00 0.00 62.40 64.04 1k25 h SER 3195CO 0.76 -0.27 -1.97 -1.20 -1.14 0.00 0.00 176.83 173.01 1k25 n SER 3196N -4.80 1.20 0.01 3.07 7.64 -1.26 -1.27 113.62 118.21 1k25 n SER 3196Ca 0.39 0.24 -0.12 0.00 1.01 0.00 0.00 58.87 60.40 1k25 n SER 3196Cb 1.49 -0.16 -0.07 0.00 -1.01 0.00 0.00 64.21 64.47 1k25 n SER 3196CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 1k25 h PHE 3197N 0.02 0.06 0.39 1.43 3.57 -1.47 -3.25 116.94 117.69 1k25 h PHE 3197Ca -0.39 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.09 1k25 h PHE 3197Cb 2.05 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 40.77 1k25 h PHE 3197CO 0.03 0.12 -0.19 0.82 -2.23 0.00 0.00 178.31 176.86 1k25 h ILE 3198N -0.02 0.00 0.00 1.41 1.08 -0.82 -2.17 117.51 116.99 1k25 h ILE 3198Ca 0.01 -0.13 0.00 0.00 -0.39 0.00 0.00 64.86 64.36 1k25 h ILE 3198Cb 0.08 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.83 1k25 h ILE 3198CO -0.00 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 178.07 1k25 n GLY 3199N -0.53 -2.77 3.37 5.37 0.00 -0.39 -0.54 105.19 109.70 1k25 n GLY 3199Ca -0.06 -1.96 -0.22 0.00 0.00 0.00 0.00 46.02 43.77 1k25 n GLY 3199CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k25 s LEU 3200N 0.00 2.49 -0.28 0.99 1.43 -1.23 -4.76 118.68 117.32 1k25 s LEU 3200Ca 0.00 -0.93 0.01 0.00 -1.03 0.00 0.00 54.13 52.18 1k25 s LEU 3200Cb 0.00 -0.89 0.08 0.00 0.03 0.00 0.00 46.19 45.42 1k25 s LEU 3200CO 0.00 -0.03 0.02 0.00 0.23 0.00 0.00 176.35 176.57 1k25 s ALA 3201N -2.28 1.91 0.00 4.21 0.00 -1.26 -1.46 121.76 122.89 1k25 s ALA 3201Ca 0.20 -1.62 0.00 0.00 0.00 0.00 0.00 51.96 50.54 1k25 s ALA 3201Cb -0.05 -1.57 0.00 0.00 0.00 0.00 0.00 23.12 21.50 1k25 s ALA 3201CO 0.08 -1.44 0.00 1.04 0.00 0.00 0.00 175.76 175.45 1k25 n GLN 3202N 4.68 3.18 -4.00 0.00 6.02 0.73 -4.72 117.38 123.27 1k25 n GLN 3202Ca -0.05 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.63 1k25 n GLN 3202Cb 0.43 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.64 1k25 n GLN 3202CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1k25 s LEU 3203N 0.00 4.03 -0.04 1.08 1.02 -1.26 -0.22 118.68 123.28 1k25 s LEU 3203Ca 0.00 0.12 -0.00 0.00 0.02 0.00 0.00 54.13 54.26 1k25 s LEU 3203Cb 0.00 -2.63 0.03 0.00 0.02 0.00 0.00 46.19 43.60 1k25 s LEU 3203CO 0.00 0.18 0.01 -2.28 0.02 0.00 0.00 176.35 174.28 1k25 s HIS 3204N -1.41 0.37 0.02 0.29 5.65 0.13 -4.79 115.29 115.55 1k25 s HIS 3204Ca 0.31 -0.01 -0.30 0.00 0.25 0.00 0.00 55.06 55.30 1k25 s HIS 3204Cb -0.12 -0.51 -0.07 0.00 -1.18 0.00 0.00 32.58 30.69 1k25 s HIS 3204CO 0.23 -0.18 1.65 -2.00 -0.65 0.00 0.00 174.74 173.79 1k25 s GLU 3205N 1.36 4.20 0.73 2.88 2.12 -1.26 -2.10 118.70 126.62 1k25 s GLU 3205Ca -0.05 2.26 -0.07 0.00 0.36 0.00 0.00 54.97 57.47 1k25 s GLU 3205Cb -0.13 -3.77 0.09 0.00 0.26 0.00 0.00 34.13 30.58 1k25 s GLU 3205CO -0.02 -0.77 1.04 -0.80 -0.54 0.00 0.00 175.26 174.17 1k25 s ASN 3206N 2.81 4.56 0.10 -1.70 0.01 0.52 -4.95 114.94 116.29 1k25 s ASN 3206Ca 0.74 0.32 -0.31 0.00 -0.71 0.00 0.00 52.86 52.89 1k25 s ASN 3206Cb -0.37 -0.87 -0.12 0.00 0.41 0.00 0.00 41.25 40.31 1k25 s ASN 3206CO 0.31 -1.76 1.59 -0.33 -1.51 0.00 0.00 177.10 175.41 1k25 h GLU 3207N -0.70 -0.70 -0.00 -0.60 5.08 -1.95 -1.06 114.58 114.65 1k25 h GLU 3207Ca -0.43 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 1k25 h GLU 3207Cb 1.30 0.16 -0.00 0.00 0.50 0.00 0.00 28.75 30.71 1k25 h GLU 3207CO 0.55 -0.46 0.22 0.38 -1.00 0.00 0.00 179.01 178.69 1k25 h ASP 3208N -0.72 0.00 0.00 1.42 3.04 -1.95 -3.45 116.42 114.76 1k25 h ASP 3208Ca -0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1k25 h ASP 3208Cb 0.69 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.98 1k25 h ASP 3208CO -0.16 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.65 1k25 n GLY 3209N -1.17 1.76 3.73 7.15 0.00 -0.40 -5.08 105.19 111.17 1k25 n GLY 3209Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 1k25 n GLY 3209CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1k25 s SER 3210N -1.43 2.41 -0.14 1.61 1.04 -1.26 -4.57 113.70 111.37 1k25 s SER 3210Ca 0.00 0.76 0.02 0.00 0.48 0.00 0.00 55.95 57.21 1k25 s SER 3210Cb 0.00 -1.15 0.01 0.00 0.10 0.00 0.00 66.02 64.99 1k25 s SER 3210CO 0.00 -3.22 -0.19 -0.54 0.98 0.00 0.00 173.24 170.27 1k25 s LYS 3211N -5.38 2.74 0.39 4.02 1.02 -1.26 -0.35 119.74 120.92 1k25 s LYS 3211Ca 0.68 -0.75 0.08 0.00 0.02 0.00 0.00 55.97 56.00 1k25 s LYS 3211Cb -0.12 -2.28 -0.03 0.00 -0.52 0.00 0.00 37.83 34.88 1k25 s LYS 3211CO 0.55 -0.07 0.31 -1.12 -0.92 0.00 0.00 175.35 174.10 1k25 s SER 3212N 0.98 4.97 -0.04 2.83 0.01 -0.89 -4.77 113.70 116.79 1k25 s SER 3212Ca -0.04 -0.75 -0.16 0.00 1.31 0.00 0.00 55.95 56.30 1k25 s SER 3212Cb -0.15 -0.64 -0.05 0.00 0.21 0.00 0.00 66.02 65.39 1k25 s SER 3212CO -0.04 -0.55 0.44 -0.76 0.41 0.00 0.00 173.24 172.74 1k25 s LEU 3213N -4.05 4.41 0.18 2.44 1.02 -1.26 0.19 118.68 121.61 1k25 s LEU 3213Ca 0.45 0.92 0.07 0.00 0.02 0.00 0.00 54.13 55.59 1k25 s LEU 3213Cb -0.03 -2.64 -0.05 0.00 0.02 0.00 0.00 46.19 43.50 1k25 s LEU 3213CO 0.26 0.21 -0.13 -0.76 0.02 0.00 0.00 176.35 175.95 1k25 s LEU 3214N -0.46 2.54 -0.32 1.79 2.01 0.69 -4.89 118.68 120.04 1k25 s LEU 3214Ca 0.25 -1.00 -0.18 0.00 0.01 0.00 0.00 54.13 53.20 1k25 s LEU 3214Cb -0.16 -0.58 -0.01 0.00 0.01 0.00 0.00 46.19 45.44 1k25 s LEU 3214CO 0.12 -0.21 0.54 -0.83 1.01 0.00 0.00 176.35 176.99 1k25 s GLY 3215N -3.21 1.81 0.11 -3.19 0.00 -1.26 -0.19 107.32 101.39 1k25 s GLY 3215Ca 0.20 -0.82 0.25 0.00 0.00 0.00 0.00 44.72 44.35 1k25 s GLY 3215CO 0.05 1.30 1.43 -1.30 0.00 0.00 0.00 173.10 174.58 1k25 n THR 3216N 5.36 0.33 -3.60 0.90 -2.24 -0.54 -4.41 114.28 110.08 1k25 n THR 3216Ca -0.04 -0.23 0.01 0.00 -2.27 0.00 0.00 64.05 61.53 1k25 n THR 3216Cb 0.49 -0.17 -0.01 0.00 -2.10 0.00 0.00 70.33 68.55 1k25 n THR 3216CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1k25 s SER 3217N -4.05 -0.04 0.48 3.42 1.04 -1.25 -4.94 113.70 108.36 1k25 s SER 3217Ca 0.08 -0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.46 1k25 s SER 3217Cb 0.14 0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.34 1k25 s SER 3217CO 0.69 -0.15 0.00 0.61 0.98 0.00 0.00 173.24 175.37 1k25 n GLY 3218N -0.36 0.76 0.35 7.32 0.00 -1.26 -1.43 105.19 110.57 1k25 n GLY 3218Ca -0.06 -0.81 0.01 0.00 0.00 0.00 0.00 46.02 45.17 1k25 n GLY 3218CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1k25 n MET 3219N 0.00 -0.18 -0.06 1.61 0.00 -0.64 0.67 117.12 118.52 1k25 n MET 3219Ca 0.00 1.45 -0.10 0.00 -0.00 0.00 0.00 57.70 59.04 1k25 n MET 3219Cb 0.00 -2.15 -0.04 0.00 0.00 0.00 0.00 33.22 31.03 1k25 n MET 3219CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 175.97 177.46 1k25 h GLU 3220N 0.00 -0.36 0.00 2.12 4.57 -0.80 -0.29 114.58 119.83 1k25 h GLU 3220Ca 0.36 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.57 1k25 h GLU 3220Cb 0.60 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.27 1k25 h GLU 3220CO -0.94 -0.24 0.00 0.45 -1.18 0.00 0.00 179.01 177.10 1k25 n SER 3221N -5.42 0.00 -0.40 1.04 2.88 0.21 -3.56 113.62 108.37 1k25 n SER 3221Ca -0.02 0.91 -0.07 0.00 -1.33 0.00 0.00 58.87 58.37 1k25 n SER 3221Cb 0.35 -0.41 -0.04 0.00 -0.75 0.00 0.00 64.21 63.35 1k25 n SER 3221CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1k25 h SER 3222N 0.00 -1.85 -0.67 -3.46 0.02 -1.15 -1.93 113.55 104.51 1k25 h SER 3222Ca 0.00 0.32 -0.72 0.00 -0.84 0.00 0.00 61.79 60.55 1k25 h SER 3222Cb 0.00 0.87 -0.07 0.00 0.14 0.00 0.00 62.40 63.34 1k25 h SER 3222CO 0.00 -0.26 2.88 0.18 -1.14 0.00 0.00 176.83 178.49 1k25 n LEU 3223N -5.35 7.74 0.00 5.07 4.32 -0.13 -4.63 117.00 124.02 1k25 n LEU 3223Ca 0.06 -4.55 0.00 0.00 -0.02 0.00 0.00 56.01 51.49 1k25 n LEU 3223Cb 0.32 -1.50 0.00 0.00 -1.62 0.00 0.00 43.42 40.62 1k25 n LEU 3223CO -0.15 1.74 0.00 -3.20 -1.22 0.00 0.00 177.39 174.56 1k25 n ASN 3224N 3.52 0.00 -0.24 -1.43 5.15 -0.73 -3.57 115.26 117.96 1k25 n ASN 3224Ca 0.60 0.00 0.27 0.00 -0.60 0.00 0.00 54.58 54.85 1k25 n ASN 3224Cb 0.29 0.00 0.41 0.00 -0.53 0.00 0.00 39.78 39.96 1k25 n ASN 3224CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1k25 n SER 3225N -0.99 0.00 0.11 1.20 3.41 -1.26 0.38 113.62 116.47 1k25 n SER 3225Ca 0.00 0.67 0.02 0.00 -0.26 0.00 0.00 58.87 59.30 1k25 n SER 3225Cb 0.00 -0.25 -0.01 0.00 -0.26 0.00 0.00 64.21 63.69 1k25 n SER 3225CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1k25 h ILE 3226N 0.00 0.77 0.00 -1.33 2.04 -1.91 -3.35 117.51 113.73 1k25 h ILE 3226Ca 0.47 -2.16 -0.09 0.00 1.00 0.00 0.00 64.86 64.08 1k25 h ILE 3226Cb 2.61 2.31 -0.02 0.00 -0.74 0.00 0.00 36.82 40.98 1k25 h ILE 3226CO -0.00 0.44 -1.79 0.18 0.00 0.00 0.00 178.15 176.97 1k25 n LEU 3227N -3.12 0.28 -1.78 1.44 4.77 1.24 -0.95 117.00 118.88 1k25 n LEU 3227Ca -0.01 0.12 -0.11 0.00 -0.03 0.00 0.00 56.01 55.98 1k25 n LEU 3227Cb 0.77 0.08 0.07 0.00 -2.33 0.00 0.00 43.42 42.01 1k25 n LEU 3227CO 0.41 0.07 0.18 0.00 -1.33 0.00 0.00 177.39 176.72 1k25 n ALA 3228N -2.35 4.10 0.00 -1.18 0.00 -0.96 0.13 120.51 120.25 1k25 n ALA 3228Ca -0.09 -3.40 0.00 0.00 0.00 0.00 0.00 53.44 49.95 1k25 n ALA 3228Cb 0.70 -0.45 0.00 0.00 0.00 0.00 0.00 19.45 19.70 1k25 n ALA 3228CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k25 n GLY 3229N -0.70 0.00 3.15 0.00 0.00 -1.26 -4.50 105.19 101.88 1k25 n GLY 3229Ca 0.29 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.98 1k25 n GLY 3229CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k25 s THR 3230N 0.00 2.10 0.78 2.61 2.01 -0.67 -4.87 115.64 117.60 1k25 s THR 3230Ca 0.00 -0.95 -0.12 0.00 0.31 0.00 0.00 61.69 60.93 1k25 s THR 3230Cb 0.00 -1.86 0.07 0.00 0.01 0.00 0.00 72.50 70.72 1k25 s THR 3230CO 0.00 0.54 1.14 -1.81 -0.69 0.00 0.00 174.62 173.80 1k25 s ASP 3231N 1.06 4.08 0.48 3.53 -0.00 -1.26 -0.07 116.67 124.48 1k25 s ASP 3231Ca -0.01 2.07 0.04 0.00 -0.00 0.00 0.00 52.55 54.66 1k25 s ASP 3231Cb -0.14 -2.55 0.02 0.00 -0.00 0.00 0.00 42.92 40.24 1k25 s ASP 3231CO -0.07 -2.32 0.66 -0.83 -0.00 0.00 0.00 175.17 172.60 1k25 s GLY 3232N -2.76 1.85 -0.19 0.21 0.00 -0.73 -4.63 107.32 101.08 1k25 s GLY 3232Ca 0.67 -1.47 -0.04 0.00 0.00 0.00 0.00 44.72 43.87 1k25 s GLY 3232CO 0.52 -1.25 0.07 -0.42 0.00 0.00 0.00 173.10 172.02 1k25 s ILE 3233N -2.54 0.14 0.05 0.90 1.01 -1.08 -0.91 121.20 118.78 1k25 s ILE 3233Ca 0.55 -0.36 -0.02 0.00 0.00 0.00 0.00 60.65 60.82 1k25 s ILE 3233Cb -0.10 -0.78 -0.04 0.00 0.01 0.00 0.00 42.46 41.55 1k25 s ILE 3233CO 0.36 -0.29 0.23 -0.63 0.00 0.00 0.00 174.94 174.60 1k25 s ILE 3234N 2.03 5.37 -0.43 2.92 1.01 0.15 -3.33 121.20 128.92 1k25 s ILE 3234Ca 0.02 -0.24 0.04 0.00 0.00 0.00 0.00 60.65 60.47 1k25 s ILE 3234Cb -0.16 -3.60 0.17 0.00 0.01 0.00 0.00 42.46 38.88 1k25 s ILE 3234CO -0.11 0.19 0.41 0.28 0.00 0.00 0.00 174.94 175.72 1k25 s THR 3235N -1.47 0.02 -0.77 2.92 -1.32 0.15 -1.67 115.64 113.51 1k25 s THR 3235Ca 0.33 -2.19 -0.32 0.00 -1.21 0.00 0.00 61.69 58.31 1k25 s THR 3235Cb -0.13 -0.96 -0.17 0.00 -1.51 0.00 0.00 72.50 69.73 1k25 s THR 3235CO 0.24 -0.95 2.53 -2.65 -2.21 0.00 0.00 174.62 171.58 1k25 n PRO 3246N 2.99 0.35 -2.76 7.08 -0.02 -1.26 -4.30 135.00 137.08 1k25 n PRO 3246Ca 0.26 0.03 -0.09 0.00 -2.02 0.00 0.00 63.50 61.68 1k25 n PRO 3246Cb 0.49 -2.04 0.04 0.00 -0.02 0.00 0.00 33.50 31.96 1k25 n PRO 3246CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1k25 n GLY 3247N 6.49 0.15 2.40 -1.23 0.00 -1.26 -4.96 105.19 106.79 1k25 n GLY 3247Ca 0.56 -0.23 0.01 0.00 0.00 0.00 0.00 46.02 46.35 1k25 n GLY 3247CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1k25 n THR 3248N -2.81 0.83 -3.21 2.61 -2.24 -1.26 -5.05 114.28 103.16 1k25 n THR 3248Ca -0.08 -2.25 -0.46 0.00 -2.27 0.00 0.00 64.05 58.99 1k25 n THR 3248Cb 0.56 1.20 -0.04 0.00 -2.10 0.00 0.00 70.33 69.95 1k25 n THR 3248CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1k25 s GLU 3249N -2.50 3.27 0.48 -0.78 0.41 -1.26 -4.83 118.70 113.49 1k25 s GLU 3249Ca 0.28 -1.83 0.08 0.00 -0.41 0.00 0.00 54.97 53.10 1k25 s GLU 3249Cb 0.34 -4.40 0.08 0.00 -1.78 0.00 0.00 34.13 28.37 1k25 s GLU 3249CO -0.08 -1.44 0.66 -0.11 -0.49 0.00 0.00 175.26 173.80 1k25 n LEU 3250N 5.34 0.00 0.00 1.80 7.94 -1.26 -4.89 117.00 125.93 1k25 n LEU 3250Ca 0.00 -2.10 0.00 0.00 -1.11 0.00 0.00 56.01 52.80 1k25 n LEU 3250Cb 0.44 -0.34 0.00 0.00 0.53 0.00 0.00 43.42 44.05 1k25 n LEU 3250CO 0.49 -0.67 0.00 1.33 -1.11 0.00 0.00 177.39 177.42 1k25 n VAL 3251N -2.04 0.00 0.00 1.96 0.24 -1.26 -0.68 118.33 116.56 1k25 n VAL 3251Ca 0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.43 1k25 n VAL 3251Cb 0.50 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.87 1k25 n VAL 3251CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1k25 n SER 3252N 0.00 0.00 -3.84 -1.34 2.88 -1.21 -4.43 113.62 105.68 1k25 n SER 3252Ca 0.00 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.25 1k25 n SER 3252Cb 0.00 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.33 1k25 n SER 3252CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1k25 s GLN 3253N 0.00 2.00 -0.35 -1.46 -1.52 -1.23 -4.95 119.66 112.15 1k25 s GLN 3253Ca 0.00 -2.81 -0.31 0.00 -1.95 0.00 0.00 55.36 50.28 1k25 s GLN 3253Cb 0.00 -3.06 -0.09 0.00 -0.22 0.00 0.00 33.01 29.64 1k25 s GLN 3253CO 0.00 -1.22 2.26 1.04 -0.25 0.00 0.00 175.29 177.12 1k25 n GLN 3254N 2.64 1.32 -1.62 2.91 1.13 -1.26 -2.62 117.38 119.88 1k25 n GLN 3254Ca 0.14 0.32 -0.58 0.00 -1.94 0.00 0.00 57.00 54.94 1k25 n GLN 3254Cb 0.35 -2.81 -0.07 0.00 0.11 0.00 0.00 30.24 27.81 1k25 n GLN 3254CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1k25 n THR 3255N 7.52 0.07 -4.10 5.09 -2.24 -1.26 -4.79 114.28 114.57 1k25 n THR 3255Ca 0.38 -0.01 -0.33 0.00 -2.27 0.00 0.00 64.05 61.82 1k25 n THR 3255Cb 0.34 -0.64 -0.16 0.00 -2.10 0.00 0.00 70.33 67.77 1k25 n THR 3255CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1k25 s VAL 3256N 1.51 2.16 0.26 2.28 1.01 0.89 -4.94 120.40 123.57 1k25 s VAL 3256Ca 0.93 -1.03 -0.30 0.00 0.00 0.00 0.00 61.98 61.58 1k25 s VAL 3256Cb -1.16 -1.97 -0.10 0.00 0.00 0.00 0.00 36.38 33.15 1k25 s VAL 3256CO 0.60 0.44 1.43 -1.81 0.00 0.00 0.00 175.10 175.76 1k25 s ASP 3257N 1.27 6.65 1.27 3.32 1.01 -1.26 -1.67 116.67 127.26 1k25 s ASP 3257Ca 0.03 2.69 -0.21 0.00 0.71 0.00 0.00 52.55 55.76 1k25 s ASP 3257Cb -0.14 -2.63 0.31 0.00 1.01 0.00 0.00 42.92 41.47 1k25 s ASP 3257CO -0.11 -0.69 1.08 -0.83 0.21 0.00 0.00 175.17 174.83 1k25 s GLY 3258N 0.26 1.56 0.37 0.21 0.00 -1.14 -4.58 107.32 103.99 1k25 s GLY 3258Ca 0.58 -1.02 -0.04 0.00 0.00 0.00 0.00 44.72 44.25 1k25 s GLY 3258CO 0.45 -0.07 0.63 0.54 0.00 0.00 0.00 173.10 174.65 1k25 s LYS 3259N -5.42 3.57 0.07 2.90 1.02 -0.12 -4.21 119.74 117.55 1k25 s LYS 3259Ca 0.71 -0.03 -0.06 0.00 0.02 0.00 0.00 55.97 56.61 1k25 s LYS 3259Cb -0.09 -2.56 -0.05 0.00 -0.52 0.00 0.00 37.83 34.61 1k25 s LYS 3259CO 0.56 0.07 0.33 -0.51 -0.92 0.00 0.00 175.35 174.88 1k25 s ASP 3260N -3.70 6.52 -0.27 2.83 1.01 0.79 -3.88 116.67 119.96 1k25 s ASP 3260Ca 0.44 0.61 0.03 0.00 0.71 0.00 0.00 52.55 54.33 1k25 s ASP 3260Cb -0.10 -2.10 0.07 0.00 1.01 0.00 0.00 42.92 41.79 1k25 s ASP 3260CO 0.36 0.16 -0.07 -0.69 0.21 0.00 0.00 175.17 175.14 1k25 s VAL 3261N -1.46 2.06 -0.66 -1.27 1.01 -0.74 0.43 120.40 119.77 1k25 s VAL 3261Ca 0.34 -1.69 -0.24 0.00 0.00 0.00 0.00 61.98 60.38 1k25 s VAL 3261Cb -0.13 -2.26 0.05 0.00 0.00 0.00 0.00 36.38 34.04 1k25 s VAL 3261CO 0.20 -0.16 1.05 -0.31 0.00 0.00 0.00 175.10 175.89 1k25 s TYR 3262N 1.12 2.59 0.00 5.22 1.51 0.61 0.27 117.35 128.67 1k25 s TYR 3262Ca -0.05 -0.30 0.00 0.00 -1.01 0.00 0.00 57.07 55.72 1k25 s TYR 3262Cb -0.20 -4.35 0.00 0.00 -0.11 0.00 0.00 41.96 37.30 1k25 s TYR 3262CO -0.06 -1.71 0.00 0.25 -1.11 0.00 0.00 175.55 172.91 1k25 n THR 3263N 6.11 0.00 0.24 -0.71 -2.24 0.10 -0.34 114.28 117.45 1k25 n THR 3263Ca -0.01 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.81 1k25 n THR 3263Cb 0.47 -0.42 0.05 0.00 -2.10 0.00 0.00 70.33 68.33 1k25 n THR 3263CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1k25 n THR 3264N -0.78 0.19 -2.33 4.28 -2.24 0.23 -2.76 114.28 110.86 1k25 n THR 3264Ca 0.00 -0.59 -0.41 0.00 -2.27 0.00 0.00 64.05 60.78 1k25 n THR 3264Cb 0.00 1.04 -0.03 0.00 -2.10 0.00 0.00 70.33 69.23 1k25 n THR 3264CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1k25 s LEU 3265N -0.71 4.48 -0.74 3.22 1.43 -1.17 -3.92 118.68 121.26 1k25 s LEU 3265Ca 0.10 2.37 -0.14 0.00 -1.03 0.00 0.00 54.13 55.44 1k25 s LEU 3265Cb 0.07 -3.62 0.19 0.00 0.03 0.00 0.00 46.19 