#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k57 s THR 23 N 0.00 3.71 -0.10 9.51 -4.23 -0.18 -4.98 115.64 119.37 1k57 s THR 23 Ca 0.00 -1.42 -0.15 0.00 -1.18 0.00 0.00 61.69 58.94 1k57 s THR 23 Cb 0.00 -2.87 -0.05 0.00 1.34 0.00 0.00 72.50 70.93 1k57 s THR 23 CO 0.00 -0.11 0.36 -0.70 -0.54 0.00 0.00 174.62 173.63 1k57 s GLU 24 N -2.93 4.11 -0.50 3.99 2.12 -1.26 -1.15 118.70 123.07 1k57 s GLU 24 Ca 0.27 0.26 0.04 0.00 0.36 0.00 0.00 54.97 55.90 1k57 s GLU 24 Cb -0.09 -3.34 0.13 0.00 0.26 0.00 0.00 34.13 31.08 1k57 s GLU 24 CO 0.18 0.40 0.25 1.21 -0.54 0.00 0.00 175.26 176.77 1k57 s ASN 25 N -0.10 4.19 0.21 -1.70 3.84 0.14 -4.91 114.94 116.62 1k57 s ASN 25 Ca 0.21 -2.91 0.21 0.00 0.21 0.00 0.00 52.86 50.58 1k57 s ASN 25 Cb -0.15 -1.52 0.90 0.00 -0.55 0.00 0.00 41.25 39.94 1k57 s ASN 25 CO 0.08 -0.24 1.64 0.35 -2.79 0.00 0.00 177.10 176.14 1k57 n THR 26 N 3.23 0.91 0.30 -5.21 -2.24 -1.26 -2.02 114.28 107.99 1k57 n THR 26 Ca 0.06 0.28 0.18 0.00 -2.27 0.00 0.00 64.05 62.30 1k57 n THR 26 Cb 0.33 -1.19 0.81 0.00 -2.10 0.00 0.00 70.33 68.18 1k57 n THR 26 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1k57 h SER 27 N 0.00 0.00 0.84 3.42 4.64 -1.93 -1.45 113.55 119.07 1k57 h SER 27 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1k57 h SER 27 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1k57 h SER 27 CO 0.00 0.00 0.00 -0.50 -0.87 0.00 0.00 176.83 175.46 1k57 h TRP 28 N 0.00 0.00 -0.01 4.77 6.55 -1.77 -2.98 115.95 122.52 1k57 h TRP 28 Ca 0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 1k57 h TRP 28 Cb 0.34 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 28.64 1k57 h TRP 28 CO 0.00 0.00 0.01 -0.91 -1.05 0.00 0.00 178.44 176.49 1k57 h ASN 29 N 0.00 0.00 -1.00 -3.49 2.35 -1.46 -2.49 115.58 109.48 1k57 h ASN 29 Ca 0.00 0.00 0.21 0.00 -0.55 0.00 0.00 56.30 55.96 1k57 h ASN 29 Cb 0.42 0.00 -0.11 0.00 0.05 0.00 0.00 38.32 38.68 1k57 h ASN 29 CO 0.00 0.00 0.61 0.07 -1.65 0.00 0.00 177.43 176.46 1k57 h LYS 30 N 0.00 0.66 0.00 0.81 2.10 -1.73 0.53 116.57 118.94 1k57 h LYS 30 Ca 0.00 -0.04 -0.03 0.00 -2.00 0.00 0.00 60.65 58.58 1k57 h LYS 30 Cb 0.02 -0.15 -0.00 0.00 -0.90 0.00 0.00 32.23 31.19 1k57 h LYS 30 CO -0.00 0.44 -0.14 0.93 -2.00 0.00 0.00 179.45 178.68 1k57 h GLU 31 N 0.68 0.00 0.04 0.07 4.39 -1.70 -2.32 114.58 115.75 1k57 h GLU 31 Ca 0.60 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 59.99 1k57 h GLU 31 Cb 1.04 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.66 1k57 h GLU 31 CO -0.41 0.14 -1.76 0.74 -1.16 0.00 0.00 179.01 176.56 1k57 h PHE 32 N 0.00 0.17 -0.20 4.33 -1.00 -1.08 -3.40 116.94 115.76 1k57 h PHE 32 Ca -0.00 -0.12 -0.16 0.00 2.81 0.00 0.00 57.97 60.49 1k57 h PHE 32 Cb 0.41 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 39.96 1k57 h PHE 32 CO 0.00 1.25 -0.55 0.66 -1.61 0.00 0.00 178.31 178.07 1k57 h SER 33 N 0.03 0.67 0.15 2.17 4.64 -0.72 -1.55 113.55 118.93 1k57 h SER 33 Ca -0.32 -0.36 -0.00 0.00 -0.47 0.00 0.00 61.79 60.64 1k57 h SER 33 Cb 2.02 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 63.91 1k57 h SER 33 CO 0.09 1.08 -0.02 0.00 -0.87 0.00 0.00 176.83 177.11 1k57 h ALA 34 N 0.93 1.19 -0.02 5.18 0.00 -1.75 -0.03 119.26 124.77 1k57 h ALA 34 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1k57 h ALA 34 Cb 1.10 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1k57 h ALA 34 CO 0.11 0.02 -0.02 0.39 0.00 0.00 0.00 179.25 179.75 1k57 n GLU 35 N -3.39 1.41 -3.64 0.00 -0.58 -1.00 -4.97 120.64 108.46 1k57 n GLU 35 Ca -0.02 -1.48 -0.21 0.00 -0.42 0.00 0.00 57.16 55.02 1k57 n GLU 35 Cb 0.12 -1.33 0.05 0.00 -0.57 0.00 0.00 31.44 29.72 1k57 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1k57 n ALA 36 N 0.90 -1.87 -2.69 0.62 0.00 -0.02 -5.00 120.51 112.45 1k57 n ALA 36 Ca 0.10 -0.04 -0.33 0.00 0.00 0.00 0.00 53.44 53.16 1k57 n ALA 36 Cb 0.42 -2.68 -0.13 0.00 0.00 0.00 0.00 19.45 17.07 1k57 n ALA 36 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1k57 s VAL 37 N -3.51 3.37 -0.24 0.00 -7.23 -0.62 -5.04 120.40 107.12 1k57 s VAL 37 Ca 0.13 -0.59 -0.15 0.00 -1.81 0.00 0.00 61.98 59.56 1k57 s VAL 37 Cb -0.06 -2.38 -0.04 0.00 0.56 0.00 0.00 36.38 34.46 1k57 s VAL 37 CO 0.78 0.57 0.39 0.20 -0.31 0.00 0.00 175.10 176.73 1k57 s ASN 38 N -0.42 6.33 0.11 4.85 0.01 -1.26 -4.53 114.94 120.02 1k57 s ASN 38 Ca 0.06 0.38 -0.11 0.00 -0.71 0.00 0.00 52.86 52.48 1k57 s ASN 38 Cb -0.12 -2.22 0.04 0.00 0.41 0.00 0.00 41.25 39.35 1k57 s ASN 38 CO 0.02 -0.15 0.52 0.61 -1.51 0.00 0.00 177.10 176.59 1k57 n GLY 39 N 4.38 1.00 3.11 0.66 0.00 -1.26 -0.89 105.19 112.19 1k57 n GLY 39 Ca -0.08 -1.05 -0.11 0.00 0.00 0.00 0.00 46.02 44.78 1k57 n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k57 s VAL 40 N -2.34 0.08 -0.07 1.61 0.11 0.98 -4.88 120.40 115.91 1k57 s VAL 40 Ca 0.11 -0.70 0.02 0.00 -2.93 0.00 0.00 61.98 58.49 1k57 s VAL 40 Cb -0.02 -0.44 0.02 0.00 -1.53 0.00 0.00 36.38 34.41 1k57 s VAL 40 CO 0.03 -0.38 -0.11 0.12 -3.33 0.00 0.00 175.10 171.43 1k57 s PHE 41 N -1.41 1.35 -0.12 1.54 5.99 -1.26 -0.74 117.98 123.33 1k57 s PHE 41 Ca -0.15 -0.50 0.03 0.00 0.00 0.00 0.00 56.93 56.31 1k57 s PHE 41 Cb -0.08 -1.02 0.00 0.00 0.00 0.00 0.00 43.02 41.93 1k57 s PHE 41 CO 0.02 -0.28 -0.22 0.08 -0.00 0.00 0.00 175.22 174.82 1k57 s VAL 42 N 0.77 2.14 -0.06 3.12 1.01 -0.06 -3.05 120.40 124.27 1k57 s VAL 42 Ca -0.13 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 60.89 1k57 s VAL 42 Cb -0.15 -1.84 0.02 0.00 0.00 0.00 0.00 36.38 34.41 1k57 s VAL 42 CO 0.02 0.55 -0.04 -0.22 0.00 0.00 0.00 175.10 175.41 1k57 s LEU 43 N 0.59 1.19 -0.10 3.92 2.96 0.16 -1.52 118.68 125.87 1k57 s LEU 43 Ca -0.12 -0.14 0.03 0.00 -0.22 0.00 0.00 54.13 53.67 1k57 s LEU 43 Cb -0.17 -0.50 0.01 0.00 0.50 0.00 0.00 46.19 46.03 1k57 s LEU 43 CO 0.03 -0.08 -0.18 0.00 -1.32 0.00 0.00 176.35 174.80 1k57 s LYS 45 N 0.65 4.20 0.00 0.00 2.20 -0.94 -1.20 119.74 124.65 1k57 s LYS 45 Ca -0.13 0.25 0.00 0.00 -0.36 0.00 0.00 55.97 55.73 1k57 s LYS 45 Cb -0.16 -3.52 0.00 0.00 -1.51 0.00 0.00 37.83 32.63 1k57 s LYS 45 CO 0.04 -0.02 0.00 0.43 -0.36 0.00 0.00 175.35 175.43 1k57 n SER 46 N 4.39 0.00 -3.92 1.43 7.64 0.27 -4.53 113.62 118.91 1k57 n SER 46 Ca -0.08 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.72 1k57 n SER 46 Cb 0.51 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.67 1k57 n SER 46 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1k57 s SER 47 N 0.00 -0.18 0.00 6.43 1.04 -1.26 -4.91 113.70 114.82 1k57 s SER 47 Ca 0.00 -0.75 0.20 0.00 0.48 0.00 0.00 55.95 55.88 1k57 s SER 47 Cb 0.00 0.64 1.22 0.00 0.10 0.00 0.00 66.02 67.99 1k57 s SER 47 CO 0.00 -1.22 1.62 -1.54 0.98 0.00 0.00 173.24 173.09 1k57 n SER 48 N -0.41 0.00 0.17 7.02 3.41 -1.26 -2.49 113.62 120.06 1k57 n SER 48 Ca -0.03 -0.76 0.12 0.00 -0.26 0.00 0.00 58.87 57.94 1k57 n SER 48 Cb 0.61 0.00 0.21 0.00 -0.26 0.00 0.00 64.21 64.77 1k57 n SER 48 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1k57 h LYS 49 N 0.00 0.00 -2.41 4.33 1.79 -1.95 -3.39 116.57 114.94 1k57 h LYS 49 Ca 0.00 0.00 -0.60 0.00 -2.18 0.00 