42.86 1k25 s LEU 3265CO 0.10 -0.34 0.68 -0.55 0.23 0.00 0.00 176.35 176.46 1k25 s SER 3266N -0.35 6.52 0.32 2.29 0.15 0.11 0.12 113.70 122.87 1k25 s SER 3266Ca 0.49 -2.47 0.09 0.00 0.70 0.00 0.00 55.95 54.77 1k25 s SER 3266Cb -0.34 -2.19 0.96 0.00 -1.71 0.00 0.00 66.02 62.74 1k25 s SER 3266CO 0.42 -0.63 1.51 -1.20 1.20 0.00 0.00 173.24 174.54 1k25 n SER 3267N 4.27 0.06 0.20 5.45 7.64 -1.26 0.12 113.62 130.10 1k25 n SER 3267Ca 0.06 1.62 0.05 0.00 1.01 0.00 0.00 58.87 61.61 1k25 n SER 3267Cb 0.45 -0.67 0.47 0.00 -1.01 0.00 0.00 64.21 63.45 1k25 n SER 3267CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1k25 h PRO 3268N 0.00 0.06 0.10 1.43 0.13 -1.96 -2.36 132.00 129.39 1k25 h PRO 3268Ca 0.68 -0.01 -0.35 0.00 -0.87 0.00 0.00 66.00 65.45 1k25 h PRO 3268Cb 1.58 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.68 1k25 h PRO 3268CO -0.84 0.23 -1.93 -0.11 -0.23 0.00 0.00 178.00 175.11 1k25 n LEU 3269N -4.31 2.23 0.20 1.56 7.94 0.32 -3.66 117.00 121.27 1k25 n LEU 3269Ca -0.02 0.26 -0.13 0.00 -1.11 0.00 0.00 56.01 55.01 1k25 n LEU 3269Cb 0.25 -0.82 -0.07 0.00 0.53 0.00 0.00 43.42 43.31 1k25 n LEU 3269CO 0.37 0.75 0.52 -0.61 -1.11 0.00 0.00 177.39 177.30 1k25 h GLN 3270N 0.06 -0.67 -0.96 1.96 5.75 -0.56 -1.42 115.11 119.26 1k25 h GLN 3270Ca -0.39 0.05 0.30 0.00 -0.15 0.00 0.00 58.65 58.46 1k25 h GLN 3270Cb 2.03 0.15 -0.15 0.00 1.07 0.00 0.00 27.48 30.58 1k25 h GLN 3270CO 0.09 -0.45 0.42 0.66 -2.65 0.00 0.00 178.83 176.90 1k25 h SER 3271N -0.69 0.25 0.02 -0.69 4.64 -1.61 0.23 113.55 115.70 1k25 h SER 3271Ca -0.04 0.21 -0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1k25 h SER 3271Cb 0.60 0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 1k25 h SER 3271CO -0.05 -0.20 -0.01 0.15 -0.87 0.00 0.00 176.83 175.85 1k25 h PHE 3272N 0.22 -0.02 -0.73 4.77 3.57 -1.44 0.24 116.94 123.54 1k25 h PHE 3272Ca 0.68 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 62.27 1k25 h PHE 3272Cb 1.54 0.01 -0.07 0.00 2.79 0.00 0.00 35.95 40.22 1k25 h PHE 3272CO -0.13 0.05 0.38 1.98 -2.23 0.00 0.00 178.31 178.36 1k25 h MET 3273N -0.09 0.64 -0.06 1.11 4.05 0.41 1.64 114.93 122.63 1k25 h MET 3273Ca -0.00 -0.04 0.03 0.00 -0.28 0.00 0.00 59.70 59.41 1k25 h MET 3273Cb 0.08 -0.14 -0.04 0.00 -0.80 0.00 0.00 31.60 30.70 1k25 h MET 3273CO 0.00 0.42 -0.14 0.93 0.23 0.00 0.00 176.91 178.36 1k25 h GLU 3274N 0.66 -0.20 0.37 0.39 4.39 -0.52 2.26 114.58 121.93 1k25 h GLU 3274Ca 0.35 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 60.06 1k25 h GLU 3274Cb 0.33 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.00 1k25 h GLU 3274CO -0.25 -0.13 -0.41 1.15 -1.16 0.00 0.00 179.01 178.21 1k25 h THR 3275N -0.21 0.17 0.00 1.13 2.02 0.16 -2.26 112.91 113.93 1k25 h THR 3275Ca 0.07 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.25 1k25 h THR 3275Cb 0.30 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 66.88 1k25 h THR 3275CO -0.18 0.00 0.00 1.56 0.37 0.00 0.00 175.52 177.27 1k25 h GLN 3276N -0.81 0.00 -0.02 6.66 1.08 0.30 -2.16 115.11 120.15 1k25 h GLN 3276Ca -0.03 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 1k25 h GLN 3276Cb 0.74 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.17 1k25 h GLN 3276CO -0.09 0.00 -0.07 -0.12 -0.95 0.00 0.00 178.83 177.60 1k25 n MET 3277N -2.96 1.80 0.01 1.46 1.56 0.76 -3.48 117.12 116.26 1k25 n MET 3277Ca -0.01 -1.30 0.02 0.00 -0.27 0.00 0.00 57.70 56.15 1k25 n MET 3277Cb 0.20 -1.47 -0.11 0.00 2.15 0.00 0.00 33.22 33.99 1k25 n MET 3277CO 0.00 0.00 0.00 -0.25 -0.73 0.00 0.00 175.97 174.99 1k25 n ASP 3278N 0.53 0.48 -0.80 6.12 9.92 -0.81 -3.74 116.55 128.24 1k25 n ASP 3278Ca 0.15 0.21 0.09 0.00 -0.53 0.00 0.00 54.79 54.71 1k25 n ASP 3278Cb 0.46 0.81 0.12 0.00 -0.64 0.00 0.00 41.12 41.87 1k25 n ASP 3278CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1k25 n ALA 3279N -2.40 2.43 0.08 2.24 0.00 -1.23 -3.53 120.51 118.10 1k25 n ALA 3279Ca -0.11 -0.78 0.07 0.00 0.00 0.00 0.00 53.44 52.62 1k25 n ALA 3279Cb 0.79 -0.64 -0.03 0.00 0.00 0.00 0.00 19.45 19.57 1k25 n ALA 3279CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1k25 n PHE 3280N 1.06 0.98 0.04 0.00 7.35 -1.23 -3.72 117.46 121.94 1k25 n PHE 3280Ca 0.13 0.30 -0.19 0.00 -0.76 0.00 0.00 57.45 56.92 1k25 n PHE 3280Cb 0.48 -1.01 -0.14 0.00 0.35 0.00 0.00 39.48 39.16 1k25 n PHE 3280CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 1k25 h LEU 3281N 0.00 0.45 -0.45 -2.13 5.85 -1.65 -3.20 115.31 114.19 1k25 h LEU 3281Ca -0.06 -0.94 -0.03 0.00 0.84 0.00 0.00 57.88 57.69 1k25 h LEU 3281Cb 1.22 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.09 1k25 h LEU 3281CO 0.02 1.35 0.18 -0.33 -0.34 0.00 0.00 178.44 179.32 1k25 h GLU 3282N -0.38 0.67 -0.27 1.25 4.39 -1.70 1.52 114.58 120.06 1k25 h GLU 3282Ca -0.13 -0.12 0.03 0.00 0.34 0.00 0.00 59.36 59.47 1k25 h GLU 3282Cb 1.58 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 30.09 1k25 h GLU 3282CO 0.14 0.62 0.10 0.87 -1.16 0.00 0.00 179.01 179.57 1k25 h LYS 3283N 0.58 0.21 0.00 2.33 1.57 -1.71 -3.36 116.57 116.20 1k25 h LYS 3283Ca 0.15 -0.01 -0.23 0.00 -1.87 0.00 0.00 60.65 58.68 1k25 h LYS 3283Cb 0.20 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 1k25 h LYS 3283CO -0.01 0.14 -1.67 0.28 -0.57 0.00 0.00 179.45 177.62 1k25 n VAL 3284N -5.03 1.51 -2.08 0.50 0.31 -1.20 -4.86 118.33 107.48 1k25 n VAL 3284Ca -0.01 -0.11 -0.02 0.00 -0.01 0.00 0.00 64.34 64.19 1k25 n VAL 3284Cb 0.09 -2.11 0.01 0.00 -0.91 0.00 0.00 33.84 30.92 1k25 n VAL 3284CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1k25 n LYS 3285N -4.38 -0.79 -3.12 5.55 4.76 0.52 -3.19 118.16 117.51 1k25 n LYS 3285Ca -0.34 0.13 -0.37 0.00 -2.87 0.00 0.00 58.31 54.86 1k25 n LYS 3285Cb 0.68 -2.75 -0.06 0.00 -1.84 0.00 0.00 35.03 31.06 1k25 n LYS 3285CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1k25 s GLY 3286N -3.16 2.66 0.54 0.72 0.00 -1.26 -3.78 107.32 103.04 1k25 s GLY 3286Ca 0.02 0.16 0.27 0.00 0.00 0.00 0.00 44.72 45.17 1k25 s GLY 3286CO 0.11 0.55 1.98 1.70 0.00 0.00 0.00 173.10 177.43 1k25 h LYS 3287N 3.70 0.00 -2.08 2.90 3.64 -1.32 -3.39 116.57 120.03 1k25 h LYS 3287Ca -0.48 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 58.68 1k25 h LYS 3287Cb 1.20 0.00 -0.32 0.00 -0.41 0.00 0.00 32.23 32.70 1k25 h LYS 3287CO 0.65 0.00 -0.54 0.71 -2.27 0.00 0.00 179.45 178.00 1k25 s TYR 3288N -4.96 -0.65 -0.12 1.91 2.02 -1.24 -4.65 117.35 109.65 1k25 s TYR 3288Ca -0.05 0.53 -0.04 0.00 -0.37 0.00 0.00 57.07 57.14 1k25 s TYR 3288Cb 0.19 -0.15 -0.03 0.00 -0.40 0.00 0.00 41.96 41.57 1k25 s TYR 3288CO 0.71 -0.73 0.02 -1.64 -1.57 0.00 0.00 175.55 172.35 1k25 s MET 3289N 2.47 3.38 0.05 -0.62 -1.94 -1.25 -0.89 119.30 120.50 1k25 s MET 3289Ca 0.11 -0.39 -0.03 0.00 -1.71 0.00 0.00 55.69 53.67 1k25 s MET 3289Cb -0.15 -2.95 -0.03 0.00 2.01 0.00 0.00 34.83 33.71 1k25 s MET 3289CO -0.17 0.53 0.02 0.99 -0.01 0.00 0.00 175.02 176.37 1k25 s THR 3290N -0.38 0.17 -0.30 2.05 2.01 -1.21 -1.30 115.64 116.69 1k25 s THR 3290Ca 0.08 -1.43 -0.10 0.00 0.31 0.00 0.00 61.69 60.56 1k25 s THR 3290Cb -0.12 -1.13 0.16 0.00 0.01 0.00 0.00 72.50 71.42 1k25 s THR 3290CO 0.02 -0.79 0.81 0.00 -0.69 0.00 0.00 174.62 173.97 1k25 s ALA 3291N -3.17 -2.54 -0.07 7.40 0.00 -0.30 -2.61 121.76 120.47 1k25 s ALA 3291Ca -0.00 1.97 0.05 0.00 0.00 0.00 0.00 51.96 53.98 1k25 s ALA 3291Cb 0.02 -2.09 -0.00 0.00 0.00 0.00 0.00 23.12 21.05 1k25 s ALA 3291CO -0.07 -1.13 -0.23 0.99 0.00 0.00 0.00 175.76 175.31 1k25 s THR 3292N 2.77 1.93 -0.27 0.00 2.01 -0.71 -1.57 115.64 119.79 1k25 s THR 3292Ca 0.03 -0.97 -0.00 0.00 0.31 0.00 0.00 61.69 61.06 1k25 s THR 3292Cb -0.11 -1.65 0.04 0.00 0.01 0.00 0.00 72.50 70.80 1k25 s THR 3292CO -0.18 0.53 -0.06 -0.22 -0.69 0.00 0.00 174.62 174.01 1k25 s LEU 3293N 0.11 3.48 -0.04 4.42 0.20 0.09 -0.62 118.68 126.32 1k25 s LEU 3293Ca -0.10 -1.16 0.01 0.00 0.69 0.00 0.00 54.13 53.56 1k25 s LEU 3293Cb -0.15 -1.64 -0.03 0.00 -0.43 0.00 0.00 46.19 43.93 1k25 s LEU 3293CO 0.06 -0.19 -0.03 -0.69 -0.29 0.00 0.00 176.35 175.20 1k25 s VAL 3294N 1.23 3.95 -0.20 1.68 1.01 0.50 -1.41 120.40 127.17 1k25 s VAL 3294Ca -0.04 -0.52 -0.29 0.00 0.00 0.00 0.00 61.98 61.13 1k25 s VAL 3294Cb -0.19 -2.68 -0.00 0.00 0.00 0.00 0.00 36.38 33.51 1k25 s VAL 3294CO -0.04 0.50 1.11 -0.55 0.00 0.00 0.00 175.10 176.13 1k25 s SER 3295N -1.14 7.06 0.08 3.32 0.15 0.91 -1.25 113.70 122.82 1k25 s SER 3295Ca 0.15 1.50 -0.32 0.00 0.70 0.00 0.00 55.95 57.99 1k25 s SER 3295Cb -0.11 -2.54 -0.17 0.00 -1.71 0.00 0.00 66.02 61.49 1k25 s SER 3295CO 0.05 -0.68 1.63 0.00 1.20 0.00 0.00 173.24 175.44 1k25 h ALA 3296N 7.66 -0.80 0.00 5.45 0.00 -1.72 0.89 119.26 130.73 1k25 h ALA 3296Ca -0.23 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1k25 h ALA 3296Cb 1.08 0.36 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1k25 h ALA 3296CO 0.96 -0.96 0.00 1.63 0.00 0.00 0.00 179.25 180.89 1k25 n LYS 3297N -5.45 0.15 0.00 0.00 4.76 -1.26 -3.89 118.16 112.48 1k25 n LYS 3297Ca -0.12 0.58 0.00 0.00 -2.87 0.00 0.00 58.31 55.90 1k25 n LYS 3297Cb 0.34 -1.93 0.00 0.00 -1.84 0.00 0.00 35.03 31.60 1k25 n LYS 3297CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1k25 n THR 3298N -2.25 0.00 0.00 -0.18 -2.24 -1.16 -5.01 114.28 103.45 1k25 n THR 3298Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1k25 n THR 3298Cb 0.08 -0.37 0.00 0.00 -2.10 0.00 0.00 70.33 67.95 1k25 n THR 3298CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k25 n GLY 3299N 2.67 0.35 3.65 3.38 0.00 0.31 -4.60 105.19 110.94 1k25 n GLY 3299Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1k25 n GLY 3299CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1k25 n GLU 3300N -1.57 1.63 -3.47 1.61 1.02 -1.24 -2.95 120.64 115.67 1k25 n GLU 3300Ca 0.00 0.58 -0.40 0.00 -0.02 0.00 0.00 57.16 57.32 1k25 n GLU 3300Cb 0.00 -2.17 -0.10 0.00 -0.02 0.00 0.00 31.44 29.15 1k25 n GLU 3300CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1k25 s ILE 3301N -1.21 5.23 -0.12 -3.67 1.01 -0.74 -0.06 121.20 121.64 1k25 s ILE 3301Ca 0.61 -0.05 -0.23 0.00 0.00 0.00 0.00 60.65 60.99 1k25 s ILE 3301Cb -0.55 -3.75 -0.27 0.00 0.01 0.00 0.00 42.46 37.90 1k25 s ILE 3301CO 0.58 -0.02 0.67 -0.07 0.00 0.00 0.00 174.94 176.09 1k25 h LEU 3302N 8.60 0.23 -7.83 2.97 3.38 -1.35 -3.10 115.31 118.19 1k25 h LEU 3302Ca -0.31 -0.88 -0.10 0.00 0.09 0.00 0.00 57.88 56.68 1k25 h LEU 3302Cb 1.15 -0.07 -0.16 0.00 0.09 0.00 0.00 40.66 41.67 1k25 h LEU 3302CO 0.66 1.34 -0.43 0.00 0.09 0.00 0.00 178.44 180.09 1k25 s ALA 3303N -2.36 -0.18 -0.21 1.53 0.00 -1.13 0.08 121.76 119.49 1k25 s ALA 3303Ca -0.19 -0.54 -0.31 0.00 0.00 0.00 0.00 51.96 50.92 1k25 s ALA 3303Cb 0.01 0.35 0.15 0.00 0.00 0.00 0.00 23.12 23.64 1k25 s ALA 3303CO 0.73 -0.41 1.18 -0.08 0.00 0.00 0.00 175.76 177.18 1k25 s THR 3304N -3.19 0.00 -0.24 0.00 -1.32 -1.26 -0.73 115.64 108.91 1k25 s THR 3304Ca -0.00 0.00 -0.35 0.00 -1.21 0.00 0.00 61.69 60.13 1k25 s THR 3304Cb 0.02 -1.00 0.15 0.00 -1.51 0.00 0.00 72.50 70.16 1k25 s THR 3304CO -0.07 0.00 1.29 0.28 -2.21 0.00 0.00 174.62 173.91 1k25 s THR 3305N -1.44 0.00 0.24 5.08 -1.32 -0.61 -4.17 115.64 113.42 1k25 s THR 3305Ca 0.05 0.00 0.05 0.00 -1.21 0.00 0.00 61.69 60.58 1k25 s THR 3305Cb -0.01 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.96 1k25 s THR 3305CO -0.04 0.00 0.22 0.00 -2.21 0.00 0.00 174.62 172.59 1k25 n GLN 3306N 0.08 0.31 -3.99 7.08 10.64 -1.26 -1.15 117.38 129.10 1k25 n GLN 3306Ca 0.02 -2.42 -0.13 0.00 -1.83 0.00 0.00 57.00 52.64 1k25 n GLN 3306Cb 0.58 2.01 -0.13 0.00 -0.86 0.00 0.00 30.24 31.83 1k25 n GLN 3306CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 1k25 s ARG 3307N -2.97 0.23 1.01 2.61 1.81 -0.42 -4.45 118.95 116.77 1k25 s ARG 3307Ca 0.29 -0.23 -0.12 0.00 -1.72 0.00 0.00 55.73 53.95 1k25 s ARG 3307Cb 0.01 -0.13 0.20 0.00 -0.45 0.00 0.00 34.95 34.58 1k25 s ARG 3307CO 0.20 0.03 1.08 -2.14 -0.68 0.00 0.00 175.30 173.79 1k25 s PRO 3308N -0.43 0.31 0.00 3.54 0.02 -1.26 -3.76 135.00 133.42 1k25 s PRO 3308Ca -0.03 0.81 0.00 0.00 0.02 0.00 0.00 61.00 61.80 1k25 s PRO 3308Cb -0.03 -1.70 0.00 0.00 0.02 0.00 0.00 34.50 32.79 1k25 s PRO 3308CO -0.00 -2.89 0.00 2.41 -0.33 0.00 0.00 177.00 176.19 1k25 n THR 3309N -4.33 0.00 -3.63 0.99 -1.04 -1.26 -5.02 114.28 99.99 1k25 n THR 3309Ca 0.06 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.99 1k25 n THR 3309Cb 0.55 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 69.00 1k25 n THR 3309CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 1k25 s PHE 3310N -1.49 -0.33 -0.77 -1.42 -0.71 -1.26 -4.54 117.98 107.46 1k25 s PHE 3310Ca 0.00 0.73 -0.26 0.00 -1.04 0.00 0.00 56.93 56.36 1k25 s PHE 3310Cb 0.00 0.42 0.02 0.00 -1.21 0.00 0.00 43.02 42.24 1k25 s PHE 3310CO 0.00 -0.20 1.49 1.21 -1.34 0.00 0.00 175.22 176.38 1k25 s ASN 3311N -0.22 5.94 0.51 1.98 3.84 -0.78 -4.66 114.94 121.55 1k25 s ASN 3311Ca 0.03 -0.46 0.06 0.00 0.21 0.00 0.00 52.86 52.70 1k25 s ASN 3311Cb -0.04 -2.55 0.30 0.00 -0.55 0.00 0.00 41.25 38.41 1k25 s ASN 3311CO -0.06 -1.97 1.08 0.00 -2.79 0.00 0.00 177.10 173.35 1k25 h ALA 3312N 11.21 1.65 0.01 1.71 0.00 -1.60 0.77 119.26 133.01 1k25 h ALA 3312Ca -0.17 0.00 -0.40 0.00 0.00 0.00 0.00 54.91 54.35 1k25 h ALA 3312Cb 1.07 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.79 1k25 h ALA 3312CO 1.29 -0.65 -2.44 -3.47 0.00 0.00 0.00 179.25 173.98 1k25 n ASP 3313N -2.26 1.99 0.04 0.00 2.03 -1.26 -4.43 116.55 112.66 1k25 n ASP 3313Ca -0.00 -0.05 0.12 0.00 0.52 0.00 0.00 54.79 55.37 1k25 n ASP 3313Cb 0.76 -0.50 0.14 0.00 -0.72 0.00 0.00 41.12 40.80 1k25 n ASP 3313CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1k25 n THR 3314N -3.40 0.25 -0.32 5.18 -2.24 -0.34 -4.92 114.28 108.49 1k25 n THR 3314Ca -0.46 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 1k25 n THR 3314Cb 0.98 0.03 0.00 0.00 -2.10 0.00 0.00 70.33 69.24 1k25 n THR 3314CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1k25 n LYS 3315N -1.98 0.00 -1.64 -0.78 4.76 0.25 -4.94 118.16 113.84 1k25 n LYS 3315Ca 0.03 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.06 1k25 n LYS 3315Cb 0.42 -2.99 0.01 0.00 -1.84 0.00 0.00 35.03 30.64 1k25 n LYS 3315CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1k25 n GLU 3316N -2.00 1.53 -0.37 1.97 2.13 -1.25 -2.16 120.64 120.48 1k25 n GLU 3316Ca 0.00 0.55 0.00 0.00 0.66 0.00 0.00 57.16 58.37 1k25 n GLU 3316Cb 0.00 -2.15 0.00 0.00 0.27 0.00 0.00 31.44 29.56 1k25 n GLU 3316CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1k25 n GLY 3317N 1.06 0.74 2.82 8.31 0.00 -1.26 -1.86 105.19 115.00 1k25 n GLY 3317Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1k25 n GLY 3317CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1k25 n ILE 3318N -2.00 5.07 -0.46 -0.61 5.41 -0.92 -4.67 119.36 121.17 1k25 n ILE 3318Ca 0.00 -5.14 -0.28 0.00 1.00 0.00 0.00 62.75 58.33 1k25 n ILE 3318Cb 0.00 -2.11 0.26 0.00 -0.71 0.00 0.00 39.64 37.08 1k25 n ILE 3318CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1k25 n THR 3319N 1.93 0.00 0.39 1.39 -2.24 -1.26 -4.87 114.28 109.62 1k25 n THR 3319Ca 0.39 -0.47 0.14 0.00 -2.27 0.00 0.00 64.05 61.84 1k25 n THR 3319Cb 0.32 -0.97 0.46 0.00 -2.10 0.00 0.00 70.33 68.05 1k25 n THR 3319CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1k25 h GLU 3320N -2.76 0.00 -1.16 -0.78 4.39 -2.03 -3.02 114.58 109.21 1k25 h GLU 3320Ca -0.62 0.00 -0.65 0.00 0.34 0.00 0.00 59.36 58.42 1k25 h GLU 3320Cb 1.34 0.00 -0.34 0.00 -0.10 0.00 0.00 28.75 29.66 1k25 h GLU 3320CO 0.48 0.00 0.32 -0.40 -1.16 0.00 0.00 179.01 178.25 1k25 n ASP 3321N -2.64 6.67 -4.76 1.42 5.75 -1.26 -4.99 116.55 116.75 1k25 n ASP 3321Ca 0.03 -3.78 -0.39 0.00 -0.01 0.00 0.00 54.79 50.64 1k25 n ASP 3321Cb 0.36 -0.78 -0.05 0.00 -1.03 0.00 0.00 41.12 39.61 1k25 n ASP 3321CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1k25 s PHE 3322N -3.79 3.69 -0.76 2.11 5.36 -1.14 -5.01 117.98 118.45 1k25 s PHE 3322Ca 0.57 1.27 -0.23 0.00 -0.96 0.00 0.00 56.93 57.58 1k25 s PHE 3322Cb 0.46 -2.66 0.07 0.00 -0.34 0.00 0.00 43.02 40.55 1k25 s PHE 3322CO -0.09 0.33 1.10 0.08 -1.46 0.00 0.00 175.22 175.18 1k25 s VAL 3323N -0.14 4.24 0.39 3.12 1.01 -1.26 -4.85 120.40 122.91 1k25 s VAL 3323Ca 0.33 -0.47 0.39 0.00 0.00 0.00 0.00 61.98 62.23 1k25 s VAL 3323Cb -0.19 -4.78 0.40 0.00 0.00 0.00 0.00 36.38 31.81 1k25 s VAL 3323CO 0.19 -1.59 2.17 -0.50 0.00 0.00 0.00 175.10 175.37 1k25 h TRP 3324N 9.55 0.00 -1.91 5.22 4.06 -2.00 -3.44 115.95 127.42 1k25 h TRP 3324Ca -0.16 0.00 -0.65 0.00 2.06 0.00 0.00 58.89 60.14 1k25 h TRP 3324Cb 1.05 0.00 0.04 0.00 -1.00 0.00 0.00 29.16 29.25 1k25 h TRP 3324CO 1.06 0.00 0.84 -2.13 -3.56 0.00 0.00 178.44 174.66 1k25 n ARG 3325N -2.93 1.73 -2.86 0.49 0.63 -1.26 -4.89 116.66 107.56 1k25 n ARG 3325Ca -0.02 0.63 -0.43 0.00 -0.92 0.00 0.00 57.85 57.11 1k25 n ARG 3325Cb 0.12 -2.38 -0.04 0.00 0.45 0.00 0.00 32.46 30.61 1k25 n ARG 3325CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1k25 s ASP 3326N 2.40 6.30 0.59 6.15 -1.08 -1.26 -4.88 116.67 124.88 1k25 s ASP 3326Ca 0.89 -0.49 0.29 0.00 -0.52 0.00 0.00 52.55 52.72 1k25 s ASP 3326Cb -0.83 -2.42 1.48 0.00 -1.46 0.00 0.00 42.92 39.69 1k25 s ASP 3326CO 0.50 -1.24 1.90 0.40 0.52 0.00 0.00 175.17 177.26 1k25 h ILE 3327N 6.00 0.38 0.52 4.11 2.04 -1.90 -2.38 117.51 126.29 1k25 h ILE 3327Ca -0.27 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.57 1k25 h ILE 3327Cb 1.07 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 1k25 h ILE 3327CO 1.09 0.00 -0.38 0.25 0.00 0.00 0.00 178.15 179.11 1k25 h LEU 3328N 0.00 -1.00 -1.75 1.44 5.85 -1.94 -3.36 115.31 114.55 1k25 h LEU 3328Ca 0.22 0.07 0.00 0.00 0.84 0.00 0.00 57.88 59.01 1k25 h LEU 3328Cb 1.18 0.31 0.00 0.00 0.37 0.00 0.00 40.66 42.52 1k25 h LEU 3328CO -0.00 -0.55 0.00 0.00 -0.34 0.00 0.00 178.44 177.55 1k25 n TYR 3329N -4.76 0.10 -1.93 1.25 4.11 -1.17 -2.25 117.16 112.52 1k25 n TYR 3329Ca -0.11 -0.10 -0.11 0.00 -0.00 0.00 0.00 57.90 57.58 1k25 n TYR 3329Cb 0.37 -0.01 0.09 0.00 -0.00 0.00 0.00 39.34 39.80 1k25 n TYR 3329CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.86 177.90 1k25 n GLN 3330N 0.65 2.69 -3.72 -3.48 6.02 -0.91 0.37 117.38 119.00 1k25 n GLN 3330Ca 0.08 -3.76 -0.12 0.00 -0.01 0.00 0.00 57.00 53.19 1k25 n GLN 3330Cb 0.33 -1.94 -0.12 0.00 1.02 0.00 0.00 30.24 29.53 1k25 n GLN 3330CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1k25 s SER 3331N -3.43 -0.36 -0.21 1.08 0.15 -1.26 -4.84 113.70 104.82 1k25 s SER 3331Ca 0.45 0.66 -0.09 0.00 0.70 0.00 0.00 55.95 57.67 1k25 s SER 3331Cb 0.39 0.57 -0.04 0.00 -1.71 0.00 0.00 66.02 65.22 1k25 s SER 3331CO -0.01 -0.17 0.10 0.20 1.20 0.00 0.00 173.24 174.57 1k25 s ASN 3332N 1.14 5.78 0.17 5.45 0.02 -1.26 -4.37 114.94 121.86 1k25 s ASN 3332Ca -0.08 0.06 -0.05 0.00 -1.02 0.00 0.00 52.86 51.78 1k25 s ASN 3332Cb -0.08 -2.02 -0.03 0.00 0.02 0.00 0.00 41.25 39.14 1k25 s ASN 3332CO -0.09 0.11 0.19 -0.72 0.02 0.00 0.00 177.10 176.61 1k25 s TYR 3333N 0.79 0.73 -0.48 2.20 1.13 -1.10 -4.93 117.35 115.69 1k25 s TYR 3333Ca 0.05 -1.06 -0.20 0.00 -1.41 0.00 0.00 57.07 54.45 1k25 s TYR 3333Cb -0.13 -0.30 0.04 0.00 -1.10 0.00 0.00 41.96 40.48 1k25 s TYR 3333CO 0.02 -0.66 0.63 -1.21 -2.51 0.00 0.00 175.55 171.83 1k25 s GLU 3334N -4.04 3.18 0.65 -3.49 2.02 -1.26 -2.36 118.70 113.39 1k25 s GLU 3334Ca 0.25 -0.67 0.18 0.00 0.02 0.00 0.00 54.97 54.75 1k25 s GLU 3334Cb 0.05 -4.03 0.90 0.00 0.10 0.00 0.00 34.13 31.14 1k25 s GLU 3334CO 0.04 -1.14 1.48 -1.35 0.02 0.00 0.00 175.26 174.32 1k25 h PRO 3335N 8.95 0.00 0.00 0.39 0.11 -1.77 -3.43 132.00 136.26 1k25 h PRO 3335Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1k25 h PRO 3335Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1k25 h PRO 3335CO 0.93 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 179.13 1k25 n GLY 3336N -1.44 3.06 0.47 -0.55 0.00 -0.53 -2.02 105.19 104.18 1k25 n GLY 3336Ca 0.04 0.28 0.14 0.00 0.00 0.00 0.00 46.02 46.47 1k25 n GLY 3336CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1k25 n SER 3337N 9.33 1.54 0.04 1.61 7.64 -1.20 -1.32 113.62 131.25 1k25 n SER 3337Ca 0.00 -1.42 -0.13 0.00 1.01 0.00 0.00 58.87 58.34 1k25 n SER 3337Cb 0.00 0.04 -0.09 0.00 -1.01 0.00 0.00 64.21 63.15 1k25 n SER 3337CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1k25 h ALA 3338N 4.24 -0.14 0.00 -0.43 0.00 -1.75 -3.16 119.26 118.02 1k25 h ALA 3338Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1k25 h ALA 3338Cb 0.55 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1k25 h ALA 3338CO 0.00 -0.33 0.58 -0.12 0.00 0.00 0.00 179.25 179.38 1k25 n MET 3339N -4.93 0.01 0.07 0.00 0.00 -1.25 -1.33 117.12 109.68 1k25 n MET 3339Ca -0.09 0.16 0.13 0.00 0.00 0.00 0.00 57.70 57.90 1k25 n MET 3339Cb 0.26 -2.09 0.47 0.00 0.00 0.00 0.00 33.22 31.86 1k25 n MET 3339CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 1k25 n LYS 3340N -1.25 0.16 0.00 2.12 5.02 -1.19 -2.74 118.16 120.28 1k25 n LYS 3340Ca -0.00 0.18 0.06 0.00 -2.02 0.00 0.00 58.31 56.53 1k25 n LYS 3340Cb 0.58 -1.70 0.33 0.00 -0.02 0.00 0.00 35.03 34.22 1k25 n LYS 3340CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1k25 n VAL 3341N -1.99 0.60 -0.03 -0.18 0.31 -0.44 -2.18 118.33 114.42 1k25 n VAL 3341Ca 0.05 0.15 -0.08 0.00 -0.01 0.00 0.00 64.34 64.46 1k25 n VAL 3341Cb 0.36 -0.94 -0.03 0.00 -0.91 0.00 0.00 33.84 32.33 1k25 n VAL 3341CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 1k25 n MET 3342N -1.26 0.16 -0.22 5.55 2.81 -1.11 -3.98 117.12 119.08 1k25 n MET 3342Ca 0.06 0.07 0.15 0.00 -1.81 0.00 0.00 57.70 56.17 1k25 n MET 3342Cb 0.10 -0.78 0.46 0.00 -0.71 0.00 0.00 33.22 32.29 1k25 n MET 3342CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 1k25 h THR 3343N -0.28 0.79 0.00 2.03 1.35 -1.51 3.05 112.91 118.33 1k25 h THR 3343Ca -0.18 -0.18 -0.08 0.00 -0.55 0.00 0.00 66.41 65.42 1k25 h THR 3343Cb 1.09 0.22 -0.01 0.00 -1.73 0.00 0.00 68.15 67.73 1k25 h THR 3343CO -0.11 0.09 -0.42 0.25 -0.25 0.00 0.00 175.52 175.08 1k25 h LEU 3344N 0.52 0.00 -0.01 3.87 5.85 -1.70 0.15 115.31 123.99 1k25 h LEU 3344Ca 0.42 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.94 1k25 h LEU 3344Cb 0.86 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.86 1k25 h LEU 3344CO -0.16 0.36 -0.92 0.00 -0.34 0.00 0.00 178.44 177.37 1k25 h ALA 3345N 1.64 0.40 0.11 1.25 0.00 0.80 -2.85 119.26 120.62 1k25 h ALA 3345Ca -0.01 -0.84 -0.27 0.00 0.00 0.00 0.00 54.91 53.79 1k25 h ALA 3345Cb 1.28 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.93 1k25 h ALA 3345CO 0.05 1.15 -1.20 0.77 0.00 0.00 0.00 179.25 180.01 1k25 h SER 3346N 0.00 0.45 -0.47 0.00 0.02 0.53 -2.81 113.55 111.26 1k25 h SER 3346Ca -0.01 -0.46 -0.12 0.00 -0.84 0.00 0.00 61.79 60.36 1k25 h SER 3346Cb 1.71 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 64.09 1k25 h SER 3346CO 0.12 1.34 -0.17 -1.28 -1.14 0.00 0.00 176.83 175.71 1k25 h SER 3347N 0.10 0.99 0.16 3.07 0.87 -0.75 -0.52 113.55 117.47 1k25 h SER 3347Ca -0.13 -0.35 -0.01 0.00 -1.23 0.00 0.00 61.79 60.07 1k25 h SER 3347Cb 1.92 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 63.61 1k25 h SER 3347CO 0.20 1.13 -0.08 0.40 -0.53 0.00 0.00 176.83 177.96 1k25 h ILE 3348N 0.85 0.97 -0.24 2.23 2.04 -1.59 -2.85 117.51 118.94 1k25 h ILE 3348Ca 0.12 -0.86 0.06 0.00 1.00 0.00 0.00 64.86 65.19 1k25 h ILE 3348Cb 0.73 1.47 -0.07 0.00 -0.74 0.00 0.00 36.82 38.22 1k25 h ILE 3348CO 0.06 0.19 -0.23 -0.78 0.00 0.00 0.00 178.15 177.39 1k25 h ASP 3349N -0.65 -0.72 0.00 1.72 3.58 -1.49 0.54 116.42 119.40 1k25 h ASP 3349Ca -0.02 0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.56 1k25 h ASP 3349Cb 0.48 0.34 0.00 0.00 1.72 0.00 0.00 39.33 41.87 1k25 h ASP 3349CO 0.04 -0.26 0.00 -3.20 -2.88 0.00 0.00 179.24 172.93 1k25 n ASN 3350N -5.37 0.14 0.00 2.28 5.15 -0.21 -4.79 115.26 112.48 1k25 n ASN 3350Ca -0.01 -0.98 0.00 0.00 -0.60 0.00 0.00 54.58 52.99 1k25 n ASN 3350Cb 0.28 -0.07 0.00 0.00 -0.53 0.00 0.00 39.78 39.46 1k25 n ASN 3350CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1k25 n ASN 3351N -0.28 0.00 -3.54 1.20 2.85 0.19 -4.70 115.26 110.97 1k25 n ASN 3351Ca 0.00 0.00 -0.21 0.00 -0.11 0.00 0.00 54.58 54.26 1k25 n ASN 3351Cb 0.04 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 41.00 1k25 n ASN 3351CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 1k25 n THR 3352N 0.00 0.00 -3.51 -0.44 -2.24 -1.14 -4.73 114.28 102.22 1k25 n THR 3352Ca 0.00 -0.13 -0.42 0.00 -2.27 0.00 0.00 64.05 61.23 1k25 n THR 3352Cb 0.00 -1.20 -0.10 0.00 -2.10 0.00 0.00 70.33 66.93 1k25 n THR 3352CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1k25 s PHE 3353N 5.03 3.25 0.03 4.78 5.36 -1.21 -4.59 117.98 130.63 1k25 s PHE 3353Ca 0.32 -0.83 -0.06 0.00 -0.96 0.00 0.00 56.93 55.40 1k25 s PHE 3353Cb 0.07 -2.64 -0.04 0.00 -0.34 0.00 0.00 43.02 40.07 1k25 s PHE 3353CO 0.16 -0.66 0.14 -2.30 -1.46 0.00 0.00 175.22 171.10 1k25 n PRO 3354N 5.09 0.00 -3.02 10.12 -0.02 -1.26 -4.90 135.00 141.01 1k25 n PRO 3354Ca -0.11 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.06 1k25 n PRO 3354Cb 0.46 -0.23 -0.04 0.00 -0.02 0.00 0.00 33.50 33.67 1k25 n PRO 3354CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1k25 s SER 3355N -0.13 6.53 0.13 2.55 0.15 -1.26 -4.92 113.70 116.75 1k25 s SER 3355Ca 0.14 1.03 -0.08 0.00 0.70 0.00 0.00 55.95 57.75 1k25 s SER 3355Cb -0.21 -2.28 0.17 0.00 -1.71 0.00 0.00 66.02 61.99 1k25 s SER 3355CO 0.11 -0.32 0.83 0.61 1.20 0.00 0.00 173.24 175.67 1k25 n GLY 3356N -1.07 -1.03 0.12 9.45 0.00 -1.26 0.20 105.19 111.59 1k25 n GLY 3356Ca 0.01 0.59 -0.12 0.00 0.00 0.00 0.00 46.02 46.50 1k25 n GLY 3356CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1k25 h GLU 3357N 0.00 -0.18 -1.12 1.61 -0.00 -2.02 -3.31 114.58 109.55 1k25 h GLU 3357Ca 0.21 0.01 0.36 0.00 -0.00 0.00 0.00 59.36 59.94 1k25 h GLU 3357Cb 0.34 0.04 -0.08 0.00 -0.00 0.00 0.00 28.75 29.05 1k25 h GLU 3357CO -0.54 0.26 0.75 0.98 -0.00 0.00 0.00 179.01 180.47 1k25 n TYR 3358N -4.93 0.33 -0.23 2.06 9.36 0.13 0.15 117.16 124.02 1k25 n TYR 3358Ca -0.08 0.33 -0.05 0.00 3.32 0.00 0.00 57.90 61.41 1k25 n TYR 3358Cb 0.27 -0.71 0.05 0.00 -0.63 0.00 0.00 39.34 38.32 1k25 n TYR 3358CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 1k25 h PHE 3359N 0.00 0.80 0.00 2.98 -1.00 -1.62 -3.47 116.94 114.63 1k25 h PHE 3359Ca 0.63 0.02 -0.05 0.00 2.81 0.00 0.00 57.97 61.39 1k25 h PHE 3359Cb 2.23 -0.27 0.01 0.00 3.61 0.00 0.00 35.95 41.53 1k25 h PHE 3359CO -0.00 0.50 0.42 0.27 -1.61 0.00 0.00 178.31 177.89 1k25 n ASN 3360N -4.65 -0.45 0.00 2.17 0.23 0.39 -5.10 115.26 107.85 1k25 n ASN 3360Ca 0.05 -0.73 0.00 0.00 -0.53 0.00 0.00 54.58 53.37 1k25 n ASN 3360Cb 0.02 -0.06 0.00 0.00 -2.08 0.00 0.00 39.78 37.66 1k25 n ASN 3360CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1k25 n ASN 3397N 3.67 0.00 -0.09 0.53 3.02 -1.26 -5.20 115.26 115.93 1k25 n ASN 3397Ca 0.04 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.46 1k25 n ASN 3397Cb 0.17 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.33 1k25 n ASN 3397CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1k25 h VAL 3398N 0.00 1.28 0.34 2.41 2.07 -2.03 -2.83 116.25 117.49 1k25 h VAL 3398Ca 0.00 -1.59 -0.02 0.00 0.82 0.00 0.00 66.70 65.91 1k25 h VAL 3398Cb 0.00 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1k25 h VAL 3398CO 0.00 0.53 -0.16 1.23 0.02 0.00 0.00 177.57 179.18 1k25 h GLY 3399N 0.82 -0.48 0.95 2.17 0.00 -1.98 0.14 103.07 104.68 1k25 h GLY 3399Ca 0.05 0.18 -0.02 0.00 0.00 0.00 0.00 47.33 47.54 1k25 h GLY 3399CO 0.10 -0.17 0.18 -0.33 0.00 0.00 0.00 176.54 176.31 1k25 h MET 3400N -0.57 0.61 -0.76 4.80 2.86 -1.85 0.41 114.93 120.44 1k25 h MET 3400Ca -0.05 -0.10 0.13 0.00 -2.06 0.00 0.00 59.70 57.63 1k25 h MET 3400Cb 0.42 -0.10 -0.05 0.00 0.06 0.00 0.00 31.60 31.93 1k25 h MET 3400CO 0.08 0.55 0.50 1.03 1.06 0.00 0.00 176.91 180.13 1k25 h SER 3401N 0.52 0.45 0.09 1.22 0.87 -1.43 -2.22 113.55 113.06 1k25 h SER 3401Ca 0.14 0.02 -0.13 0.00 -1.23 0.00 0.00 61.79 60.59 1k25 h SER 3401Cb 0.16 -0.07 0.01 0.00 -0.44 0.00 0.00 62.40 62.07 1k25 h SER 3401CO -0.01 0.24 -0.57 -0.07 -0.53 0.00 0.00 176.83 175.89 1k25 h LEU 3402N 0.49 0.30 -2.10 2.23 3.38 0.32 -3.23 115.31 116.71 1k25 h LEU 3402Ca 0.37 -0.96 0.00 0.00 0.09 0.00 0.00 57.88 57.38 1k25 h LEU 3402Cb 0.74 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1k25 h LEU 3402CO -0.13 1.27 0.24 -0.07 0.09 0.00 0.00 178.44 179.84 1k25 h LEU 3403N -0.59 0.00 -0.06 1.67 3.38 0.28 0.56 115.31 120.55 1k25 h LEU 3403Ca -0.10 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.64 1k25 h LEU 3403Cb 1.43 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.17 1k25 h LEU 3403CO 0.09 0.00 -1.04 -0.08 0.09 0.00 0.00 178.44 177.50 1k25 h GLU 3404N 0.00 0.19 0.02 1.13 4.22 -1.44 -2.53 114.58 116.17 1k25 h GLU 3404Ca 0.00 -0.27 -0.24 0.00 0.08 0.00 0.00 59.36 58.94 1k25 h GLU 3404Cb 0.47 0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.82 1k25 h GLU 3404CO 0.00 1.07 -0.99 1.96 -2.18 0.00 0.00 179.01 178.87 1k25 h GLN 3405N 0.08 0.43 0.11 1.92 1.08 0.05 0.87 115.11 119.63 1k25 h GLN 3405Ca -0.07 -0.48 -0.01 0.00 -1.45 0.00 0.00 58.65 56.64 1k25 h GLN 3405Cb 1.74 0.14 0.00 0.00 -0.05 0.00 0.00 27.48 29.31 1k25 h GLN 3405CO 0.16 1.14 -0.05 0.87 -0.95 0.00 0.00 178.83 180.00 1k25 h LYS 3406N 0.23 -0.14 0.00 1.46 6.56 -1.39 -3.35 116.57 119.94 1k25 h LYS 3406Ca -0.09 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.51 1k25 h LYS 3406Cb 1.64 0.03 0.00 0.00 -0.57 0.00 0.00 32.23 33.33 1k25 h LYS 3406CO 0.17 0.05 0.00 -1.33 -2.06 0.00 0.00 179.45 176.28 1k25 n MET 3407N -5.08 0.00 0.00 3.15 2.81 -0.95 -5.02 117.12 112.02 1k25 n MET 3407Ca -0.08 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.81 1k25 n MET 3407Cb 0.14 -0.65 0.00 0.00 -0.71 0.00 0.00 33.22 32.01 1k25 n MET 3407CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1k25 n GLY 3408N 0.13 4.22 0.12 3.03 0.00 0.30 -4.77 105.19 108.22 1k25 n GLY 3408Ca 0.00 -0.95 0.05 0.00 0.00 0.00 0.00 46.02 45.11 1k25 n GLY 3408CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1k25 n ASP 3409N 0.00 -0.05 0.09 1.61 9.92 -1.26 0.23 116.55 127.09 1k25 n ASP 3409Ca 0.00 0.58 -0.08 0.00 -0.53 0.00 0.00 54.79 54.76 1k25 n ASP 3409Cb 0.00 -0.21 -0.00 0.00 -0.64 0.00 0.00 41.12 40.27 1k25 n ASP 3409CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1k25 h ALA 3410N 0.68 0.54 0.00 2.24 0.00 -1.95 -2.84 119.26 117.93 1k25 h ALA 3410Ca 0.20 -0.72 -0.15 0.00 0.00 0.00 0.00 54.91 54.24 1k25 h ALA 3410Cb 0.40 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1k25 h ALA 3410CO -0.33 0.93 -0.70 1.15 0.00 0.00 0.00 179.25 180.30 1k25 h THR 3411N 0.09 1.31 0.00 0.00 2.02 0.26 -1.76 112.91 114.84 1k25 h THR 3411Ca -0.04 -2.56 0.00 0.00 0.77 0.00 0.00 66.41 64.59 1k25 h THR 3411Cb 1.49 2.46 0.00 0.00 -1.74 0.00 0.00 68.15 70.36 1k25 h THR 3411CO 0.13 0.68 -0.94 1.87 0.37 0.00 0.00 175.52 177.63 1k25 n TRP 3412N -3.43 0.70 0.05 3.16 -0.00 -0.63 -2.82 117.44 114.48 1k25 n TRP 3412Ca 0.00 0.20 -0.10 0.00 -0.00 0.00 0.00 57.50 57.60 1k25 n TRP 3412Cb 0.75 -0.77 -0.13 0.00 -0.00 0.00 0.00 31.31 31.16 1k25 n TRP 3412CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 177.69 178.94 1k25 h LEU 3413N 0.00 0.13 -0.35 5.87 6.46 -1.50 -3.06 115.31 122.86 1k25 h LEU 3413Ca 0.00 -0.17 -0.18 0.00 -0.12 0.00 0.00 57.88 57.41 1k25 h LEU 3413Cb 0.89 -0.04 -0.00 0.00 -0.73 0.00 0.00 40.66 40.77 1k25 h LEU 3413CO 0.00 1.13 -0.57 -0.78 -0.62 0.00 0.00 178.44 177.61 1k25 h ASP 3414N 0.02 0.87 0.68 1.25 3.58 -1.38 -2.50 116.42 118.94 1k25 h ASP 3414Ca -0.12 -0.48 0.00 0.00 0.42 0.00 0.00 57.03 56.86 1k25 h ASP 3414Cb 1.89 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 42.68 1k25 h ASP 3414CO 0.14 1.25 0.00 1.88 -2.88 0.00 0.00 179.24 179.63 1k25 h TYR 3415N 0.59 0.00 0.17 0.28 0.05 -1.58 -2.33 116.97 114.16 1k25 h TYR 3415Ca 0.01 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.78 1k25 h TYR 3415Cb 1.16 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.90 1k25 h TYR 3415CO 0.07 0.00 -0.08 -0.07 -1.05 0.00 0.00 178.16 177.02 1k25 h LEU 3416N 0.00 -0.20 -1.73 3.88 3.38 -1.35 -3.05 115.31 116.24 1k25 h LEU 3416Ca 0.00 -0.20 0.09 0.00 0.09 0.00 0.00 57.88 57.86 1k25 h LEU 3416Cb 0.34 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 1k25 h LEU 3416CO 0.00 0.35 0.34 0.11 0.09 0.00 0.00 178.44 179.33 1k25 h LYS 3417N -1.00 0.31 -0.17 1.13 1.57 -1.31 0.15 116.57 117.25 1k25 h LYS 3417Ca -0.02 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.67 1k25 h LYS 3417Cb 0.38 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 1k25 h LYS 3417CO 0.04 0.20 -0.20 0.00 -0.57 0.00 0.00 179.45 178.93 1k25 h ARG 3418N 0.32 0.29 -0.01 3.15 3.08 -1.50 0.37 114.38 120.08 1k25 h ARG 3418Ca 0.23 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1k25 h ARG 3418Cb 0.49 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.51 1k25 h ARG 3418CO -0.05 0.48 0.00 1.19 -1.07 0.00 0.00 179.97 180.52 1k25 n PHE 3419N -4.20 0.01 -1.16 3.04 3.72 0.41 -4.43 117.46 114.85 1k25 n PHE 3419Ca -0.01 -0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.34 1k25 n PHE 3419Cb 0.33 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.85 1k25 n PHE 3419CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1k25 n LYS 3420N -0.45 -1.38 -1.63 -1.08 5.02 0.13 -4.71 118.16 114.06 1k25 n LYS 3420Ca 0.21 0.61 -0.41 0.00 -2.02 0.00 0.00 58.31 56.70 1k25 n LYS 3420Cb 0.22 -4.76 0.02 0.00 -0.02 0.00 0.00 35.03 30.48 1k25 n LYS 3420CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1k25 n PHE 3421N -2.34 1.37 -0.59 2.13 3.72 -1.11 -1.53 117.46 119.10 1k25 n PHE 3421Ca -0.05 0.53 0.00 0.00 -0.05 0.00 0.00 57.45 57.88 1k25 n PHE 3421Cb 0.43 -2.26 0.00 0.00 -0.94 0.00 0.00 39.48 36.71 1k25 n PHE 3421CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1k25 n GLY 3422N 1.11 0.93 2.73 1.37 0.00 -1.26 -4.64 105.19 105.43 1k25 n GLY 3422Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 1k25 n GLY 3422CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k25 s VAL 3423N -3.24 0.63 -0.11 1.61 1.01 -0.58 -4.72 120.40 115.00 1k25 s VAL 3423Ca 0.00 -0.86 -0.26 0.00 0.00 0.00 0.00 61.98 60.86 1k25 s VAL 3423Cb 0.00 -1.26 -0.12 0.00 0.00 0.00 0.00 36.38 35.00 1k25 s VAL 3423CO 0.00 -0.39 0.77 -2.65 0.00 0.00 0.00 175.10 172.83 1k25 n PRO 3424N 4.99 0.00 0.20 2.72 -0.02 -1.25 -4.85 135.00 136.78 1k25 n PRO 3424Ca -0.07 0.00 0.14 0.00 -2.02 0.00 0.00 63.50 61.55 1k25 n PRO 3424Cb 0.45 -0.92 0.71 0.00 -0.02 0.00 0.00 33.50 33.72 1k25 n PRO 3424CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1k25 h THR 3425N 2.26 0.00 -6.93 3.45 1.35 -1.90 -3.45 112.91 107.68 1k25 h THR 3425Ca -0.30 -0.10 -0.55 0.00 -0.55 0.00 0.00 66.41 64.91 1k25 h THR 3425Cb 0.86 0.79 -0.12 0.00 -1.73 0.00 0.00 68.15 67.95 1k25 h THR 3425CO 0.47 0.00 -0.88 0.54 -0.25 0.00 0.00 175.52 175.39 1k25 n ARG 3426N -2.50 -0.68 0.23 4.72 1.74 -1.26 -4.75 116.66 114.16 1k25 n ARG 3426Ca -0.01 0.04 0.11 0.00 -0.77 0.00 0.00 57.85 57.23 1k25 n ARG 3426Cb 0.11 -2.75 0.47 0.00 -1.02 0.00 0.00 32.46 29.26 1k25 n ARG 3426CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1k25 h PHE 3427N -1.72 0.00 0.00 -1.55 -0.00 -1.88 -3.42 116.94 108.36 1k25 h PHE 3427Ca -0.61 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.36 1k25 h PHE 3427Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.20 1k25 h PHE 3427CO 0.41 0.18 0.00 0.41 -0.00 0.00 0.00 178.31 179.32 1k25 n GLY 3428N 0.23 2.94 3.77 6.09 0.00 -1.26 -4.80 105.19 112.15 1k25 n GLY 3428Ca 0.00 -0.40 -0.36 0.00 0.00 0.00 0.00 46.02 45.27 1k25 n GLY 3428CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k25 s LEU 3429N 0.00 3.77 0.75 0.99 1.43 -1.26 -4.77 118.68 119.59 1k25 s LEU 3429Ca 0.00 2.28 -0.11 0.00 -1.03 0.00 0.00 54.13 55.27 1k25 s LEU 3429Cb 0.00 -4.52 0.04 0.00 0.03 0.00 0.00 46.19 41.74 1k25 s LEU 3429CO 0.00 -1.29 1.08 0.42 0.23 0.00 0.00 176.35 176.79 1k25 s THR 3430N -1.67 3.51 -1.42 5.49 -4.23 -1.26 -4.19 115.64 111.88 1k25 s THR 3430Ca 0.73 0.49 -0.06 0.00 -1.18 0.00 0.00 61.69 61.66 1k25 s THR 3430Cb -0.27 -3.25 0.03 0.00 1.34 0.00 0.00 72.50 70.35 1k25 s THR 3430CO 0.31 -0.64 0.52 0.47 -0.54 0.00 0.00 174.62 174.74 1k25 n ASP 3431N -3.27 -4.98 -4.75 3.99 8.00 -1.26 -4.97 116.55 109.31 1k25 n ASP 3431Ca 0.07 -0.31 -0.36 0.00 0.71 0.00 0.00 54.79 54.90 1k25 n ASP 3431Cb 0.55 -4.07 0.04 0.00 -0.02 0.00 0.00 41.12 37.63 1k25 n ASP 3431CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1k25 s GLU 3432N -5.80 2.89 0.19 -1.24 2.12 -1.26 -4.70 118.70 110.90 1k25 s GLU 3432Ca 0.33 1.90 -0.07 0.00 0.36 0.00 0.00 54.97 57.48 1k25 s GLU 3432Cb -0.16 -1.93 -0.06 0.00 0.26 0.00 0.00 34.13 32.24 1k25 s GLU 3432CO 0.41 -1.29 0.47 0.71 -0.54 0.00 0.00 175.26 175.02 1k25 s TYR 3433N -1.53 3.45 0.07 5.30 1.51 0.16 -4.96 117.35 121.35 1k25 s TYR 3433Ca 0.78 0.72 -0.36 0.00 -1.01 0.00 0.00 57.07 57.21 1k25 s TYR 3433Cb -0.32 -2.14 -0.19 0.00 -0.11 0.00 0.00 41.96 39.20 1k25 s TYR 3433CO 0.35 0.35 1.58 0.00 -1.11 0.00 0.00 175.55 176.72 1k25 h ALA 3434N 2.69 -1.15 0.00 3.71 0.00 -1.94 -3.42 119.26 119.14 1k25 h ALA 3434Ca -0.46 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1k25 h ALA 3434Cb 1.17 0.56 0.00 0.00 0.00 0.00 0.00 17.79 19.52 1k25 h ALA 3434CO 0.71 -1.17 0.00 0.41 0.00 0.00 0.00 179.25 179.20 1k25 n GLY 3435N -1.59 -0.82 3.63 0.00 0.00 -1.26 -3.70 105.19 101.45 1k25 n GLY 3435Ca -0.14 -1.68 -0.04 0.00 0.00 0.00 0.00 46.02 44.17 1k25 n GLY 3435CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1k25 s GLN 3436N -1.87 0.49 0.84 1.61 0.74 1.16 -4.59 119.66 118.03 1k25 s GLN 3436Ca 0.00 0.87 -0.12 0.00 0.05 0.00 0.00 55.36 56.17 1k25 s GLN 3436Cb 0.00 0.14 0.10 0.00 1.10 0.00 0.00 33.01 34.35 1k25 s GLN 3436CO 0.00 -0.11 1.16 -0.51 -0.55 0.00 0.00 175.29 175.28 1k25 s LEU 3437N 1.54 3.02 0.78 3.68 2.01 -1.26 0.03 118.68 128.47 1k25 s LEU 3437Ca -0.09 2.19 -0.14 0.00 0.01 0.00 0.00 54.13 56.10 1k25 s LEU 3437Cb -0.04 -4.57 0.05 0.00 0.01 0.00 0.00 46.19 41.64 1k25 s LEU 3437CO -0.17 -2.69 1.12 -0.81 1.01 0.00 0.00 176.35 174.82 1k25 n PRO 3438N -3.66 0.33 -0.60 1.29 -0.04 -1.24 -4.78 135.00 126.31 1k25 n PRO 3438Ca 0.12 0.18 -0.30 0.00 -0.04 0.00 0.00 63.50 63.47 1k25 n PRO 3438Cb 0.52 -2.37 0.21 0.00 -0.04 0.00 0.00 33.50 31.82 1k25 n PRO 3438CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1k25 s ALA 3439N -1.99 0.48 -1.45 0.55 0.00 -1.26 -4.84 121.76 113.25 1k25 s ALA 3439Ca 0.74 0.26 -0.09 0.00 0.00 0.00 0.00 51.96 52.87 1k25 s ALA 3439Cb -0.31 -3.36 0.04 0.00 0.00 0.00 0.00 23.12 19.49 1k25 s ALA 3439CO 0.50 -3.33 2.49 -3.47 0.00 0.00 0.00 175.76 171.94 1k25 n ASP 3440N -4.60 7.11 -4.00 0.00 2.03 -1.26 -4.39 116.55 111.44 1k25 n ASP 3440Ca 0.08 -2.88 -0.09 0.00 0.52 0.00 0.00 54.79 52.41 1k25 n ASP 3440Cb 0.53 -1.50 -0.08 0.00 -0.72 0.00 0.00 41.12 39.35 1k25 n ASP 3440CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1k25 s ASN 3441N 1.58 0.17 0.38 1.67 2.20 -1.26 -5.06 114.94 114.62 1k25 s ASN 3441Ca 0.56 -0.93 0.14 0.00 -0.94 0.00 0.00 52.86 51.69 1k25 s ASN 3441Cb 0.16 0.36 0.77 0.00 -2.00 0.00 0.00 41.25 40.54 1k25 s ASN 3441CO -0.07 -0.79 1.84 0.16 -2.94 0.00 0.00 177.10 175.30 1k25 h ILE 3442N 2.72 1.20 -0.06 0.54 3.07 -1.98 -2.36 117.51 120.64 1k25 h ILE 3442Ca -0.33 -1.22 -0.05 0.00 1.55 0.00 0.00 64.86 64.81 1k25 h ILE 3442Cb 1.21 1.67 0.00 0.00 -0.27 0.00 0.00 36.82 39.43 1k25 h ILE 3442CO 0.54 0.34 -0.14 0.58 -1.05 0.00 0.00 178.15 178.42 1k25 h VAL 3443N 0.00 1.43 0.00 0.16 2.07 -1.97 -2.34 116.25 115.59 1k25 h VAL 3443Ca -0.00 -1.49 -0.11 0.00 0.82 0.00 0.00 66.70 65.91 1k25 h VAL 3443Cb 0.64 2.26 -0.02 0.00 -1.52 0.00 0.00 31.29 32.66 1k25 h VAL 3443CO 0.05 0.41 -0.54 0.77 0.02 0.00 0.00 177.57 178.28 1k25 h SER 3444N -0.31 0.00 0.75 0.57 4.64 -1.86 0.67 113.55 118.01 1k25 h SER 3444Ca -0.00 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.14 1k25 h SER 3444Cb 0.74 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.81 1k25 h SER 3444CO 0.03 0.54 -0.82 0.40 -0.87 0.00 0.00 176.83 176.12 1k25 h ILE 3445N 0.00 1.56 -0.03 0.95 2.04 -1.54 -1.40 117.51 119.09 1k25 h ILE 3445Ca -0.01 -2.71 -0.15 0.00 1.00 0.00 0.00 64.86 63.00 1k25 h ILE 3445Cb 1.41 2.47 0.01 0.00 -0.74 0.00 0.00 36.82 39.97 1k25 h ILE 3445CO 0.07 0.78 -0.55 0.00 0.00 0.00 0.00 178.15 178.45 1k25 h ALA 3446N 1.15 0.10 -0.37 1.87 0.00 -1.33 -3.21 119.26 117.48 1k25 h ALA 3446Ca -0.02 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.33 1k25 h ALA 3446Cb 1.43 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.23 1k25 h ALA 3446CO 0.11 0.34 0.14 1.96 0.00 0.00 0.00 179.25 181.80 1k25 h GLN 3447N -0.07 0.52 -0.99 0.00 4.20 -0.78 -2.60 115.11 115.39 1k25 h GLN 3447Ca -0.06 -0.07 0.25 0.00 0.06 0.00 0.00 58.65 58.83 1k25 h GLN 3447Cb 1.25 -0.10 -0.13 0.00 0.30 0.00 0.00 27.48 28.80 1k25 h GLN 3447CO 0.11 0.44 0.56 0.77 -0.67 0.00 0.00 178.83 180.04 1k25 h SER 3448N 0.52 0.60 0.00 1.46 0.02 -0.88 0.21 113.55 115.48 1k25 h SER 3448Ca 0.13 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 1k25 h SER 3448Cb 0.12 0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.72 1k25 h SER 3448CO -0.01 0.06 0.24 0.77 -1.14 0.00 0.00 176.83 176.74 1k25 h SER 3449N 0.52 0.00 -0.17 3.07 4.64 -1.58 -0.22 113.55 119.81 1k25 h SER 3449Ca 0.64 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.78 1k25 h SER 3449Cb 1.25 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 63.05 1k25 h SER 3449CO -0.50 0.00 -0.89 2.22 -0.87 0.00 0.00 176.83 176.79 1k25 n PHE 3450N -2.34 0.56 -1.00 4.77 1.16 0.72 -4.65 117.46 116.67 1k25 n PHE 3450Ca -0.01 -1.27 0.00 0.00 -1.87 0.00 0.00 57.45 54.29 1k25 n PHE 3450Cb 0.27 -0.21 0.00 0.00 -1.61 0.00 0.00 39.48 37.93 1k25 n PHE 3450CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1k25 n GLY 3451N -0.27 0.46 3.76 4.97 0.00 -0.10 -4.00 105.19 110.00 1k25 n GLY 3451Ca 0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.91 1k25 n GLY 3451CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1k25 s GLN 3452N -0.21 2.25 0.00 1.61 -1.52 -1.09 -1.45 119.66 119.25 1k25 s GLN 3452Ca 0.00 -1.84 0.00 0.00 -1.95 0.00 0.00 55.36 51.57 1k25 s GLN 3452Cb 0.00 -2.01 0.00 0.00 -0.22 0.00 0.00 33.01 30.78 1k25 s GLN 3452CO 0.00 -0.15 0.00 0.41 -0.25 0.00 0.00 175.29 175.30 1k25 n GLY 3453N -1.29 0.24 2.98 3.09 0.00 -1.26 -2.40 105.19 106.56 1k25 n GLY 3453Ca -0.01 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.85 1k25 n GLY 3453CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1k25 s ILE 3454N -1.71 0.49 -0.14 -0.61 2.07 -1.26 -3.64 121.20 116.40 1k25 s ILE 3454Ca 0.00 -0.32 -0.00 0.00 -1.41 0.00 0.00 60.65 58.92 1k25 s ILE 3454Cb 0.00 -0.43 -0.01 0.00 0.13 0.00 0.00 42.46 42.15 1k25 s ILE 3454CO 0.00 0.11 -0.14 -0.94 -1.91 0.00 0.00 174.94 172.06 1k25 s SER 3455N -0.24 3.89 0.14 4.50 1.04 0.10 -4.39 113.70 118.74 1k25 s SER 3455Ca 0.02 -0.38 -0.00 0.00 0.48 0.00 0.00 55.95 56.07 1k25 s SER 3455Cb -0.03 -1.60 -0.04 0.00 0.10 0.00 0.00 66.02 64.45 1k25 s SER 3455CO -0.00 0.13 0.03 0.68 0.98 0.00 0.00 173.24 175.06 1k25 s VAL 3456N 0.54 0.31 0.00 5.02 -7.23 -1.00 0.37 120.40 118.41 1k25 s VAL 3456Ca -0.09 -1.93 0.00 0.00 -1.81 0.00 0.00 61.98 58.15 1k25 s VAL 3456Cb -0.16 -2.04 0.00 0.00 0.56 0.00 0.00 36.38 34.74 1k25 s VAL 3456CO 0.04 -0.50 0.00 0.35 -0.31 0.00 0.00 175.10 174.68 1k25 n THR 3457N -0.13 0.00 -0.00 5.32 -2.24 -1.26 -2.70 114.28 113.27 1k25 n THR 3457Ca -0.06 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.74 1k25 n THR 3457Cb 0.63 -1.36 -0.12 0.00 -2.10 0.00 0.00 70.33 67.39 1k25 n THR 3457CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1k25 n GLN 3458N -0.34 0.65 0.22 -0.78 6.02 -0.95 -4.01 117.38 118.19 1k25 n GLN 3458Ca 0.00 0.04 0.14 0.00 -0.01 0.00 0.00 57.00 57.17 1k25 n GLN 3458Cb 0.00 -1.66 0.40 0.00 1.02 0.00 0.00 30.24 29.99 1k25 n GLN 3458CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.06 177.84 1k25 h THR 3459N 0.00 0.00 0.06 5.09 1.35 -1.95 -2.15 112.91 115.30 1k25 h THR 3459Ca -0.19 -0.71 -0.13 0.00 -0.55 0.00 0.00 66.41 64.83 1k25 h THR 3459Cb 1.51 1.69 -0.00 0.00 -1.73 0.00 0.00 68.15 69.61 1k25 h THR 3459CO 0.02 0.00 -0.66 1.56 -0.25 0.00 0.00 175.52 176.19 1k25 h GLN 3460N 0.00 0.12 0.03 4.72 4.20 -1.94 -2.50 115.11 119.74 1k25 h GLN 3460Ca 0.00 -0.20 0.03 0.00 0.06 0.00 0.00 58.65 58.54 1k25 h GLN 3460Cb 0.75 0.07 -0.05 0.00 0.30 0.00 0.00 27.48 28.56 1k25 h GLN 3460CO 0.00 1.10 -0.33 0.52 -0.67 0.00 0.00 178.83 179.45 1k25 h MET 3461N -0.72 -0.48 -0.79 1.46 2.86 -1.68 3.12 114.93 118.70 1k25 h MET 3461Ca -0.15 0.03 0.14 0.00 -2.06 0.00 0.00 59.70 57.67 1k25 h MET 3461Cb 1.34 0.11 -0.09 0.00 0.06 0.00 0.00 31.60 33.02 1k25 h MET 3461CO 0.01 -0.32 0.36 -0.07 1.06 0.00 0.00 176.91 177.95 1k25 h LEU 3462N -0.50 0.40 -0.13 1.22 3.38 -1.51 2.11 115.31 120.27 1k25 h LEU 3462Ca 0.05 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1k25 h LEU 3462Cb 0.57 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1k25 h LEU 3462CO -0.25 0.16 0.05 -0.09 0.09 0.00 0.00 178.44 178.41 1k25 h ARG 3463N 0.53 0.19 -0.88 1.13 2.43 -0.38 1.00 114.38 118.39 1k25 h ARG 3463Ca 0.43 -0.03 0.12 0.00 -0.81 0.00 0.00 59.98 59.68 1k25 h ARG 3463Cb 0.62 -0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 30.07 1k25 h ARG 3463CO -0.38 0.28 0.57 0.00 -1.51 0.00 0.00 179.97 178.94 1k25 h ALA 3464N 0.90 1.73 0.00 2.80 0.00 0.97 -1.59 119.26 124.06 1k25 h ALA 3464Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1k25 h ALA 3464Cb 0.16 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1k25 h ALA 3464CO -0.00 0.07 -0.46 0.74 0.00 0.00 0.00 179.25 179.59 1k25 h PHE 3465N 0.79 0.00 -0.24 0.00 0.04 0.38 -3.31 116.94 114.59 1k25 h PHE 3465Ca 0.42 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 61.13 1k25 h PHE 3465Cb 0.54 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.68 1k25 h PHE 3465CO -0.00 0.45 -0.14 1.79 -0.60 0.00 0.00 178.31 179.80 1k25 h THR 3466N 0.00 1.22 -0.24 -1.55 1.35 0.22 -2.46 112.91 111.45 1k25 h THR 3466Ca -0.01 -0.98 -0.15 0.00 -0.55 0.00 0.00 66.41 64.72 1k25 h THR 3466Cb 1.35 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 68.96 1k25 h THR 3466CO 0.06 0.32 -0.43 0.00 -0.25 0.00 0.00 175.52 175.22 1k25 h ALA 3467N 1.48 0.38 0.00 6.62 0.00 -1.64 0.68 119.26 126.77 1k25 h ALA 3467Ca 0.07 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1k25 h ALA 3467Cb 0.48 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1k25 h ALA 3467CO 0.03 0.50 0.00 -0.89 0.00 0.00 0.00 179.25 178.89 1k25 n ILE 3468N -4.17 0.83 -0.11 0.00 2.08 -1.13 0.37 119.36 117.22 1k25 n ILE 3468Ca -0.05 0.27 -0.25 0.00 0.56 0.00 0.00 62.75 63.29 1k25 n ILE 3468Cb 0.55 -1.22 -0.11 0.00 -0.75 0.00 0.00 39.64 38.11 1k25 n ILE 3468CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1k25 n ALA 3469N -1.79 1.12 -2.99 -1.39 0.00 -0.94 -4.59 120.51 109.93 1k25 n ALA 3469Ca 0.02 -0.91 -0.43 0.00 0.00 0.00 0.00 53.44 52.12 1k25 n ALA 3469Cb 0.22 -0.17 0.01 0.00 0.00 0.00 0.00 19.45 19.51 1k25 n ALA 3469CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1k25 n ASN 3470N -3.99 6.33 -3.52 0.00 5.15 0.23 -4.72 115.26 114.74 1k25 n ASN 3470Ca -0.45 -3.38 -0.20 0.00 -0.60 0.00 0.00 54.58 49.94 1k25 n ASN 3470Cb 0.88 -1.29 0.00 0.00 -0.53 0.00 0.00 39.78 38.85 1k25 n ASN 3470CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 1k25 n ASP 3471N 1.51 -3.29 -0.89 1.20 8.00 -1.02 -0.31 116.55 121.75 1k25 n ASP 3471Ca 0.27 -0.74 -0.04 0.00 0.71 0.00 0.00 54.79 54.99 1k25 n ASP 3471Cb 0.34 -1.12 -0.02 0.00 -0.02 0.00 0.00 41.12 40.30 1k25 n ASP 3471CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1k25 n GLY 3472N -1.39 0.34 3.31 0.44 0.00 1.18 -4.22 105.19 104.85 1k25 n GLY 3472Ca -0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 1k25 n GLY 3472CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k25 s VAL 3473N -1.14 4.57 0.53 1.61 1.01 0.58 -2.63 120.40 124.94 1k25 s VAL 3473Ca 0.00 -1.30 -0.20 0.00 0.00 0.00 0.00 61.98 60.48 1k25 s VAL 3473Cb 0.00 -3.78 -0.06 0.00 0.00 0.00 0.00 36.38 32.53 1k25 s VAL 3473CO 0.00 -0.55 1.13 -0.04 0.00 0.00 0.00 175.10 175.65 1k25 s MET 3474N 1.50 3.43 0.07 2.72 -1.94 0.70 -3.94 119.30 121.83 1k25 s MET 3474Ca 0.03 1.63 0.08 0.00 -1.71 0.00 0.00 55.69 55.72 1k25 s MET 3474Cb -0.24 -2.07 -0.03 0.00 2.01 0.00 0.00 34.83 34.51 1k25 s MET 3474CO 0.03 -0.79 -0.21 -0.51 -0.01 0.00 0.00 175.02 173.53 1k25 s LEU 3475N -3.68 2.23 -0.33 -0.03 1.43 -1.26 -1.56 118.68 115.48 1k25 s LEU 3475Ca 0.71 -0.60 -0.28 0.00 -1.03 0.00 0.00 54.13 52.94 1k25 s LEU 3475Cb -0.24 -0.93 0.01 0.00 0.03 0.00 0.00 46.19 45.06 1k25 s LEU 3475CO 0.28 0.11 1.01 -0.70 0.23 0.00 0.00 176.35 177.28 1k25 s GLU 3476N -1.52 4.01 -0.25 1.70 2.56 -0.98 -4.62 118.70 119.61 1k25 s GLU 3476Ca 0.07 0.92 -0.32 0.00 0.00 0.00 0.00 54.97 55.63 1k25 s GLU 3476Cb -0.09 -3.75 -0.09 0.00 2.00 0.00 0.00 34.13 32.20 1k25 s GLU 3476CO 0.03 -0.89 2.14 -2.30 -0.56 0.00 0.00 175.26 173.68 1k25 n PRO 3477N 6.78 1.63 -4.02 4.30 -0.02 -1.26 -4.75 135.00 137.66 1k25 n PRO 3477Ca 0.10 0.49 -0.28 0.00 -2.02 0.00 0.00 63.50 61.79 1k25 n PRO 3477Cb 0.47 -2.78 -0.05 0.00 -0.02 0.00 0.00 33.50 31.13 1k25 n PRO 3477CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1k25 s LYS 3478N 5.81 3.09 0.00 -0.52 1.02 -1.15 -4.68 119.74 123.32 1k25 s LYS 3478Ca 1.03 -0.69 0.00 0.00 0.02 0.00 0.00 55.97 56.33 1k25 s LYS 3478Cb -0.64 -2.80 0.00 0.00 -0.52 0.00 0.00 37.83 33.87 1k25 s LYS 3478CO 0.45 0.54 0.00 1.97 -0.92 0.00 0.00 175.35 177.38 1k25 n PHE 3479N -0.06 0.00 -3.09 3.18 1.16 -1.26 -1.80 117.46 115.59 1k25 n PHE 3479Ca -0.08 0.00 -0.43 0.00 -1.87 0.00 0.00 57.45 55.07 1k25 n PHE 3479Cb 0.53 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.34 1k25 n PHE 3479CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 1k25 s ILE 3480N -0.37 4.80 0.02 1.97 1.01 -1.26 0.78 121.20 128.14 1k25 s ILE 3480Ca 0.00 -0.02 -0.19 0.00 0.00 0.00 0.00 60.65 60.44 1k25 s ILE 3480Cb 0.00 -4.26 -0.21 0.00 0.01 0.00 0.00 42.46 38.00 1k25 s ILE 3480CO 0.00 -0.70 1.15 -1.28 0.00 0.00 0.00 174.94 174.11 1k25 h SER 3481N 8.95 0.55 -4.50 3.58 0.87 -0.65 -3.45 113.55 118.89 1k25 h SER 3481Ca -0.26 -0.71 0.11 0.00 -1.23 0.00 0.00 61.79 59.70 1k25 h SER 3481Cb 1.09 -0.17 -0.17 0.00 -0.44 0.00 0.00 62.40 62.71 1k25 h SER 3481CO 0.93 1.18 0.52 0.00 -0.53 0.00 0.00 176.83 178.93 1k25 s ALA 3482N -3.40 -1.86 -0.33 6.23 0.00 -0.70 -2.51 121.76 119.18 1k25 s ALA 3482Ca -0.13 1.19 0.01 0.00 0.00 0.00 0.00 51.96 53.03 1k25 s ALA 3482Cb 0.04 0.11 0.08 0.00 0.00 0.00 0.00 23.12 23.36 1k25 s ALA 3482CO 0.82 -0.59 0.05 0.42 0.00 0.00 0.00 175.76 176.46 1k25 s ILE 3483N -2.57 2.66 0.23 0.00 1.01 -0.97 -0.28 121.20 121.28 1k25 s ILE 3483Ca 0.03 -1.93 -0.25 0.00 0.00 0.00 0.00 60.65 58.50 1k25 s ILE 3483Cb -0.01 -2.76 -0.09 0.00 0.01 0.00 0.00 42.46 39.62 1k25 s ILE 3483CO -0.06 -0.41 0.83 -0.47 0.00 0.00 0.00 174.94 174.84 1k25 s TYR 3484N 1.07 3.82 -0.35 3.97 5.04 0.17 -3.08 117.35 127.99 1k25 s TYR 3484Ca 0.03 1.67 0.03 0.00 -2.44 0.00 0.00 57.07 56.35 1k25 s TYR 3484Cb -0.20 -2.81 0.10 0.00 0.35 0.00 0.00 41.96 39.40 1k25 s TYR 3484CO -0.05 0.40 0.08 0.34 -1.34 0.00 0.00 175.55 174.98 1k25 s ASP 3485N -1.37 4.85 0.09 4.32 -1.08 -0.26 -0.15 116.67 123.08 1k25 s ASP 3485Ca 0.41 -2.15 -0.25 0.00 -0.52 0.00 0.00 52.55 50.05 1k25 s ASP 3485Cb -0.21 -1.67 -0.15 0.00 -1.46 0.00 0.00 42.92 39.43 1k25 s ASP 3485CO 0.26 -0.41 1.71 0.71 0.52 0.00 0.00 175.17 177.96 1k25 h THR 3486N 6.55 0.84 -0.31 1.71 1.35 -1.84 -1.44 112.91 119.77 1k25 h THR 3486Ca -0.06 0.00 0.03 0.00 -0.55 0.00 0.00 66.41 65.83 1k25 h THR 3486Cb 1.02 0.84 -0.04 0.00 -1.73 0.00 0.00 68.15 68.25 1k25 h THR 3486CO 0.55 0.00 -0.18 0.59 -0.25 0.00 0.00 175.52 176.23 1k25 n ASN 3487N -5.18 -0.33 -0.59 5.36 3.02 -1.26 -1.24 115.26 115.03 1k25 n ASN 3487Ca -0.08 1.15 0.13 0.00 -0.03 0.00 0.00 54.58 55.74 1k25 n ASN 3487Cb 0.11 -0.37 0.42 0.00 -0.61 0.00 0.00 39.78 39.33 1k25 n ASN 3487CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1k25 n ASN 3488N -3.66 1.82 -3.65 6.41 2.04 -1.25 -4.95 115.26 112.02 1k25 n ASN 3488Ca 0.01 -1.64 -0.22 0.00 -0.44 0.00 0.00 54.58 52.28 1k25 n ASN 3488Cb 0.08 -0.05 0.05 0.00 -2.53 0.00 0.00 39.78 37.34 1k25 n ASN 3488CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1k25 n GLN 3489N 0.42 -5.86 -4.38 -3.83 3.00 -0.38 -5.01 117.38 101.34 1k25 n GLN 3489Ca 0.18 0.70 -0.27 0.00 -0.01 0.00 0.00 57.00 57.60 1k25 n GLN 3489Cb 0.39 -5.50 -0.12 0.00 0.00 0.00 0.00 30.24 25.00 1k25 n GLN 3489CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1k25 s SER 3490N -4.07 3.21 0.20 1.08 0.15 -0.83 -4.64 113.70 108.80 1k25 s SER 3490Ca 0.18 -0.78 0.03 0.00 0.70 0.00 0.00 55.95 56.08 1k25 s SER 3490Cb -0.09 -0.21 -0.05 0.00 -1.71 0.00 0.00 66.02 63.96 1k25 s SER 3490CO 0.78 0.13 -0.01 -0.69 1.20 0.00 0.00 173.24 174.66 1k25 s VAL 3491N -1.31 0.86 -0.24 4.45 1.01 -0.85 -1.10 120.40 123.23 1k25 s VAL 3491Ca 0.15 -2.01 -0.02 0.00 0.00 0.00 0.00 61.98 60.10 1k25 s VAL 3491Cb -0.09 -2.21 0.07 0.00 0.00 0.00 0.00 36.38 34.15 1k25 s VAL 3491CO 0.07 -0.42 0.05 -0.13 0.00 0.00 0.00 175.10 174.67 1k25 s ARG 3492N -3.88 0.71 -0.03 2.72 0.52 -1.18 -3.31 118.95 114.50 1k25 s ARG 3492Ca 0.26 -0.66 -0.12 0.00 -0.52 0.00 0.00 55.73 54.69 1k25 s ARG 3492Cb 0.06 -2.05 -0.05 0.00 0.52 0.00 0.00 34.95 33.42 1k25 s ARG 3492CO 0.06 -0.76 0.32 0.15 0.02 0.00 0.00 175.30 175.09 1k25 s LYS 3493N 1.77 3.76 0.39 3.54 1.02 -1.26 -2.29 119.74 126.66 1k25 s LYS 3493Ca 0.02 0.22 -0.02 0.00 0.02 0.00 0.00 55.97 56.22 1k25 s LYS 3493Cb -0.17 -3.19 -0.04 0.00 -0.52 0.00 0.00 37.83 33.91 1k25 s LYS 3493CO -0.15 0.71 0.63 -1.54 -0.92 0.00 0.00 175.35 174.08 1k25 s SER 3494N -1.12 6.29 0.17 2.83 1.04 -1.04 -4.75 113.70 117.12 1k25 s SER 3494Ca 0.22 0.63 0.00 0.00 0.48 0.00 0.00 55.95 57.27 1k25 s SER 3494Cb -0.15 -2.11 -0.00 0.00 0.10 0.00 0.00 66.02 63.86 1k25 s SER 3494CO 0.11 -0.38 0.00 0.00 0.98 0.00 0.00 173.24 173.95 1k25 n GLN 3495N -1.89 1.53 -2.77 4.02 1.13 -1.26 -5.06 117.38 113.07 1k25 n GLN 3495Ca -0.03 -1.27 -0.26 0.00 -1.94 0.00 0.00 57.00 53.51 1k25 n GLN 3495Cb 0.56 0.36 0.01 0.00 0.11 0.00 0.00 30.24 31.27 1k25 n GLN 3495CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 1k25 s LYS 3496N -2.63 3.27 -0.30 -1.09 -2.85 -1.26 -5.07 119.74 109.82 1k25 s LYS 3496Ca 0.00 -0.09 0.03 0.00 -1.00 0.00 0.00 55.97 54.91 1k25 s LYS 3496Cb 0.00 -2.44 0.08 0.00 -2.06 0.00 0.00 37.83 33.42 1k25 s LYS 3496CO 0.00 -0.28 -0.01 -2.00 0.10 0.00 0.00 175.35 173.16 1k25 s GLU 3497N -4.69 1.69 0.11 1.78 2.12 -1.26 -5.07 118.70 113.38 1k25 s GLU 3497Ca 0.48 -1.57 -0.31 0.00 0.36 0.00 0.00 54.97 53.93 1k25 s GLU 3497Cb -0.10 -2.97 -0.07 0.00 0.26 0.00 0.00 34.13 31.24 1k25 s GLU 3497CO 0.42 -0.79 1.34 0.42 -0.54 0.00 0.00 175.26 176.11 1k25 s ILE 3498N 1.06 3.46 -0.00 -3.70 1.01 -1.26 -2.33 121.20 119.43 1k25 s ILE 3498Ca 0.03 1.06 0.00 0.00 0.00 0.00 0.00 60.65 61.74 1k25 s ILE 3498Cb -0.19 -3.68 -0.00 0.00 0.01 0.00 0.00 42.46 38.59 1k25 s ILE 3498CO -0.08 0.09 0.01 1.33 0.00 0.00 0.00 174.94 176.29 1k25 n VAL 3499N 3.80 0.00 0.00 2.92 0.24 -0.60 -4.91 118.33 119.78 1k25 n VAL 3499Ca 0.10 -0.19 0.00 0.00 -2.04 0.00 0.00 64.34 62.21 1k25 n VAL 3499Cb 0.43 0.69 0.00 0.00 -1.47 0.00 0.00 33.84 33.49 1k25 n VAL 3499CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1k25 n GLY 3500N 1.92 0.48 2.61 7.63 0.00 -1.25 -4.94 105.19 111.64 1k25 n GLY 3500Ca -0.00 -0.77 -0.22 0.00 0.00 0.00 0.00 46.02 45.03 1k25 n GLY 3500CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1k25 n ASN 3501N 0.00 3.34 -0.38 1.61 4.05 -1.25 -0.22 115.26 122.40 1k25 n ASN 3501Ca 0.00 -3.40 -0.09 0.00 0.45 0.00 0.00 54.58 51.54 1k25 n ASN 3501Cb 0.00 -0.54 -0.07 0.00 1.23 0.00 0.00 39.78 40.40 1k25 n ASN 3501CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 1k25 n PRO 3502N -0.18 -0.38 -4.24 1.20 -0.04 -1.08 -4.71 135.00 125.58 1k25 n PRO 3502Ca 0.29 1.39 -0.13 0.00 -0.04 0.00 0.00 63.50 65.00 1k25 n PRO 3502Cb 0.60 -2.05 -0.10 0.00 -0.04 0.00 0.00 33.50 31.91 1k25 n PRO 3502CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1k25 s VAL 3503N -5.52 0.91 0.44 0.52 -7.23 -1.25 -4.97 120.40 103.30 1k25 s VAL 3503Ca -0.11 -2.01 -0.23 0.00 -1.81 0.00 0.00 61.98 57.83 1k25 s VAL 3503Cb 0.11 -1.93 -0.08 0.00 0.56 0.00 0.00 36.38 35.04 1k25 s VAL 3503CO 0.58 -0.67 1.08 -0.94 -0.31 0.00 0.00 175.10 174.84 1k25 s SER 3504N -3.15 6.47 0.16 4.85 1.04 -1.26 -3.33 113.70 118.48 1k25 s SER 3504Ca 0.18 2.08 -0.29 0.00 0.48 0.00 0.00 55.95 58.41 1k25 s SER 3504Cb 0.04 -2.58 -0.02 0.00 0.10 0.00 0.00 66.02 63.56 1k25 s SER 3504CO 0.01 -0.69 1.55 0.50 0.98 0.00 0.00 173.24 175.59 1k25 h LYS 3505N 2.11 -0.19 -0.90 4.02 3.64 -1.94 0.90 116.57 124.22 1k25 h LYS 3505Ca -0.49 0.01 0.14 0.00 -1.27 0.00 0.00 60.65 59.05 1k25 h LYS 3505Cb 1.23 0.04 -0.09 0.00 -0.41 0.00 0.00 32.23 33.00 1k25 h LYS 3505CO 0.61 -0.13 0.51 0.93 -2.27 0.00 0.00 179.45 179.10 1k25 h GLU 3506N -0.20 0.71 -0.37 1.90 3.07 -1.95 0.18 114.58 117.93 1k25 h GLU 3506Ca 0.15 -0.04 -0.15 0.00 -0.50 0.00 0.00 59.36 58.82 1k25 h GLU 3506Cb 0.53 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.28 1k25 h GLU 3506CO -0.76 0.47 -0.37 0.00 -1.40 0.00 0.00 179.01 176.95 1k25 h ALA 3507N 1.56 0.55 0.55 3.43 0.00 -0.61 -3.10 119.26 121.63 1k25 h ALA 3507Ca 0.48 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1k25 h ALA 3507Cb 0.63 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.31 1k25 h ALA 3507CO -0.33 0.64 -0.26 0.00 0.00 0.00 0.00 179.25 179.29 1k25 h ALA 3508N 0.76 -0.74 -1.48 0.00 0.00 0.21 -1.75 119.26 116.26 1k25 h ALA 3508Ca 0.06 -0.19 0.45 0.00 0.00 0.00 0.00 54.91 55.23 1k25 h ALA 3508Cb 0.97 0.28 -0.09 0.00 0.00 0.00 0.00 17.79 18.95 1k25 h ALA 3508CO 0.09 -0.84 1.02 1.03 0.00 0.00 0.00 179.25 180.55 1k25 h SER 3509N -0.88 0.13 0.02 0.00 0.87 -0.73 0.22 113.55 113.18 1k25 h SER 3509Ca -0.08 0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1k25 h SER 3509Cb 0.62 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.63 1k25 h SER 3509CO 0.12 -0.07 -0.01 0.74 -0.53 0.00 0.00 176.83 177.09 1k25 h THR 3510N 0.06 1.42 -1.29 2.23 2.02 -1.42 -2.13 112.91 113.80 1k25 h THR 3510Ca 0.79 -1.90 0.38 0.00 0.77 0.00 0.00 66.41 66.45 1k25 h THR 3510Cb 2.81 2.60 -0.08 0.00 -1.74 0.00 0.00 68.15 71.74 1k25 h THR 3510CO -0.20 0.45 0.88 0.74 0.37 0.00 0.00 175.52 177.77 1k25 h THR 3511N -0.92 0.31 0.13 3.16 2.02 0.31 0.25 112.91 118.16 1k25 h THR 3511Ca -0.00 -0.04 -0.33 0.00 0.77 0.00 0.00 66.41 66.80 1k25 h THR 3511Cb 0.76 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 1k25 h THR 3511CO 0.00 0.02 -1.76 0.03 0.37 0.00 0.00 175.52 174.19 1k25 h ARG 3512N 0.13 0.27 -0.36 6.66 3.08 -1.39 -3.22 114.38 119.55 1k25 h ARG 3512Ca 0.69 -0.47 0.04 0.00 0.07 0.00 0.00 59.98 60.31 1k25 h ARG 3512Cb 2.35 0.17 -0.04 0.00 0.08 0.00 0.00 29.97 32.53 1k25 h ARG 3512CO -0.19 1.22 0.12 -0.91 -1.07 0.00 0.00 179.97 179.14 1k25 h ASN 3513N -0.09 0.12 0.07 7.04 2.35 -0.43 0.70 115.58 125.35 1k25 h ASN 3513Ca -0.37 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.42 1k25 h ASN 3513Cb 1.94 0.03 0.00 0.00 0.05 0.00 0.00 38.32 40.34 1k25 h ASN 3513CO 0.08 0.10 0.00 1.41 -1.65 0.00 0.00 177.43 177.37 1k25 n HIS 3514N -5.03 0.00 -0.11 1.19 -0.00 0.72 -1.36 115.22 110.63 1k25 n HIS 3514Ca 0.01 0.00 -0.18 0.00 -0.00 0.00 0.00 57.72 57.55 1k25 n HIS 3514Cb 0.13 -0.41 -0.12 0.00 -0.00 0.00 0.00 29.99 29.59 1k25 n HIS 3514CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 1k25 n MET 3515N -1.41 0.67 -0.31 -0.41 2.81 0.21 -4.17 117.12 114.51 1k25 n MET 3515Ca 0.01 0.16 0.03 0.00 -1.81 0.00 0.00 57.70 56.09 1k25 n MET 3515Cb 0.02 -1.55 0.17 0.00 -0.71 0.00 0.00 33.22 31.16 1k25 n MET 3515CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 1k25 h ILE 3516N 0.01 0.96 -0.78 2.02 2.04 0.62 0.18 117.51 122.56 1k25 h ILE 3516Ca -0.56 -0.31 0.23 0.00 1.00 0.00 0.00 64.86 65.22 1k25 h ILE 3516Cb 1.93 -0.02 -0.03 0.00 -0.74 0.00 0.00 36.82 37.96 1k25 h ILE 3516CO -0.06 0.17 0.83 -0.07 0.00 0.00 0.00 178.15 179.01 1k25 h LEU 3517N 0.91 0.00 0.00 1.44 3.38 -1.52 0.21 115.31 119.72 1k25 h LEU 3517Ca 0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.38 1k25 h LEU 3517Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1k25 h LEU 3517CO -0.22 0.00 0.14 1.33 0.09 0.00 0.00 178.44 179.77 1k25 n VAL 3518N -3.56 1.31 0.00 1.22 0.24 0.62 -3.93 118.33 114.24 1k25 n VAL 3518Ca 0.17 0.46 0.00 0.00 -2.04 0.00 0.00 64.34 62.93 1k25 n VAL 3518Cb 1.09 -1.46 0.00 0.00 -1.47 0.00 0.00 33.84 32.00 1k25 n VAL 3518CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1k25 n GLY 3519N -1.32 0.61 2.56 7.63 0.00 0.74 -4.98 105.19 110.42 1k25 n GLY 3519Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1k25 n GLY 3519CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1k25 n THR 3520N 0.00 0.00 0.00 2.61 -1.04 -1.25 -5.14 114.28 109.46 1k25 n THR 3520Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1k25 n THR 3520Cb 0.00 -0.71 0.00 0.00 -1.82 0.00 0.00 70.33 67.80 1k25 n THR 3520CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1k25 n PRO 3535N 2.56 0.00 0.02 -2.82 -0.02 -1.26 -5.02 135.00 128.46 1k25 n PRO 3535Ca 0.00 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.47 1k25 n PRO 3535Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 33.50 33.48 1k25 n PRO 3535CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1k25 h ILE 3536N 0.00 0.00 -3.70 4.25 2.04 -1.93 -3.43 117.51 114.74 1k25 h ILE 3536Ca 0.00 -0.06 -0.68 0.00 1.00 0.00 0.00 64.86 65.12 1k25 h ILE 3536Cb 0.00 0.00 -0.20 0.00 -0.74 0.00 0.00 36.82 35.88 1k25 h ILE 3536CO 0.00 0.00 -0.51 -0.63 0.00 0.00 0.00 178.15 177.01 1k25 s ILE 3537N -1.94 5.04 0.43 -0.67 1.01 -1.26 -4.83 121.20 118.98 1k25 s ILE 3537Ca -0.01 -0.29 0.04 0.00 0.00 0.00 0.00 60.65 60.40 1k25 s ILE 3537Cb 0.00 -3.58 -0.05 0.00 0.01 0.00 0.00 42.46 38.84 1k25 s ILE 3537CO 0.02 0.02 0.03 0.42 0.00 0.00 0.00 174.94 175.43 1k25 s THR 3538N 1.68 1.41 -0.21 2.92 -4.23 -1.26 -4.79 115.64 111.16 1k25 s THR 3538Ca 0.06 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.46 1k25 s THR 3538Cb -0.17 -2.61 0.07 0.00 1.34 0.00 0.00 72.50 71.13 1k25 s THR 3538CO 0.09 0.00 0.49 -0.69 -0.54 0.00 0.00 174.62 173.97 1k25 s VAL 3539N -2.93 -0.15 -0.75 2.29 1.01 -1.26 -4.69 120.40 113.92 1k25 s VAL 3539Ca 0.24 0.08 -0.36 0.00 0.00 0.00 0.00 61.98 61.93 1k25 s VAL 3539Cb 0.06 -0.74 -0.20 0.00 0.00 0.00 0.00 36.38 35.51 1k25 s VAL 3539CO 0.12 0.03 2.44 -2.65 0.00 0.00 0.00 175.10 175.04 1k25 n PRO 3540N 4.49 0.07 -2.78 2.72 -0.02 -1.26 -0.43 135.00 137.78 1k25 n PRO 3540Ca -0.20 0.01 -0.18 0.00 -2.02 0.00 0.00 63.50 61.11 1k25 n PRO 3540Cb 0.55 -1.58 0.02 0.00 -0.02 0.00 0.00 33.50 32.47 1k25 n PRO 3540CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1k25 n GLY 3541N 6.91 -0.29 2.88 -1.23 0.00 -1.26 -5.02 105.19 107.18 1k25 n GLY 3541Ca 0.60 -0.07 -0.13 0.00 0.00 0.00 0.00 46.02 46.41 1k25 n GLY 3541CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1k25 s GLN 3542N -5.37 0.12 -0.22 1.61 -0.21 0.43 -5.12 119.66 110.91 1k25 s GLN 3542Ca 0.20 -0.03 -0.21 0.00 0.02 0.00 0.00 55.36 55.34 1k25 s GLN 3542Cb -0.09 -0.15 -0.02 0.00 1.00 0.00 0.00 33.01 33.75 1k25 s GLN 3542CO 0.25 0.01 0.64 -0.80 -2.12 0.00 0.00 175.29 173.28 1k25 s ASN 3543N 0.09 6.66 -0.16 5.90 0.01 -1.26 -4.25 114.94 121.94 1k25 s ASN 3543Ca -0.01 0.81 -0.08 0.00 -0.71 0.00 0.00 52.86 52.87 1k25 s ASN 3543Cb -0.02 -2.35 -0.04 0.00 0.41 0.00 0.00 41.25 39.24 1k25 s ASN 3543CO -0.00 -0.32 0.13 -0.69 -1.51 0.00 0.00 177.10 174.71 1k25 s VAL 3544N 2.14 5.37 -0.22 1.60 1.01 -1.26 0.66 120.40 129.70 1k25 s VAL 3544Ca 0.28 0.17 -0.19 0.00 0.00 0.00 0.00 61.98 62.25 1k25 s VAL 3544Cb -0.16 -3.39 -0.03 0.00 0.00 0.00 0.00 36.38 32.80 1k25 s VAL 3544CO 0.10 0.53 0.54 0.00 0.00 0.00 0.00 175.10 176.26 1k25 s ALA 3545N -0.30 3.56 0.09 5.51 0.00 0.09 -4.19 121.76 126.52 1k25 s ALA 3545Ca 0.11 -0.45 -0.03 0.00 0.00 0.00 0.00 51.96 51.59 1k25 s ALA 3545Cb -0.12 -2.87 -0.03 0.00 0.00 0.00 0.00 23.12 20.11 1k25 s ALA 3545CO 0.01 -0.57 0.07 0.14 0.00 0.00 0.00 175.76 175.41 1k25 s VAL 3546N 1.93 0.16 -0.29 0.00 -7.23 -1.26 0.30 120.40 114.01 1k25 s VAL 3546Ca 0.24 -1.66 -0.02 0.00 -1.81 0.00 0.00 61.98 58.72 1k25 s VAL 3546Cb -0.15 -1.65 0.17 0.00 0.56 0.00 0.00 36.38 35.30 1k25 s VAL 3546CO 0.09 -0.71 0.57 -0.75 -0.31 0.00 0.00 175.10 173.99 1k25 s LYS 3547N -3.95 0.53 -0.37 4.82 2.47 -0.69 -4.79 119.74 117.77 1k25 s LYS 3547Ca 0.12 0.99 -0.15 0.00 -1.56 0.00 0.00 55.97 55.38 1k25 s LYS 3547Cb 0.07 0.44 -0.00 0.00 -1.46 0.00 0.00 37.83 36.87 1k25 s LYS 3547CO -0.06 -0.57 0.32 -1.12 0.16 0.00 0.00 175.35 174.08 1k25 s SER 3548N 2.81 6.13 0.13 1.43 0.01 -1.26 -1.65 113.70 121.29 1k25 s SER 3548Ca 0.16 -0.50 0.02 0.00 1.31 0.00 0.00 55.95 56.94 1k25 s SER 3548Cb -0.15 -2.17 0.02 0.00 0.21 0.00 0.00 66.02 63.93 1k25 s SER 3548CO -0.20 -0.36 0.13 0.61 0.41 0.00 0.00 173.24 173.84 1k25 n GLY 3549N 5.07 2.54 3.23 3.44 0.00 -1.00 -4.96 105.19 113.51 1k25 n GLY 3549Ca -0.10 -2.18 -0.09 0.00 0.00 0.00 0.00 46.02 43.65 1k25 n GLY 3549CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k25 s THR 3550N -0.30 -0.63 -0.21 2.61 2.01 -1.26 -3.21 115.64 114.65 1k25 s THR 3550Ca 0.10 0.17 -0.07 0.00 0.31 0.00 0.00 61.69 62.20 1k25 s THR 3550Cb -0.01 -0.66 -0.03 0.00 0.01 0.00 0.00 72.50 71.81 1k25 s THR 3550CO 0.06 0.06 0.05 0.00 -0.69 0.00 0.00 174.62 174.11 1k25 s ALA 3551N 2.60 3.26 0.34 7.40 0.00 -0.52 -3.26 121.76 131.57 1k25 s ALA 3551Ca -0.01 -0.91 -0.27 0.00 0.00 0.00 0.00 51.96 50.77 1k25 s ALA 3551Cb -0.12 -1.94 -0.09 0.00 0.00 0.00 0.00 23.12 20.96 1k25 s ALA 3551CO -0.13 -0.09 1.08 -0.65 0.00 0.00 0.00 175.76 175.98 1k25 s GLN 3552N 0.88 4.40 0.41 0.00 -0.21 -1.26 -1.73 119.66 122.16 1k25 s GLN 3552Ca 0.03 1.68 0.00 0.00 0.02 0.00 0.00 55.36 57.09 1k25 s GLN 3552Cb -0.14 -2.88 -0.02 0.00 1.00 0.00 0.00 33.01 30.97 1k25 s GLN 3552CO 0.02 0.03 0.63 0.42 -2.12 0.00 0.00 175.29 174.28 1k25 s ILE 3553N -1.39 4.47 -0.28 1.08 1.01 -1.26 -4.82 121.20 120.02 1k25 s ILE 3553Ca 0.51 -0.44 -0.08 0.00 0.00 0.00 0.00 60.65 60.64 1k25 s ILE 3553Cb -0.28 -3.65 -0.02 0.00 0.01 0.00 0.00 42.46 38.53 1k25 s ILE 3553CO 0.35 -0.45 0.11 0.00 0.00 0.00 0.00 174.94 174.94 1k25 s ALA 3554N -2.48 3.21 -0.33 9.38 0.00 -1.26 -1.84 121.76 128.45 1k25 s ALA 3554Ca 0.45 -1.25 -0.24 0.00 0.00 0.00 0.00 51.96 50.92 1k25 s ALA 3554Cb -0.10 -2.21 0.01 0.00 0.00 0.00 0.00 23.12 20.81 1k25 s ALA 3554CO 0.38 -0.68 0.83 0.34 0.00 0.00 0.00 175.76 176.63 1k25 s ASP 3555N 1.61 6.66 -0.03 0.00 -1.08 -1.12 -4.80 116.67 117.92 1k25 s ASP 3555Ca 0.05 0.61 -0.22 0.00 -0.52 0.00 0.00 52.55 52.47 1k25 s ASP 3555Cb -0.16 -2.43 -0.24 0.00 -1.46 0.00 0.00 42.92 38.63 1k25 s ASP 3555CO 0.05 -0.70 1.05 -0.33 0.52 0.00 0.00 175.17 175.75 1k25 h GLU 3556N 8.26 0.30 0.41 4.34 5.08 -1.90 -3.20 114.58 127.86 1k25 h GLU 3556Ca -0.24 -0.33 -0.01 0.00 -1.00 0.00 0.00 59.36 57.78 1k25 h GLU 3556Cb 1.09 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 1k25 h GLU 3556CO 0.92 1.04 -0.46 0.87 -1.00 0.00 0.00 179.01 180.38 1k25 h LYS 3557N -0.31 -0.85 -0.39 2.33 1.79 -1.99 -3.32 116.57 113.84 1k25 h LYS 3557Ca -0.06 0.06 -0.22 0.00 -2.18 0.00 0.00 60.65 58.25 1k25 h LYS 3557Cb 1.21 0.19 -0.14 0.00 -1.58 0.00 0.00 32.23 31.92 1k25 h LYS 3557CO 0.09 -0.56 -0.13 0.27 -1.08 0.00 0.00 179.45 178.04 1k25 n ASN 3558N -5.19 2.79 -1.45 0.86 6.94 -1.26 -5.10 115.26 112.85 1k25 n ASN 3558Ca -0.10 -3.80 0.19 0.00 -0.02 0.00 0.00 54.58 50.84 1k25 n ASN 3558Cb 0.41 -0.62 -0.06 0.00 -2.36 0.00 0.00 39.78 37.14 1k25 n ASN 3558CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1k25 n GLY 3559N -1.09 -2.43 5.86 4.83 0.00 -1.21 -5.02 105.19 106.14 1k25 n GLY 3559Ca 0.35 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 45.25 1k25 n GLY 3559CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k25 n GLY 3560N -4.29 -1.95 3.34 -0.02 0.00 -1.26 -4.71 105.19 96.31 1k25 n GLY 3560Ca -0.02 -1.51 -0.32 0.00 0.00 0.00 0.00 46.02 44.16 1k25 n GLY 3560CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1k25 s TYR 3561N 0.00 2.69 0.28 1.61 2.02 -1.26 -2.80 117.35 119.89 1k25 s TYR 3561Ca 0.00 -0.66 -0.30 0.00 -0.37 0.00 0.00 57.07 55.74 1k25 s TYR 3561Cb 0.00 -1.75 -0.12 0.00 -0.40 0.00 0.00 41.96 39.69 1k25 s TYR 3561CO 0.00 -0.19 1.46 1.28 -1.57 0.00 0.00 175.55 176.53 1k25 n LEU 3562N 3.24 3.73 -4.87 -1.29 4.77 -0.76 -4.83 117.00 116.99 1k25 n LEU 3562Ca -0.18 1.16 -0.24 0.00 -0.03 0.00 0.00 56.01 56.72 1k25 n LEU 3562Cb 0.53 -1.51 -0.02 0.00 -2.33 0.00 0.00 43.42 40.08 1k25 n LEU 3562CO 0.28 -0.22 0.00 0.54 -1.33 0.00 0.00 177.39 176.67 1k25 s VAL 3563N -0.27 2.11 0.00 4.08 0.11 -1.26 -4.39 120.40 120.77 1k25 s VAL 3563Ca 0.64 -1.47 0.00 0.00 -2.93 0.00 0.00 61.98 58.22 1k25 s VAL 3563Cb -0.57 -2.58 0.00 0.00 -1.53 0.00 0.00 36.38 31.70 1k25 s VAL 3563CO 0.52 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.90 1k25 n GLY 3564N -1.61 3.19 3.17 6.54 0.00 -1.26 -4.79 105.19 110.43 1k25 n GLY 3564Ca 0.01 -1.21 -0.53 0.00 0.00 0.00 0.00 46.02 44.29 1k25 n GLY 3564CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1k25 n SER 3565N 0.00 -0.14 0.00 1.61 3.41 -1.26 0.01 113.62 117.26 1k25 n SER 3565Ca 0.00 1.05 0.00 0.00 -0.26 0.00 0.00 58.87 59.66 1k25 n SER 3565Cb 0.00 -0.84 0.00 0.00 -0.26 0.00 0.00 64.21 63.11 1k25 n SER 3565CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1k25 n THR 3566N 1.21 0.00 -0.18 6.66 -2.24 -1.26 -4.88 114.28 113.59 1k25 n THR 3566Ca 0.18 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.83 1k25 n THR 3566Cb 0.09 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.29 1k25 n THR 3566CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1k25 n ASN 3567N 0.80 0.27 0.00 3.42 5.15 0.10 -4.33 115.26 120.67 1k25 n ASN 3567Ca 0.00 -2.06 0.00 0.00 -0.60 0.00 0.00 54.58 51.92 1k25 n ASN 3567Cb 0.00 -0.47 0.00 0.00 -0.53 0.00 0.00 39.78 38.78 1k25 n ASN 3567CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 1k25 n TYR 3568N 6.01 0.00 -3.78 1.20 4.01 -1.26 -4.53 117.16 118.81 1k25 n TYR 3568Ca 0.13 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.57 1k25 n TYR 3568Cb 0.12 0.00 -0.15 0.00 -0.31 0.00 0.00 39.34 39.01 1k25 n TYR 3568CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1k25 s ILE 3569N 0.23 1.25 -0.08 -0.72 1.01 -0.70 -0.08 121.20 122.11 1k25 s ILE 3569Ca 0.00 -1.85 -0.30 0.00 0.00 0.00 0.00 60.65 58.50 1k25 s ILE 3569Cb 0.00 -1.92 -0.02 0.00 0.01 0.00 0.00 42.46 40.52 1k25 s ILE 3569CO 0.00 -0.72 1.08 -0.36 0.00 0.00 0.00 174.94 174.94 1k25 s PHE 3570N 1.18 3.40 0.43 3.97 0.40 0.12 -1.44 117.98 126.03 1k25 s PHE 3570Ca 0.12 1.46 0.01 0.00 -0.60 0.00 0.00 56.93 57.91 1k25 s PHE 3570Cb -0.19 -3.28 -0.00 0.00 0.51 0.00 0.00 43.02 40.06 1k25 s PHE 3570CO -0.16 -0.63 0.03 -1.13 0.70 0.00 0.00 175.22 174.03 1k25 n SER 3571N 5.02 2.76 0.00 1.36 3.41 -1.20 0.75 113.62 125.73 1k25 n SER 3571Ca 0.09 -2.95 0.00 0.00 -0.26 0.00 0.00 58.87 55.75 1k25 n SER 3571Cb 0.48 0.45 0.00 0.00 -0.26 0.00 0.00 64.21 64.88 1k25 n SER 3571CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1k25 n ALA 3572N -1.51 0.00 -2.52 7.33 0.00 -0.36 -2.38 120.51 121.07 1k25 n ALA 3572Ca -0.18 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.02 1k25 n ALA 3572Cb 0.56 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.88 1k25 n ALA 3572CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1k25 s VAL 3573N -0.80 1.64 -0.10 0.00 1.01 -0.66 -0.95 120.40 120.54 1k25 s VAL 3573Ca 0.00 -1.32 -0.05 0.00 0.00 0.00 0.00 61.98 60.61 1k25 s VAL 3573Cb 0.00 -1.46 0.04 0.00 0.00 0.00 0.00 36.38 34.97 1k25 s VAL 3573CO 0.00 0.08 0.22 0.42 0.00 0.00 0.00 175.10 175.82 1k25 s THR 3574N -0.95 -0.05 -0.33 3.92 -4.23 -0.60 -1.70 115.64 111.69 1k25 s THR 3574Ca 0.06 0.16 0.03 0.00 -1.18 0.00 0.00 61.69 60.76 1k25 s THR 3574Cb -0.09 -0.35 0.10 0.00 1.34 0.00 0.00 72.50 73.50 1k25 s THR 3574CO 0.03 0.07 0.05 -0.04 -0.54 0.00 0.00 174.62 174.18 1k25 s MET 3575N 1.28 1.34 -0.08 3.99 -1.94 0.89 -1.48 119.30 123.31 1k25 s MET 3575Ca -0.09 -1.64 0.04 0.00 -1.71 0.00 0.00 55.69 52.30 1k25 s MET 3575Cb -0.11 -2.89 -0.01 0.00 2.01 0.00 0.00 34.83 33.83 1k25 s MET 3575CO -0.08 -0.92 -0.22 0.54 -0.01 0.00 0.00 175.02 174.33 1k25 s ASN 3576N 1.09 3.32 0.37 3.03 4.22 -1.08 -0.74 114.94 125.16 1k25 s ASN 3576Ca 0.09 -0.46 -0.24 0.00 -2.14 0.00 0.00 52.86 50.11 1k25 s ASN 3576Cb -0.19 -1.11 -0.10 0.00 1.28 0.00 0.00 41.25 41.13 1k25 s ASN 3576CO -0.12 0.22 0.95 -2.84 -2.04 0.00 0.00 177.10 173.28 1k25 s PRO 3577N -0.01 4.40 0.24 3.55 0.02 -1.26 -1.88 135.00 140.06 1k25 s PRO 3577Ca -0.07 1.25 -0.06 0.00 0.02 0.00 0.00 61.00 62.14 1k25 s PRO 3577Cb -0.15 -2.52 0.28 0.00 0.02 0.00 0.00 34.50 32.14 1k25 s PRO 3577CO 0.05 0.12 1.88 0.00 -0.33 0.00 0.00 177.00 178.71 1k25 h ALA 3578N 2.58 1.16 -0.90 -1.55 0.00 0.12 1.00 119.26 121.66 1k25 h ALA 3578Ca -0.48 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 54.50 1k25 h ALA 3578Cb 1.19 -0.29 -0.08 0.00 0.00 0.00 0.00 17.79 18.61 1k25 h ALA 3578CO 0.63 0.39 0.55 0.93 0.00 0.00 0.00 179.25 181.74 1k25 h GLU 3579N 1.07 0.89 -0.57 0.00 3.07 -1.87 -3.35 114.58 113.82 1k25 h GLU 3579Ca 0.35 -0.05 -0.31 0.00 -0.50 0.00 0.00 59.36 58.85 1k25 h GLU 3579Cb 0.04 -0.20 -0.21 0.00 -0.84 0.00 0.00 28.75 27.54 1k25 h GLU 3579CO -0.13 0.59 -0.66 -1.71 -1.40 0.00 0.00 179.01 175.69 1k25 n ASN 3580N -4.67 -1.85 -4.07 1.42 4.05 -1.00 -5.07 115.26 104.08 1k25 n ASN 3580Ca 0.15 -3.26 -0.47 0.00 0.45 0.00 0.00 54.58 51.45 1k25 n ASN 3580Cb 0.28 1.16 -0.04 0.00 1.23 0.00 0.00 39.78 42.42 1k25 n ASN 3580CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 177.26 171.56 1k25 n PRO 3581N 1.17 0.00 -0.01 1.20 -0.02 0.34 -4.40 135.00 133.28 1k25 n PRO 3581Ca 0.12 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.60 1k25 n PRO 3581Cb 0.63 -1.06 -0.03 0.00 -0.02 0.00 0.00 33.50 33.02 1k25 n PRO 3581CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1k25 n ASP 3582N 1.70 4.06 -4.02 2.55 8.00 -0.79 -4.59 116.55 123.47 1k25 n ASP 3582Ca 0.17 0.00 -0.19 0.00 0.71 0.00 0.00 54.79 55.48 1k25 n ASP 3582Cb 0.18 0.85 -0.15 0.00 -0.02 0.00 0.00 41.12 41.99 1k25 n ASP 3582CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1k25 s PHE 3583N -2.18 0.88 -0.17 1.24 0.08 -0.99 -2.09 117.98 114.75 1k25 s PHE 3583Ca -0.02 -0.18 0.01 0.00 0.12 0.00 0.00 56.93 56.86 1k25 s PHE 3583Cb 0.02 -0.59 0.03 0.00 -0.57 0.00 0.00 43.02 41.91 1k25 s PHE 3583CO 0.16 -0.04 -0.14 0.42 -0.10 0.00 0.00 175.22 175.52 1k25 s ILE 3584N -0.08 1.67 -0.13 0.64 1.01 -0.38 -2.62 121.20 121.30 1k25 s ILE 3584Ca 0.01 -0.79 0.01 0.00 0.00 0.00 0.00 60.65 59.88 1k25 s ILE 3584Cb -0.05 -1.60 -0.01 0.00 0.01 0.00 0.00 42.46 40.81 1k25 s ILE 3584CO -0.00 0.39 -0.16 -0.22 0.00 0.00 0.00 174.94 174.95 1k25 s LEU 3585N 1.43 2.53 -0.26 2.97 2.96 -0.55 -0.37 118.68 127.40 1k25 s LEU 3585Ca 0.03 -0.42 0.02 0.00 -0.22 0.00 0.00 54.13 53.55 1k25 s LEU 3585Cb -0.14 -1.56 0.06 0.00 0.50 0.00 0.00 46.19 45.05 1k25 s LEU 3585CO -0.10 0.13 -0.10 -0.47 -1.32 0.00 0.00 176.35 174.49 1k25 s TYR 3586N 0.52 3.24 0.05 5.38 5.04 0.21 -1.56 117.35 130.23 1k25 s TYR 3586Ca -0.10 -2.25 0.06 0.00 -2.44 0.00 0.00 57.07 52.33 1k25 s TYR 3586Cb -0.16 -1.95 -0.04 0.00 0.35 0.00 0.00 41.96 40.17 1k25 s TYR 3586CO 0.04 -0.87 -0.11 0.08 -1.34 0.00 0.00 175.55 173.36 1k25 s VAL 3587N 1.12 3.32 0.25 3.14 1.01 -0.13 -1.73 120.40 127.38 1k25 s VAL 3587Ca -0.08 -1.07 0.02 0.00 0.00 0.00 0.00 61.98 60.85 1k25 s VAL 3587Cb -0.20 -2.48 -0.05 0.00 0.00 0.00 0.00 36.38 33.65 1k25 s VAL 3587CO -0.05 0.27 0.07 0.42 0.00 0.00 0.00 175.10 175.80 1k25 s THR 3588N -1.07 0.69 -0.31 3.92 -4.23 -1.07 -1.22 115.64 112.35 1k25 s THR 3588Ca 0.18 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.67 1k25 s THR 3588Cb -0.11 -2.53 0.19 0.00 1.34 0.00 0.00 72.50 71.39 1k25 s THR 3588CO 0.09 -0.12 0.82 -0.69 -0.54 0.00 0.00 174.62 174.19 1k25 s VAL 3589N -3.66 -0.62 0.39 2.29 1.01 0.23 -3.29 120.40 116.75 1k25 s VAL 3589Ca 0.34 0.00 -0.18 0.00 0.00 0.00 0.00 61.98 62.15 1k25 s VAL 3589Cb 0.07 -0.50 -0.10 0.00 0.00 0.00 0.00 36.38 35.86 1k25 s VAL 3589CO 0.12 0.00 0.86 -1.58 0.00 0.00 0.00 175.10 174.49 1k25 s GLN 3590N 2.69 4.09 0.00 2.72 0.74 -0.07 -0.71 119.66 129.13 1k25 s GLN 3590Ca 0.18 0.89 0.00 0.00 0.05 0.00 0.00 55.36 56.48 1k25 s GLN 3590Cb -0.05 -2.29 0.00 0.00 1.10 0.00 0.00 33.01 31.77 1k25 s GLN 3590CO -0.22 0.03 0.00 1.04 -0.55 0.00 0.00 175.29 175.59 1k25 n GLN 3591N -0.64 0.00 -3.15 1.67 6.02 0.89 -2.15 117.38 120.02 1k25 n GLN 3591Ca 0.05 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.74 1k25 n GLN 3591Cb 0.54 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.76 1k25 n GLN 3591CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1k25 s PRO 3592N -1.34 3.78 0.32 -1.09 0.04 -1.26 -2.95 135.00 132.49 1k25 s PRO 3592Ca 0.00 0.33 0.00 0.00 0.04 0.00 0.00 61.00 61.37 1k25 s PRO 3592Cb 0.00 -2.52 0.54 0.00 0.04 0.00 0.00 34.50 32.56 1k25 s PRO 3592CO 0.00 0.14 1.97 1.49 0.04 0.00 0.00 177.00 180.64 1k25 h GLU 3593N 1.80 0.91 -3.37 4.56 4.81 -1.64 -3.45 114.58 118.21 1k25 h GLU 3593Ca -0.47 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 58.68 1k25 h GLU 3593Cb 1.18 -0.20 -0.08 0.00 0.63 0.00 0.00 28.75 30.29 1k25 h GLU 3593CO 0.66 0.63 0.03 -3.38 -0.73 0.00 0.00 179.01 176.21 1k25 s HIS 3594N -5.72 0.08 0.12 0.92 -3.43 -1.25 -5.05 115.29 100.96 1k25 s HIS 3594Ca -0.10 -0.47 -0.14 0.00 -0.80 0.00 0.00 55.06 53.54 1k25 s HIS 3594Cb 0.17 0.40 0.03 0.00 -1.43 0.00 0.00 32.58 31.75 1k25 s HIS 3594CO 0.78 -1.06 0.36 -0.47 -2.00 0.00 0.00 174.74 172.35 1k25 s TYR 3595N -3.95 -0.12 -0.30 0.38 5.04 -1.26 -4.70 117.35 112.44 1k25 s TYR 3595Ca 0.16 -0.22 -0.12 0.00 -2.44 0.00 0.00 57.07 54.45 1k25 s TYR 3595Cb -0.02 0.19 0.17 0.00 0.35 0.00 0.00 41.96 42.65 1k25 s TYR 3595CO 0.06 -0.68 0.91 0.45 -1.34 0.00 0.00 175.55 174.95 1k25 s SER 3596N -2.82 -0.73 0.64 4.32 0.15 -1.26 -4.99 113.70 109.01 1k25 s SER 3596Ca 0.04 0.76 0.28 0.00 0.70 0.00 0.00 55.95 57.73 1k25 s SER 3596Cb 0.02 1.74 1.47 0.00 -1.71 0.00 0.00 66.02 67.54 1k25 s SER 3596CO -0.11 -0.14 1.84 1.23 1.20 0.00 0.00 173.24 177.26 1k25 h GLY 3597N 7.75 0.00 0.69 9.45 0.00 -2.01 1.04 103.07 119.99 1k25 h GLY 3597Ca -0.16 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 1k25 h GLY 3597CO 0.07 0.00 -0.08 -2.22 0.00 0.00 0.00 176.54 174.31 1k25 h ILE 3598N 0.00 0.96 0.65 2.60 2.04 -1.97 -2.28 117.51 119.51 1k25 h ILE 3598Ca 0.08 -0.63 -0.03 0.00 1.00 0.00 0.00 64.86 65.28 1k25 h ILE 3598Cb 0.95 1.34 0.00 0.00 -0.74 0.00 0.00 36.82 38.37 1k25 h ILE 3598CO -0.00 0.14 -0.34 1.56 0.00 0.00 0.00 178.15 179.52 1k25 h GLN 3599N -0.53 -0.87 -0.96 2.37 4.20 0.65 -2.22 115.11 117.75 1k25 h GLN 3599Ca -0.02 0.06 0.29 0.00 0.06 0.00 0.00 58.65 59.04 1k25 h GLN 3599Cb 0.41 0.20 -0.17 0.00 0.30 0.00 0.00 27.48 28.21 1k25 h GLN 3599CO 0.04 -0.58 0.19 1.25 -0.67 0.00 0.00 178.83 179.06 1k25 h LEU 3600N -0.91 -0.18 0.14 1.46 5.85 -1.24 0.49 115.31 120.93 1k25 h LEU 3600Ca -0.09 0.25 0.02 0.00 0.84 0.00 0.00 57.88 58.90 1k25 h LEU 3600Cb 0.70 0.38 -0.04 0.00 0.37 0.00 0.00 40.66 42.07 1k25 h LEU 3600CO 0.13 -0.32 -0.38 1.23 -0.34 0.00 0.00 178.44 178.76 1k25 h GLY 3601N 0.06 -0.77 -0.05 3.75 0.00 -1.09 0.15 103.07 105.12 1k25 h GLY 3601Ca 0.64 0.46 0.17 0.00 0.00 0.00 0.00 47.33 48.60 1k25 h GLY 3601CO -0.82 -0.27 0.86 0.83 0.00 0.00 0.00 176.54 177.14 1k25 h GLU 3602N -0.63 0.00 0.00 4.80 5.08 0.58 -0.09 114.58 124.31 1k25 h GLU 3602Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1k25 h GLU 3602Cb 0.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1k25 h GLU 3602CO -0.21 0.00 -0.07 0.35 -1.00 0.00 0.00 179.01 178.08 1k25 h PHE 3603N 0.00 0.00 0.58 4.33 3.57 -0.34 -3.40 116.94 121.68 1k25 h PHE 3603Ca 0.28 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.75 1k25 h PHE 3603Cb 2.00 0.00 0.01 0.00 2.79 0.00 0.00 35.95 40.74 1k25 h PHE 3603CO 0.00 0.00 -0.28 0.00 -2.23 0.00 0.00 178.31 175.80 1k25 h ALA 3604N -1.26 -0.77 -0.95 2.41 0.00 0.11 -3.22 119.26 115.59 1k25 h ALA 3604Ca 0.00 -0.19 0.20 0.00 0.00 0.00 0.00 54.91 54.93 1k25 h ALA 3604Cb 0.07 0.30 -0.11 0.00 0.00 0.00 0.00 17.79 18.04 1k25 h ALA 3604CO 0.00 -0.89 0.52 1.15 0.00 0.00 0.00 179.25 180.03 1k25 h THR 3605N -0.86 0.61 0.06 0.00 2.02 -1.54 -1.54 112.91 111.65 1k25 h THR 3605Ca -0.08 -0.21 -0.00 0.00 0.77 0.00 0.00 66.41 66.89 1k25 h THR 3605Cb 0.63 -0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 66.99 1k25 h THR 3605CO 0.13 0.11 -0.07 -0.65 0.37 0.00 0.00 175.52 175.41 1k25 h PRO 3606N 0.60 -0.12 -0.97 6.66 0.11 -1.76 -0.82 132.00 135.71 1k25 h PRO 3606Ca 0.57 0.01 0.13 0.00 0.11 0.00 0.00 66.00 66.82 1k25 h PRO 3606Cb 0.97 0.03 -0.15 0.00 0.11 0.00 0.00 31.00 31.96 1k25 h PRO 3606CO -0.44 -0.08 -0.43 -0.89 -0.21 0.00 0.00 178.00 175.95 1k25 n ILE 3607N -2.69 -0.55 0.20 4.15 5.41 -0.82 -0.16 119.36 124.90 1k25 n ILE 3607Ca -0.01 2.29 -0.15 0.00 1.00 0.00 0.00 62.75 65.87 1k25 n ILE 3607Cb 0.06 -2.97 -0.08 0.00 -0.71 0.00 0.00 39.64 35.94 1k25 n ILE 3607CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1k25 h LEU 3608N 0.00 -1.04 -1.50 1.39 3.38 -1.23 0.77 115.31 117.08 1k25 h LEU 3608Ca 0.29 0.10 0.23 0.00 0.09 0.00 0.00 57.88 58.59 1k25 h LEU 3608Cb 0.53 0.36 -0.07 0.00 0.09 0.00 0.00 40.66 41.57 1k25 h LEU 3608CO -0.95 -0.50 0.64 -0.08 0.09 0.00 0.00 178.44 177.64 1k25 h GLU 3609N -0.73 0.36 -0.01 1.13 4.81 -0.07 -1.04 114.58 119.03 1k25 h GLU 3609Ca -0.01 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.11 1k25 h GLU 3609Cb 0.68 -0.08 0.01 0.00 0.63 0.00 0.00 28.75 29.98 1k25 h GLU 3609CO -0.10 0.24 -0.32 -0.09 -0.73 0.00 0.00 179.01 178.01 1k25 h ARG 3610N 0.37 0.23 0.00 1.92 9.65 0.11 -3.17 114.38 123.49 1k25 h ARG 3610Ca 0.52 -0.24 0.00 0.00 -1.10 0.00 0.00 59.98 59.16 1k25 h ARG 3610Cb 1.36 0.06 0.00 0.00 -1.39 0.00 0.00 29.97 30.00 1k25 h ARG 3610CO -0.20 0.95 0.00 0.00 2.80 0.00 0.00 179.97 183.51 1k25 n ALA 3611N -2.54 2.00 -3.41 2.80 0.00 0.25 -5.07 120.51 114.53 1k25 n ALA 3611Ca -0.10 -0.04 -0.19 0.00 0.00 0.00 0.00 53.44 53.11 1k25 n ALA 3611Cb 0.53 -1.12 -0.10 0.00 0.00 0.00 0.00 19.45 18.76 1k25 n ALA 3611CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1k25 s SER 3612N -1.77 1.89 0.00 0.00 0.15 -0.91 -5.05 113.70 108.01 1k25 s SER 3612Ca 0.11 -0.98 0.00 0.00 0.70 0.00 0.00 55.95 55.78 1k25 s SER 3612Cb 0.05 0.38 0.00 0.00 -1.71 0.00 0.00 66.02 64.74 1k25 s SER 3612CO 0.08 -0.38 0.00 0.35 1.20 0.00 0.00 173.24 174.50 1k25 n THR 3632N 5.12 0.00 -3.21 6.45 -2.24 -1.26 -5.06 114.28 114.08 1k25 n THR 3632Ca -0.00 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.39 1k25 n THR 3632Cb 0.45 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.62 1k25 n THR 3632CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1k25 s GLU 3633N 0.00 4.28 -0.00 -0.78 1.03 -1.26 -2.00 118.70 119.97 1k25 s GLU 3633Ca 0.00 0.83 -0.23 0.00 0.03 0.00 0.00 54.97 55.60 1k25 s GLU 3633Cb 0.00 -3.23 -0.05 0.00 -0.80 0.00 0.00 34.13 30.05 1k25 s GLU 3633CO 0.00 0.62 0.67 -1.12 -1.33 0.00 0.00 175.26 174.10 1k25 s SER 3634N -1.14 7.05 -0.08 0.83 0.01 -1.21 -4.83 113.70 114.33 1k25 s SER 3634Ca 0.31 1.26 -0.26 0.00 1.31 0.00 0.00 55.95 58.56 1k25 s SER 3634Cb -0.20 -2.41 -0.03 0.00 0.21 0.00 0.00 66.02 63.59 1k25 s SER 3634CO 0.21 0.02 0.84 -0.55 0.41 0.00 0.00 173.24 174.17 1k25 s SER 3635N 0.08 7.10 -0.19 2.44 0.15 -1.26 -4.87 113.70 117.14 1k25 s SER 3635Ca 0.35 1.33 0.01 0.00 0.70 0.00 0.00 55.95 58.34 1k25 s SER 3635Cb -0.19 -2.48 0.03 0.00 -1.71 0.00 0.00 66.02 61.68 1k25 s SER 3635CO 0.19 -0.27 -0.14 -0.47 1.20 0.00 0.00 173.24 173.76 1k25 s TYR 3636N 1.36 2.61 0.39 3.44 5.04 -1.26 -5.04 117.35 123.88 1k25 s TYR 3636Ca 0.42 -1.65 -0.26 0.00 -2.44 0.00 0.00 57.07 53.15 1k25 s TYR 3636Cb -0.18 -1.76 -0.09 0.00 0.35 0.00 0.00 41.96 40.28 1k25 s TYR 3636CO 0.19 -0.77 1.20 0.00 -1.34 0.00 0.00 175.55 174.83 1k25 s ALA 3637N 1.34 3.21 -0.31 3.97 0.00 -1.26 -2.43 121.76 126.28 1k25 s ALA 3637Ca 0.01 1.03 -0.29 0.00 0.00 0.00 0.00 51.96 52.71 1k25 s ALA 3637Cb -0.15 -3.40 0.01 0.00 0.00 0.00 0.00 23.12 19.57 1k25 s ALA 3637CO -0.10 -0.56 1.25 1.41 0.00 0.00 0.00 175.76 177.76 1k25 s MET 3638N -2.19 3.94 1.37 0.00 1.75 -0.98 -4.84 119.30 118.35 1k25 s MET 3638Ca 0.56 1.19 -0.21 0.00 -1.25 0.00 0.00 55.69 55.97 1k25 s MET 3638Cb -0.33 -3.85 0.35 0.00 2.84 0.00 0.00 34.83 33.84 1k25 s MET 3638CO 0.41 -1.08 0.96 -2.14 -0.65 0.00 0.00 175.02 172.52 1k25 s PRO 3639N 4.07 -2.52 0.61 4.11 0.02 -1.26 0.21 135.00 140.24 1k25 s PRO 3639Ca 0.54 0.19 -0.08 0.00 0.02 0.00 0.00 61.00 61.67 1k25 s PRO 3639Cb -0.15 -1.42 -0.00 0.00 0.02 0.00 0.00 34.50 32.94 1k25 s PRO 3639CO 0.22 -4.62 0.95 -1.54 -0.33 0.00 0.00 177.00 171.68 1k25 s SER 3640N -3.16 5.76 0.00 2.53 1.04 -1.26 -4.29 113.70 114.32 1k25 s SER 3640Ca 0.69 0.96 0.19 0.00 0.48 0.00 0.00 55.95 58.27 1k25 s SER 3640Cb -0.14 -1.97 -0.18 0.00 0.10 0.00 0.00 66.02 63.83 1k25 s SER 3640CO 0.58 -1.02 0.82 0.00 0.98 0.00 0.00 173.24 174.60 1k25 n ILE 3641N -2.66 0.00 -2.34 -1.02 3.06 -1.26 -4.95 119.36 110.18 1k25 n ILE 3641Ca 0.05 -0.08 -0.42 0.00 -2.50 0.00 0.00 62.75 59.79 1k25 n ILE 3641Cb 0.57 1.02 -0.03 0.00 0.54 0.00 0.00 39.64 41.74 1k25 n ILE 3641CO 0.00 0.00 0.00 -0.54 -2.50 0.00 0.00 176.55 173.51 1k25 s LYS 3642N -2.72 4.31 -0.55 9.51 1.02 -1.26 -4.26 119.74 125.79 1k25 s LYS 3642Ca 0.08 1.81 -0.03 0.00 0.02 0.00 0.00 55.97 57.85 1k25 s LYS 3642Cb 0.14 -3.59 0.00 0.00 -0.52 0.00 0.00 37.83 33.87 1k25 s LYS 3642CO 0.74 -0.53 0.56 -0.25 -0.92 0.00 0.00 175.35 174.95 1k25 n ASP 3643N 5.41 -6.80 0.00 2.83 8.00 -1.26 -5.07 116.55 119.66 1k25 n ASP 3643Ca 0.12 0.06 0.00 0.00 0.71 0.00 0.00 54.79 55.68 1k25 n ASP 3643Cb 0.45 -4.56 0.00 0.00 -0.02 0.00 0.00 41.12 36.98 1k25 n ASP 3643CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1k25 n ILE 3644N -1.34 0.00 -2.39 0.53 3.06 -1.26 -5.13 119.36 112.83 1k25 n ILE 3644Ca 0.02 0.00 -0.40 0.00 -2.50 0.00 0.00 62.75 59.87 1k25 n ILE 3644Cb 0.47 0.00 -0.04 0.00 0.54 0.00 0.00 39.64 40.62 1k25 n ILE 3644CO 0.00 0.00 0.00 -0.94 -2.50 0.00 0.00 176.55 173.11 1k25 s SER 3645N 0.00 7.11 0.51 9.51 1.04 -1.26 -3.93 113.70 126.68 1k25 s SER 3645Ca 0.00 2.36 0.35 0.00 0.48 0.00 0.00 55.95 59.14 1k25 s SER 3645Cb 0.00 -2.63 1.49 0.00 0.10 0.00 0.00 66.02 64.98 1k25 s SER 3645CO 0.00 -0.26 1.75 -0.65 0.98 0.00 0.00 173.24 175.06 1k25 h PRO 3646N 3.63 0.07 -0.78 4.02 0.11 -1.87 0.11 132.00 137.31 1k25 h PRO 3646Ca -0.47 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 1k25 h PRO 3646Cb 1.22 -0.02 -0.04 0.00 0.11 0.00 0.00 31.00 32.27 1k25 h PRO 3646CO 0.66 0.05 0.44 0.78 -0.21 0.00 0.00 178.00 179.73 1k25 h GLY 3647N 0.08 1.14 0.85 -0.55 0.00 -1.93 0.06 103.07 102.73 1k25 h GLY 3647Ca 0.64 -0.50 -0.14 0.00 0.00 0.00 0.00 47.33 47.33 1k25 h GLY 3647CO -0.10 0.48 -0.49 1.05 0.00 0.00 0.00 176.54 177.48 1k25 h GLU 3648N 1.07 0.50 -0.40 4.80 4.11 -1.14 -1.85 114.58 121.67 1k25 h GLU 3648Ca 0.28 -0.41 -0.06 0.00 0.07 0.00 0.00 59.36 59.24 1k25 h GLU 3648Cb 0.00 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1k25 h GLU 3648CO -0.05 1.04 0.03 1.25 0.07 0.00 0.00 179.01 181.35 1k25 h LEU 3649N 0.08 0.66 -0.51 3.06 6.46 -1.53 -0.23 115.31 123.29 1k25 h LEU 3649Ca -0.03 -0.29 0.09 0.00 -0.12 0.00 0.00 57.88 57.53 1k25 h LEU 3649Cb 1.14 -0.18 -0.07 0.00 -0.73 0.00 0.00 40.66 40.82 1k25 h LEU 3649CO 0.10 0.78 0.10 0.00 -0.62 0.00 0.00 178.44 178.80 1k25 h ALA 3650N 0.90 0.58 0.56 1.25 0.00 -0.98 0.81 119.26 122.37 1k25 h ALA 3650Ca 0.12 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1k25 h ALA 3650Cb 0.43 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1k25 h ALA 3650CO 0.01 -0.31 -0.39 0.93 0.00 0.00 0.00 179.25 179.50 1k25 h GLU 3651N 0.23 -0.88 -0.77 0.00 5.08 -1.03 -2.46 114.58 114.74 1k25 h GLU 3651Ca 0.26 0.06 0.17 0.00 -1.00 0.00 0.00 59.36 58.85 1k25 h GLU 3651Cb 0.36 0.20 -0.12 0.00 0.50 0.00 0.00 28.75 29.69 1k25 h GLU 3651CO -0.35 -0.59 0.20 0.00 -1.00 0.00 0.00 179.01 177.28 1k25 h ALA 3652N -0.59 1.03 -0.25 3.43 0.00 0.43 0.71 119.26 124.01 1k25 h ALA 3652Ca -0.07 0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1k25 h ALA 3652Cb 0.76 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1k25 h ALA 3652CO 0.04 -0.35 0.06 -0.07 0.00 0.00 0.00 179.25 178.93 1k25 h LEU 3653N 0.28 0.32 -0.65 0.00 3.38 0.84 -1.40 115.31 118.08 1k25 h LEU 3653Ca 0.44 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.38 1k25 h LEU 3653Cb 0.78 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1k25 h LEU 3653CO -0.53 0.34 0.00 0.03 0.09 0.00 0.00 178.44 178.36 1k25 h ARG 3654N 0.36 0.00 0.00 1.13 3.08 -0.41 -0.77 114.38 117.77 1k25 h ARG 3654Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1k25 h ARG 3654Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.19 1k25 h ARG 3654CO -0.00 0.00 -0.04 0.54 -1.07 0.00 0.00 179.97 179.40 1k25 n ARG 3655N -2.85 0.25 -0.28 0.04 1.74 -0.54 -3.16 116.66 111.87 1k25 n ARG 3655Ca 0.03 0.19 0.08 0.00 -0.77 0.00 0.00 57.85 57.38 1k25 n ARG 3655Cb 0.39 -1.78 0.17 0.00 -1.02 0.00 0.00 32.46 30.22 1k25 n ARG 3655CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1k25 n ASN 3656N -2.21 2.34 -3.42 0.55 3.02 -1.07 -5.00 115.26 109.47 1k25 n ASN 3656Ca 0.06 -3.33 -0.16 0.00 -0.03 0.00 0.00 54.58 51.11 1k25 n ASN 3656Cb 0.43 -0.48 0.02 0.00 -0.61 0.00 0.00 39.78 39.14 1k25 n ASN 3656CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1k25 n ILE 3657N -1.25 -7.32 -4.18 2.41 5.41 -1.12 -4.87 119.36 108.42 1k25 n ILE 3657Ca 0.18 -0.54 -0.17 0.00 1.00 0.00 0.00 62.75 63.22 1k25 n ILE 3657Cb 0.70 -5.27 -0.15 0.00 -0.71 0.00 0.00 39.64 34.22 1k25 n ILE 3657CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1k25 s VAL 3658N -3.18 0.46 -0.45 1.39 1.01 -0.32 -0.15 120.40 119.16 1k25 s VAL 3658Ca 0.20 -0.23 -0.16 0.00 0.00 0.00 0.00 61.98 61.79 1k25 s VAL 3658Cb -0.06 -0.40 0.05 0.00 0.00 0.00 0.00 36.38 35.97 1k25 s VAL 3658CO 0.81 0.14 0.41 -1.10 0.00 0.00 0.00 175.10 175.36 1k25 s GLN 3659N -0.01 3.02 0.47 2.72 -0.21 0.13 -3.55 119.66 122.23 1k25 s GLN 3659Ca 0.01 -1.08 -0.04 0.00 0.02 0.00 0.00 55.36 54.26 1k25 s GLN 3659Cb -0.04 -4.06 -0.03 0.00 1.00 0.00 0.00 33.01 29.89 1k25 s GLN 3659CO -0.00 -0.95 0.76 -1.25 -2.12 0.00 0.00 175.29 171.73 1k25 s PRO 3660N 1.89 3.48 -0.34 2.91 0.04 -1.26 -1.87 135.00 139.85 1k25 s PRO 3660Ca 0.07 0.10 -0.00 0.00 0.04 0.00 0.00 61.00 61.22 1k25 s PRO 3660Cb -0.21 -2.41 0.14 0.00 0.04 0.00 0.00 34.50 32.06 1k25 s PRO 3660CO 0.10 -0.20 0.23 0.42 0.04 0.00 0.00 177.00 177.59 1k25 s ILE 3661N -2.70 -0.01 0.24 0.56 1.01 -1.24 -4.87 121.20 114.18 1k25 s ILE 3661Ca 0.47 -1.36 -0.30 0.00 0.00 0.00 0.00 60.65 59.46 1k25 s ILE 3661Cb -0.10 -1.00 -0.10 0.00 0.01 0.00 0.00 42.46 41.26 1k25 s ILE 3661CO 0.44 -0.85 1.45 -0.69 0.00 0.00 0.00 174.94 175.29 1k25 s VAL 3662N 1.37 2.66 -0.33 2.92 1.01 -1.26 -2.38 120.40 124.39 1k25 s VAL 3662Ca 0.16 0.55 -0.01 0.00 0.00 0.00 0.00 61.98 62.67 1k25 s VAL 3662Cb -0.20 -3.35 0.07 0.00 0.00 0.00 0.00 36.38 32.90 1k25 s VAL 3662CO -0.08 0.08 0.06 -0.69 0.00 0.00 0.00 175.10 174.47 1k25 s VAL 3663N 0.09 2.97 0.00 2.92 1.01 0.23 -4.92 120.40 122.71 1k25 s VAL 3663Ca 0.60 -1.67 0.00 0.00 0.00 0.00 0.00 61.98 60.91 1k25 s VAL 3663Cb -0.42 -2.85 0.00 0.00 0.00 0.00 0.00 36.38 33.12 1k25 s VAL 3663CO 0.42 -0.31 0.00 0.61 0.00 0.00 0.00 175.10 175.82 1k25 n GLY 3664N 4.57 0.78 0.94 4.51 0.00 -1.26 0.32 105.19 115.04 1k25 n GLY 3664Ca -0.09 -1.86 0.10 0.00 0.00 0.00 0.00 46.02 44.18 1k25 n GLY 3664CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1k25 n THR 3665N 1.02 0.53 -0.85 2.61 -2.24 0.03 -4.69 114.28 110.70 1k25 n THR 3665Ca 0.00 -0.64 -0.34 0.00 -2.27 0.00 0.00 64.05 60.80 1k25 n THR 3665Cb 0.00 0.54 0.10 0.00 -2.10 0.00 0.00 70.33 68.87 1k25 n THR 3665CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k25 n GLY 3666N 1.35 -2.74 0.32 3.38 0.00 -0.91 -4.86 105.19 101.73 1k25 n GLY 3666Ca 0.18 -0.76 0.03 0.00 0.00 0.00 0.00 46.02 45.47 1k25 n GLY 3666CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1k25 n THR 3667N -3.29 0.79 -4.01 2.61 -2.24 -1.26 -4.71 114.28 102.17 1k25 n THR 3667Ca 0.04 -0.89 -0.21 0.00 -2.27 0.00 0.00 64.05 60.72 1k25 n THR 3667Cb 0.54 0.63 -0.17 0.00 -2.10 0.00 0.00 70.33 69.24 1k25 n THR 3667CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1k25 s LYS 3668N -0.89 0.77 -0.30 -0.78 1.02 -1.26 -4.29 119.74 114.01 1k25 s LYS 3668Ca 0.11 -0.03 -0.29 0.00 0.02 0.00 0.00 55.97 55.78 1k25 s LYS 3668Cb 0.06 -0.90 -0.01 0.00 -0.52 0.00 0.00 37.83 36.46 1k25 s LYS 3668CO 0.08 -0.17 1.52 0.42 -0.92 0.00 0.00 175.35 176.29 1k25 s ILE 3669N 1.31 3.81 -0.08 2.17 1.01 -1.25 -0.92 121.20 127.25 1k25 s ILE 3669Ca -0.05 0.89 -0.27 0.00 0.00 0.00 0.00 60.65 61.22 1k25 s ILE 3669Cb -0.13 -3.91 -0.23 0.00 0.01 0.00 0.00 42.46 38.19 1k25 s ILE 3669CO -0.02 -0.46 1.04 0.50 0.00 0.00 0.00 174.94 176.00 1k25 h LYS 3670N 10.69 0.01 -2.80 2.79 3.64 -1.10 -3.47 116.57 126.32 1k25 h LYS 3670Ca -0.31 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.01 1k25 h LYS 3670Cb 1.13 0.00 -0.16 0.00 -0.41 0.00 0.00 32.23 32.79 1k25 h LYS 3670CO 1.03 0.73 0.04 -2.00 -2.27 0.00 0.00 179.45 176.98 1k25 s GLU 3671N -3.32 1.04 0.34 1.90 2.12 -1.15 -5.02 118.70 114.61 1k25 s GLU 3671Ca -0.17 -0.26 0.07 0.00 0.36 0.00 0.00 54.97 54.97 1k25 s GLU 3671Cb -0.00 0.47 -0.03 0.00 0.26 0.00 0.00 34.13 34.83 1k25 s GLU 3671CO 0.68 -0.38 0.30 0.99 -0.54 0.00 0.00 175.26 176.32 1k25 s THR 3672N -2.53 3.55 -0.23 -1.70 2.01 -1.26 -1.87 115.64 113.62 1k25 s THR 3672Ca -0.05 -1.35 0.22 0.00 0.31 0.00 0.00 61.69 60.82 1k25 s THR 3672Cb -0.01 -3.20 -0.01 0.00 0.01 0.00 0.00 72.50 69.30 1k25 s THR 3672CO -0.02 -0.17 1.03 -1.28 -0.69 0.00 0.00 174.62 173.48 1k25 h SER 3673N 1.23 0.00 -4.25 3.53 0.87 -1.62 -3.47 113.55 109.85 1k25 h SER 3673Ca -0.45 0.00 -0.48 0.00 -1.23 0.00 0.00 61.79 59.63 1k25 h SER 3673Cb 1.25 0.00 -0.28 0.00 -0.44 0.00 0.00 62.40 62.94 1k25 h SER 3673CO 0.58 0.06 -0.81 -0.69 -0.53 0.00 0.00 176.83 175.44 1k25 s VAL 3674N -3.32 1.16 -0.03 2.23 1.01 -1.26 -4.94 120.40 115.25 1k25 s VAL 3674Ca -0.01 -0.75 -0.30 0.00 0.00 0.00 0.00 61.98 60.92 1k25 s VAL 3674Cb 0.09 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.44 1k25 s VAL 3674CO 0.79 0.23 1.31 -1.61 0.00 0.00 0.00 175.10 175.82 1k25 s GLU 3675N -0.60 4.31 -0.58 2.72 8.01 -1.26 -4.92 118.70 126.38 1k25 s GLU 3675Ca 0.05 1.82 -0.38 0.00 0.01 0.00 0.00 54.97 56.48 1k25 s GLU 3675Cb -0.06 -3.57 -0.17 0.00 -4.31 0.00 0.00 34.13 26.01 1k25 s GLU 3675CO 0.00 -0.52 2.31 -1.91 0.01 0.00 0.00 175.26 175.14 1k25 n GLU 3676N 5.35 0.33 0.00 1.61 2.13 -1.26 -0.75 120.64 128.05 1k25 n GLU 3676Ca 0.12 0.07 0.00 0.00 0.66 0.00 0.00 57.16 58.01 1k25 n GLU 3676Cb 0.45 -1.86 0.00 0.00 0.27 0.00 0.00 31.44 30.30 1k25 n GLU 3676CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1k25 n GLY 3677N 6.93 1.10 3.74 8.31 0.00 0.56 -4.91 105.19 120.92 1k25 n GLY 3677Ca 0.53 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.17 1k25 n GLY 3677CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k25 s THR 3678N -1.43 2.14 0.57 2.61 2.01 0.07 -4.14 115.64 117.47 1k25 s THR 3678Ca 0.00 0.10 -0.21 0.00 0.31 0.00 0.00 61.69 61.89 1k25 s THR 3678Cb 0.00 -3.05 -0.04 0.00 0.01 0.00 0.00 72.50 69.42 1k25 s THR 3678CO 0.00 -0.01 1.30 0.21 -0.69 0.00 0.00 174.62 175.43 1k25 s ASN 3679N -1.15 5.19 -0.13 3.53 2.47 -1.26 -2.31 114.94 121.28 1k25 s ASN 3679Ca 0.75 2.62 0.01 0.00 0.42 0.00 0.00 52.86 56.67 1k25 s ASN 3679Cb -0.38 -2.62 0.02 0.00 -1.45 0.00 0.00 41.25 36.81 1k25 s ASN 3679CO 0.44 -1.61 -0.16 -0.22 -3.72 0.00 0.00 177.10 171.83 1k25 s LEU 3680N -3.76 1.75 0.35 3.21 2.96 -1.02 -4.88 118.68 117.30 1k25 s LEU 3680Ca 0.74 -0.47 -0.25 0.00 -0.22 0.00 0.00 54.13 53.93 1k25 s LEU 3680Cb -0.37 -1.16 -0.10 0.00 0.50 0.00 0.00 46.19 45.06 1k25 s LEU 3680CO 0.42 -0.00 0.99 0.00 -1.32 0.00 0.00 176.35 176.44 1k25 s ALA 3681N 1.15 3.17 0.06 5.97 0.00 -1.26 -4.29 121.76 126.56 1k25 s ALA 3681Ca -0.02 0.61 -0.37 0.00 0.00 0.00 0.00 51.96 52.17 1k25 s ALA 3681Cb -0.14 -3.22 -0.16 0.00 0.00 0.00 0.00 23.12 19.59 1k25 s ALA 3681CO -0.05 0.01 1.38 -2.30 0.00 0.00 0.00 175.76 174.81 1k25 n PRO 3682N 0.32 1.20 -1.01 0.00 -0.02 -1.26 -1.29 135.00 132.94 1k25 n PRO 3682Ca 0.03 0.43 -0.00 0.00 -2.02 0.00 0.00 63.50 61.94 1k25 n PRO 3682Cb 0.50 -2.09 -0.00 0.00 -0.02 0.00 0.00 33.50 31.89 1k25 n PRO 3682CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1k25 n ASN 3683N 2.78 -3.76 -3.54 2.55 3.02 0.79 -4.97 115.26 112.13 1k25 n ASN 3683Ca 0.19 0.01 -0.30 0.00 -0.03 0.00 0.00 54.58 54.45 1k25 n ASN 3683Cb 0.19 -1.30 0.29 0.00 -0.61 0.00 0.00 39.78 38.35 1k25 n ASN 3683CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1k25 s GLN 3684N -0.68 -2.87 -0.29 3.52 0.74 -0.41 -4.12 119.66 115.56 1k25 s GLN 3684Ca 0.00 0.24 0.01 0.00 0.05 0.00 0.00 55.36 55.66 1k25 s GLN 3684Cb 0.00 -1.38 0.06 0.00 1.10 0.00 0.00 33.01 32.79 1k25 s GLN 3684CO 0.00 -4.86 -0.05 -0.65 -0.55 0.00 0.00 175.29 169.18 1k25 s GLN 3685N -4.97 2.27 -0.65 1.67 -0.21 -1.24 0.22 119.66 116.75 1k25 s GLN 3685Ca 0.68 -1.36 -0.01 0.00 0.02 0.00 0.00 55.36 54.70 1k25 s GLN 3685Cb -0.15 -3.05 0.16 0.00 1.00 0.00 0.00 33.01 30.97 1k25 s GLN 3685CO 0.59 -0.63 0.46 0.08 -2.12 0.00 0.00 175.29 173.67 1k25 s VAL 3686N 1.15 3.55 0.33 1.09 1.01 -0.78 -4.95 120.40 121.80 1k25 s VAL 3686Ca -0.06 -3.24 -0.27 0.00 0.00 0.00 0.00 61.98 58.42 1k25 s VAL 3686Cb -0.20 -3.32 -0.13 0.00 0.00 0.00 0.00 36.38 32.73 1k25 s VAL 3686CO -0.03 -0.90 1.05 0.18 0.00 0.00 0.00 175.10 175.39 1k25 n LEU 3687N 3.16 2.26 -3.61 3.92 4.77 -1.26 -3.68 117.00 122.55 1k25 n LEU 3687Ca 0.10 1.15 -0.29 0.00 -0.03 0.00 0.00 56.01 56.93 1k25 n LEU 3687Cb 0.36 -1.34 -0.15 0.00 -2.33 0.00 0.00 43.42 39.97 1k25 n LEU 3687CO 0.34 -1.28 -0.33 -0.76 -1.33 0.00 0.00 177.39 174.02 1k25 s LEU 3688N -0.01 1.10 -0.36 2.23 1.43 -1.00 -1.70 118.68 120.37 1k25 s LEU 3688Ca 0.59 -1.36 -0.25 0.00 -1.03 0.00 0.00 54.13 52.09 1k25 s LEU 3688Cb -0.64 -0.52 0.01 0.00 0.03 0.00 0.00 46.19 45.07 1k25 s LEU 3688CO 0.60 -0.42 0.86 -0.22 0.23 0.00 0.00 176.35 177.40 1k25 s LEU 3689N 1.94 4.05 0.74 1.79 0.20 -0.78 0.78 118.68 127.40 1k25 s LEU 3689Ca 0.09 0.51 -0.11 0.00 0.69 0.00 0.00 54.13 55.30 1k25 s LEU 3689Cb -0.16 -3.16 0.03 0.00 -0.43 0.00 0.00 46.19 42.47 1k25 s LEU 3689CO -0.31 -0.79 1.09 -0.94 -0.29 0.00 0.00 176.35 175.10 1k25 s SER 3690N 1.84 5.08 0.00 3.68 1.04 0.15 -0.57 113.70 124.92 1k25 s SER 3690Ca 0.35 1.31 0.09 0.00 0.48 0.00 0.00 55.95 58.18 1k25 s SER 3690Cb -0.13 -2.11 0.51 0.00 0.10 0.00 0.00 66.02 64.39 1k25 s SER 3690CO 0.17 -1.60 1.00 -0.90 0.98 0.00 0.00 173.24 172.89 1k25 n ASP 3691N -3.19 0.00 -3.48 7.02 5.75 -0.10 -4.19 116.55 118.35 1k25 n ASP 3691Ca 0.07 -0.86 -0.29 0.00 -0.01 0.00 0.00 54.79 53.70 1k25 n ASP 3691Cb 0.56 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 40.52 1k25 n ASP 3691CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 1k25 s LYS 3692N -2.00 0.43 -0.65 0.11 2.20 -1.26 -4.88 119.74 113.69 1k25 s LYS 3692Ca 0.13 -1.06 -0.05 0.00 -0.36 0.00 0.00 55.97 54.63 1k25 s LYS 3692Cb 0.06 -1.24 0.17 0.00 -1.51 0.00 0.00 37.83 35.31 1k25 s LYS 3692CO 0.10 -1.15 0.49 0.08 -0.36 0.00 0.00 175.35 174.51 1k25 s VAL 3693N 1.41 4.04 -0.12 4.02 1.01 -1.26 -0.79 120.40 128.71 1k25 s VAL 3693Ca 0.15 -2.83 -0.05 0.00 0.00 0.00 0.00 61.98 59.25 1k25 s VAL 3693Cb -0.21 -3.60 -0.25 0.00 0.00 0.00 0.00 36.38 32.32 1k25 s VAL 3693CO -0.11 -0.90 0.35 -0.62 0.00 0.00 0.00 175.10 173.82 1k25 n GLU 3694N 3.62 0.74 -4.49 2.72 1.02 -1.26 -4.94 120.64 118.05 1k25 n GLU 3694Ca 0.08 0.26 -0.27 0.00 -0.02 0.00 0.00 57.16 57.21 1k25 n GLU 3694Cb 0.39 -1.70 -0.13 0.00 -0.02 0.00 0.00 31.44 29.98 1k25 n GLU 3694CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1k25 s GLU 3695N -2.56 1.36 0.44 3.49 2.02 -1.26 -2.12 118.70 120.07 1k25 s GLU 3695Ca -0.22 -1.15 -0.23 0.00 0.02 0.00 0.00 54.97 53.40 1k25 s GLU 3695Cb 0.07 -1.63 -0.11 0.00 0.10 0.00 0.00 34.13 32.56 1k25 s GLU 3695CO 0.76 0.40 0.79 -0.89 0.02 0.00 0.00 175.26 176.34 1k25 n ILE 3696N 1.34 2.26 -2.73 -1.63 2.08 -0.74 -4.77 119.36 115.18 1k25 n ILE 3696Ca -0.18 -0.50 -0.21 0.00 0.56 0.00 0.00 62.75 62.42 1k25 n ILE 3696Cb 0.53 -0.87 0.03 0.00 -0.75 0.00 0.00 39.64 38.58 1k25 n ILE 3696CO 0.00 0.00 0.00 -2.84 0.56 0.00 0.00 176.55 174.27 1k25 s PRO 3697N -1.89 2.65 -0.38 0.38 0.02 -1.26 -2.15 135.00 132.37 1k25 s PRO 3697Ca 0.64 -0.77 -0.26 0.00 0.02 0.00 0.00 61.00 60.64 1k25 s PRO 3697Cb -0.56 -2.52 0.02 0.00 0.02 0.00 0.00 34.50 31.45 1k25 s PRO 3697CO 0.56 -0.61 0.93 0.34 -0.33 0.00 0.00 177.00 177.90 1k25 s ASP 3698N -4.38 6.65 0.00 2.53 -1.08 -1.26 -4.53 116.67 114.60 1k25 s ASP 3698Ca 0.56 0.52 0.20 0.00 -0.52 0.00 0.00 52.55 53.30 1k25 s ASP 3698Cb -0.10 -2.47 0.55 0.00 -1.46 0.00 0.00 42.92 39.44 1k25 s ASP 3698CO 0.38 -0.90 1.46 0.23 0.52 0.00 0.00 175.17 176.86 1k25 n MET 3699N 6.87 2.43 -1.65 4.34 2.81 -1.26 -4.91 117.12 125.74 1k25 n MET 3699Ca 0.07 -2.21 -0.47 0.00 -1.81 0.00 0.00 57.70 53.28 1k25 n MET 3699Cb 0.48 -1.48 -0.04 0.00 -0.71 0.00 0.00 33.22 31.46 1k25 n MET 3699CO 0.00 0.00 0.00 0.98 1.51 0.00 0.00 175.97 178.46 1k25 n TYR 3700N 1.31 2.13 0.00 2.03 4.19 -1.26 -3.57 117.16 121.99 1k25 n TYR 3700Ca 0.21 0.34 0.00 0.00 3.31 0.00 0.00 57.90 61.76 1k25 n TYR 3700Cb 0.53 -2.50 0.00 0.00 0.49 0.00 0.00 39.34 37.86 1k25 n TYR 3700CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1k25 n GLY 3701N 3.21 0.95 1.26 2.98 0.00 -1.18 -4.58 105.19 107.83 1k25 n GLY 3701Ca 0.17 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.29 1k25 n GLY 3701CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1k25 n TRP 3702N 0.00 0.00 -0.69 1.61 7.02 -1.23 -0.90 117.44 123.25 1k25 n TRP 3702Ca 0.00 0.00 -0.32 0.00 -1.02 0.00 0.00 57.50 56.16 1k25 n TRP 3702Cb 0.00 -0.49 0.17 0.00 -2.42 0.00 0.00 31.31 28.57 1k25 n TRP 3702CO 0.00 0.00 0.00 0.36 -2.02 0.00 0.00 177.69 176.03 1k25 n LYS 3703N 1.75 -1.05 0.24 -0.99 0.00 -1.26 -2.82 118.16 114.03 1k25 n LYS 3703Ca 0.00 -0.27 -0.16 0.00 -0.00 0.00 0.00 58.31 57.89 1k25 n LYS 3703Cb 0.00 -1.95 -0.08 0.00 -0.00 0.00 0.00 35.03 33.00 1k25 n LYS 3703CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 1k25 h LYS 3704N -1.95 -0.67 -0.87 -1.58 3.64 -1.77 -1.25 116.57 112.12 1k25 h LYS 3704Ca -0.49 0.05 0.12 0.00 -1.27 0.00 0.00 60.65 59.05 1k25 h LYS 3704Cb 1.31 0.15 -0.13 0.00 -0.41 0.00 0.00 32.23 33.15 1k25 h LYS 3704CO 0.39 -0.44 -0.38 -1.91 -2.27 0.00 0.00 179.45 174.83 1k25 n GLU 3705N -5.43 -0.25 -0.29 1.90 2.13 -1.26 0.06 120.64 117.50 1k25 n GLU 3705Ca -0.10 1.34 -0.04 0.00 0.66 0.00 0.00 57.16 59.01 1k25 n GLU 3705Cb 0.33 -1.98 0.07 0.00 0.27 0.00 0.00 31.44 30.12 1k25 n GLU 3705CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 1k25 h THR 3706N 0.00 1.22 -0.46 6.31 2.02 -1.79 0.28 112.91 120.49 1k25 h THR 3706Ca 0.26 -0.49 0.13 0.00 0.77 0.00 0.00 66.41 67.09 1k25 h THR 3706Cb 0.48 0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 66.98 1k25 h THR 3706CO -0.86 0.23 0.36 0.00 0.37 0.00 0.00 175.52 175.63 1k25 h ALA 3707N 1.26 2.34 0.06 6.16 0.00 0.83 -1.18 119.26 128.73 1k25 h ALA 3707Ca 0.29 -0.02 -0.30 0.00 0.00 0.00 0.00 54.91 54.88 1k25 h ALA 3707Cb -0.04 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1k25 h ALA 3707CO -0.05 -0.60 -1.66 0.39 0.00 0.00 0.00 179.25 177.33 1k25 n GLU 3708N -4.20 0.65 -0.24 0.00 1.02 -0.51 -3.18 120.64 114.19 1k25 n GLU 3708Ca 0.08 0.42 0.32 0.00 -0.02 0.00 0.00 57.16 57.96 1k25 n GLU 3708Cb 0.56 -1.72 0.73 0.00 -0.02 0.00 0.00 31.44 30.99 1k25 n GLU 3708CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1k25 h THR 3709N -0.51 0.38 0.11 2.62 2.02 0.34 1.19 112.91 119.05 1k25 h THR 3709Ca -0.40 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 66.64 1k25 h THR 3709Cb 1.65 0.42 0.02 0.00 -1.74 0.00 0.00 68.15 68.50 1k25 h THR 3709CO -0.09 0.00 -0.61 0.15 0.37 0.00 0.00 175.52 175.34 1k25 h PHE 3710N 0.00 0.41 -0.31 3.16 3.57 -1.38 -3.26 116.94 119.12 1k25 h PHE 3710Ca 0.49 -0.30 0.06 0.00 3.53 0.00 0.00 57.97 61.76 1k25 h PHE 3710Cb 2.09 -0.02 -0.06 0.00 2.79 0.00 0.00 35.95 40.75 1k25 h PHE 3710CO 0.00 1.23 -0.11 0.00 -2.23 0.00 0.00 178.31 177.21 1k25 h ALA 3711N 0.06 0.16 -1.01 2.41 0.00 0.11 -2.08 119.26 118.91 1k25 h ALA 3711Ca -0.11 0.12 0.23 0.00 0.00 0.00 0.00 54.91 55.15 1k25 h ALA 3711Cb 1.48 0.28 -0.11 0.00 0.00 0.00 0.00 17.79 19.45 1k25 h ALA 3711CO 0.11 -0.49 0.62 -0.22 0.00 0.00 0.00 179.25 179.27 1k25 h LYS 3712N -0.04 0.58 0.04 0.00 3.64 0.19 -2.51 116.57 118.46 1k25 h LYS 3712Ca 0.15 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1k25 h LYS 3712Cb 0.28 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1k25 h LYS 3712CO -0.34 0.38 -0.02 -1.49 -2.27 0.00 0.00 179.45 175.71 1k25 h TRP 3713N 0.60 -0.05 -0.33 1.91 6.55 -1.42 -3.35 115.95 119.86 1k25 h TRP 3713Ca 0.61 -0.00 -0.20 0.00 0.95 0.00 0.00 58.89 60.25 1k25 h TRP 3713Cb 1.18 0.02 -0.10 0.00 -0.86 0.00 0.00 29.16 29.39 1k25 h TRP 3713CO -0.00 0.60 0.25 1.28 -1.05 0.00 0.00 178.44 179.52 1k25 n LEU 3714N -4.74 5.18 -3.79 -4.49 4.77 -1.06 -4.84 117.00 108.02 1k25 n LEU 3714Ca -0.08 -2.61 -0.30 0.00 -0.03 0.00 0.00 56.01 52.99 1k25 n LEU 3714Cb 0.33 -0.85 -0.06 0.00 -2.33 0.00 0.00 43.42 40.51 1k25 n LEU 3714CO 0.26 0.92 -0.11 0.47 -1.33 0.00 0.00 177.39 177.60 1k25 n ASP 3715N 0.34 -1.45 -4.90 -1.43 9.92 -1.14 -4.89 116.55 112.98 1k25 n ASP 3715Ca 0.20 -0.81 -0.33 0.00 -0.53 0.00 0.00 54.79 53.32 1k25 n ASP 3715Cb 0.72 -1.29 -0.05 0.00 -0.64 0.00 0.00 41.12 39.86 1k25 n ASP 3715CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1k25 s ILE 3716N -2.73 5.38 -0.11 0.53 1.01 -0.96 -4.96 121.20 119.36 1k25 s ILE 3716Ca 0.60 -0.10 -0.15 0.00 0.00 0.00 0.00 60.65 61.00 1k25 s ILE 3716Cb -0.35 -3.57 -0.05 0.00 0.01 0.00 0.00 42.46 38.51 1k25 s ILE 3716CO 0.73 0.28 0.36 -1.61 0.00 0.00 0.00 174.94 174.70 1k25 s GLU 3717N -2.04 4.17 -0.11 2.79 2.02 -0.76 -4.57 118.70 120.20 1k25 s GLU 3717Ca 0.30 0.24 0.03 0.00 0.02 0.00 0.00 54.97 55.56 1k25 s GLU 3717Cb -0.13 -3.38 -0.00 0.00 0.10 0.00 0.00 34.13 30.73 1k25 s GLU 3717CO 0.20 0.33 -0.22 -0.51 0.02 0.00 0.00 175.26 175.08 1k25 s LEU 3718N 0.13 2.17 -0.30 1.80 1.43 -1.26 0.16 118.68 122.81 1k25 s LEU 3718Ca 0.20 -0.54 0.03 0.00 -1.03 0.00 0.00 54.13 52.80 1k25 s LEU 3718Cb -0.14 -1.44 0.08 0.00 0.03 0.00 0.00 46.19 44.72 1k25 s LEU 3718CO 0.07 0.15 -0.03 -0.70 0.23 0.00 0.00 176.35 176.08 1k25 s GLU 3719N 0.40 1.82 -0.20 1.70 2.12 -0.64 -4.98 118.70 118.93 1k25 s GLU 3719Ca -0.17 -1.59 -0.29 0.00 0.36 0.00 0.00 54.97 53.28 1k25 s GLU 3719Cb -0.17 -3.02 -0.00 0.00 0.26 0.00 0.00 34.13 31.20 1k25 s GLU 3719CO 0.07 -0.76 1.14 -0.06 -0.54 0.00 0.00 175.26 175.11 1k25 s PHE 3720N 1.02 3.12 0.23 5.30 0.08 -1.26 -1.64 117.98 124.82 1k25 s PHE 3720Ca 0.01 1.26 -0.01 0.00 0.12 0.00 0.00 56.93 58.31 1k25 s PHE 3720Cb -0.19 -3.38 -0.04 0.00 -0.57 0.00 0.00 43.02 38.83 1k25 s PHE 3720CO -0.07 -1.02 0.43 -1.83 -0.10 0.00 0.00 175.22 172.62 1k25 s GLU 3721N 3.35 3.53 4.74 0.44 4.04 -0.14 -4.93 118.70 129.73 1k25 s GLU 3721Ca 0.49 -0.30 0.00 0.00 0.04 0.00 0.00 54.97 55.20 1k25 s GLU 3721Cb -0.18 -2.80 0.00 0.00 0.02 0.00 0.00 34.13 31.18 1k25 s GLU 3721CO 0.10 0.35 0.00 0.41 -1.84 0.00 0.00 175.26 174.28 1k25 n GLY 3722N -0.81 1.62 3.30 -3.83 0.00 -1.26 -0.30 105.19 103.91 1k25 n GLY 3722Ca -0.04 -0.60 -0.08 0.00 0.00 0.00 0.00 46.02 45.29 1k25 n GLY 3722CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1k25 s SER 3723N -4.00 -0.36 0.10 1.61 1.04 -1.25 -4.81 113.70 106.02 1k25 s SER 3723Ca 0.00 1.02 -0.25 0.00 0.48 0.00 0.00 55.95 57.20 1k25 s SER 3723Cb 0.00 1.30 0.08 0.00 0.10 0.00 0.00 66.02 67.50 1k25 s SER 3723CO 0.00 -0.22 1.14 -0.83 0.98 0.00 0.00 173.24 174.31 1k25 s GLY 3724N 2.39 0.04 0.02 7.32 0.00 -1.26 -4.25 107.32 111.57 1k25 s GLY 3724Ca -0.04 -0.22 0.21 0.00 0.00 0.00 0.00 44.72 44.67 1k25 s GLY 3724CO -0.13 3.98 0.62 -1.14 0.00 0.00 0.00 173.10 176.43 1k25 n SER 3725N -1.20 0.33 -4.04 1.64 3.41 -1.08 -4.74 113.62 107.94 1k25 n SER 3725Ca 0.00 0.13 -0.10 0.00 -0.26 0.00 0.00 58.87 58.65 1k25 n SER 3725Cb 0.59 1.24 -0.07 0.00 -0.26 0.00 0.00 64.21 65.71 1k25 n SER 3725CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1k25 s VAL 3726N -3.28 0.02 0.55 -3.33 0.11 0.12 -2.28 120.40 112.30 1k25 s VAL 3726Ca -0.06 -1.56 -0.20 0.00 -2.93 0.00 0.00 61.98 57.24 1k25 s VAL 3726Cb 0.11 -2.17 -0.05 0.00 -1.53 0.00 0.00 36.38 32.73 1k25 s VAL 3726CO 0.86 -0.09 1.16 -0.69 -3.33 0.00 0.00 175.10 173.01 1k25 s VAL 3727N -4.04 2.97 0.00 2.04 1.01 -0.08 -0.61 120.40 121.69 1k25 s VAL 3727Ca 0.25 0.62 0.00 0.00 0.00 0.00 0.00 61.98 62.85 1k25 s VAL 3727Cb 0.02 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 33.15 1k25 s VAL 3727CO 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 175.10 175.06 1k25 n GLN 3728N -1.29 0.00 -3.67 2.72 6.02 -0.91 -3.08 117.38 117.17 1k25 n GLN 3728Ca 0.12 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.98 1k25 n GLN 3728Cb 0.50 -0.07 -0.08 0.00 1.02 0.00 0.00 30.24 31.61 1k25 n GLN 3728CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1k25 s LYS 3729N 0.00 0.68 -0.06 -1.09 1.02 -1.21 -4.95 119.74 114.12 1k25 s LYS 3729Ca 0.00 0.87 -0.02 0.00 0.02 0.00 0.00 55.97 56.83 1k25 s LYS 3729Cb 0.00 0.29 0.04 0.00 -0.52 0.00 0.00 37.83 37.64 1k25 s LYS 3729CO 0.00 -0.10 0.12 1.14 -0.92 0.00 0.00 175.35 175.60 1k25 s GLN 3730N 0.53 0.03 0.28 1.68 -2.07 -1.26 -2.17 119.66 116.68 1k25 s GLN 3730Ca -0.02 0.40 0.24 0.00 -1.82 0.00 0.00 55.36 54.16 1k25 s GLN 3730Cb -0.05 -0.26 1.03 0.00 -1.09 0.00 0.00 33.01 32.65 1k25 s GLN 3730CO -0.02 -0.23 1.71 -0.40 -1.32 0.00 0.00 175.29 175.03 1k25 n ASP 3731N 4.67 0.68 -3.95 12.60 5.75 -1.24 -3.73 116.55 131.33 1k25 n ASP 3731Ca -0.17 0.69 -0.32 0.00 -0.01 0.00 0.00 54.79 54.97 1k25 n ASP 3731Cb 0.51 -0.82 -0.09 0.00 -1.03 0.00 0.00 41.12 39.69 1k25 n ASP 3731CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1k25 n VAL 3732N -2.27 2.49 -1.53 2.12 0.31 -1.26 -5.03 118.33 113.16 1k25 n VAL 3732Ca 0.01 -5.06 -0.46 0.00 -0.01 0.00 0.00 64.34 58.82 1k25 n VAL 3732Cb 0.20 -2.26 -0.02 0.00 -0.91 0.00 0.00 33.84 30.84 1k25 n VAL 3732CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 1k25 n ARG 3733N 1.97 0.88 -1.27 5.55 1.85 -1.24 -4.76 116.66 119.63 1k25 n ARG 3733Ca 0.22 0.31 -0.47 0.00 -1.00 0.00 0.00 57.85 56.91 1k25 n ARG 3733Cb 0.36 -1.58 -0.05 0.00 -1.05 0.00 0.00 32.46 30.15 1k25 n ARG 3733CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1k25 n THR 3734N 0.29 0.82 -0.59 8.89 -2.24 -1.26 -2.76 114.28 117.44 1k25 n THR 3734Ca 0.13 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1k25 n THR 3734Cb 0.29 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 1k25 n THR 3734CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1k25 n ASN 3735N 1.52 0.00 -4.76 3.42 3.02 -0.91 -4.99 115.26 112.55 1k25 n ASN 3735Ca 0.17 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.31 1k25 n ASN 3735Cb 0.14 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.29 1k25 n ASN 3735CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1k25 s THR 3736N -3.20 2.79 0.42 3.41 2.01 -1.11 -4.69 115.64 115.27 1k25 s THR 3736Ca 0.00 0.77 -0.24 0.00 0.31 0.00 0.00 61.69 62.53 1k25 s THR 3736Cb 0.00 -3.49 -0.11 0.00 0.01 0.00 0.00 72.50 68.91 1k25 s THR 3736CO 0.00 0.17 0.98 0.00 -0.69 0.00 0.00 174.62 175.08 1k25 n ALA 3737N 1.13 0.07 -0.05 7.40 0.00 -1.26 -1.78 120.51 126.01 1k25 n ALA 3737Ca 0.01 0.23 -0.09 0.00 0.00 0.00 0.00 53.44 53.59 1k25 n ALA 3737Cb 0.42 -2.06 -0.15 0.00 0.00 0.00 0.00 19.45 17.66 1k25 n ALA 3737CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1k25 n ILE 3738N -0.50 1.48 0.25 0.00 3.06 -0.90 -4.33 119.36 118.42 1k25 n ILE 3738Ca 0.10 -0.81 0.05 0.00 -2.50 0.00 0.00 62.75 59.58 1k25 n ILE 3738Cb 0.39 -0.78 0.12 0.00 0.54 0.00 0.00 39.64 39.91 1k25 n ILE 3738CO 0.00 0.00 0.00 0.11 -2.50 0.00 0.00 176.55 174.16 1k25 h LYS 3739N 0.00 0.00 0.00 9.51 1.79 -1.91 -2.37 116.57 123.59 1k25 h LYS 3739Ca -0.39 0.00 -0.25 0.00 -2.18 0.00 0.00 60.65 57.84 1k25 h LYS 3739Cb 2.08 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 32.69 1k25 h LYS 3739CO 0.06 0.00 -1.83 0.09 -1.08 0.00 0.00 179.45 176.69 1k25 n ASN 3740N -2.64 1.25 -3.51 0.86 3.02 -1.26 -4.99 115.26 108.00 1k25 n ASN 3740Ca 0.03 0.15 -0.48 0.00 -0.03 0.00 0.00 54.58 54.25 1k25 n ASN 3740Cb 1.03 -0.41 -0.10 0.00 -0.61 0.00 0.00 39.78 39.69 1k25 n ASN 3740CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1k25 n ILE 3741N -3.58 0.00 0.57 2.41 -0.00 -0.89 -4.78 119.36 113.08 1k25 n ILE 3741Ca -0.29 0.00 0.08 0.00 -0.00 0.00 0.00 62.75 62.54 1k25 n ILE 3741Cb 0.71 -0.41 -0.10 0.00 -0.00 0.00 0.00 39.64 39.84 1k25 n ILE 3741CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 1k25 n LYS 3742N 6.22 1.48 -3.65 0.38 5.02 -1.26 -4.87 118.16 121.47 1k25 n LYS 3742Ca 0.46 -0.04 -0.15 0.00 -2.02 0.00 0.00 58.31 56.56 1k25 n LYS 3742Cb -0.03 -1.28 -0.08 0.00 -0.02 0.00 0.00 35.03 33.63 1k25 n LYS 3742CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1k25 s LYS 3743N -2.64 0.81 -0.03 1.97 2.20 -1.26 -1.83 119.74 118.96 1k25 s LYS 3743Ca 0.03 0.23 0.00 0.00 -0.36 0.00 0.00 55.97 55.87 1k25 s LYS 3743Cb 0.12 0.38 0.03 0.00 -1.51 0.00 0.00 37.83 36.84 1k25 s LYS 3743CO 0.65 -0.21 0.01 0.42 -0.36 0.00 0.00 175.35 175.87 1k25 s ILE 3744N -0.85 0.09 -0.37 5.43 1.01 0.42 -4.87 121.20 122.06 1k25 s ILE 3744Ca -0.09 0.14 -0.12 0.00 0.00 0.00 0.00 60.65 60.58 1k25 s ILE 3744Cb -0.03 -0.20 0.02 0.00 0.01 0.00 0.00 42.46 42.26 1k25 s ILE 3744CO 0.06 0.13 0.22 -0.54 0.00 0.00 0.00 174.94 174.80 1k25 s LYS 3745N 1.06 3.01 -0.37 2.79 1.02 -1.26 -1.61 119.74 124.38 1k25 s LYS 3745Ca -0.09 -0.96 -0.11 0.00 0.02 0.00 0.00 55.97 54.83 1k25 s LYS 3745Cb -0.13 -3.75 0.02 0.00 -0.52 0.00 0.00 37.83 33.45 1k25 s LYS 3745CO -0.02 -0.63 0.21 -0.51 -0.92 0.00 0.00 175.35 173.48 1k25 s LEU 3746N 1.60 4.69 0.21 3.17 1.43 -0.65 -3.62 118.68 125.51 1k25 s LEU 3746Ca 0.03 -0.92 -0.30 0.00 -1.03 0.00 0.00 54.13 51.92 1k25 s LEU 3746Cb -0.19 -2.04 -0.09 0.00 0.03 0.00 0.00 46.19 43.91 1k25 s LEU 3746CO 0.08 -0.37 1.28 -0.89 0.23 0.00 0.00 176.35 176.68 1k25 s THR 3747N 1.58 3.25 -0.04 5.49 2.01 -0.92 -0.97 115.64 126.03 1k25 s THR 3747Ca 0.03 1.05 -0.04 0.00 0.31 0.00 0.00 61.69 63.04 1k25 s THR 3747Cb -0.19 -3.67 -0.04 0.00 0.01 0.00 0.00 72.50 68.61 1k25 s THR 3747CO 0.07 0.17 0.17 -0.76 -0.69 0.00 0.00 174.62 173.58 1k25 s LEU 3748N -0.29 4.38 0.00 4.42 1.43 0.59 -2.14 118.68 127.07 1k25 s LEU 3748Ca 0.55 0.39 0.00 0.00 -1.03 0.00 0.00 54.13 54.04 1k25 s LEU 3748Cb -0.36 -2.45 0.00 0.00 0.03 0.00 0.00 46.19 43.41 1k25 s LEU 3748CO 0.39 0.31 0.00 0.61 0.23 0.00 0.00 176.35 177.89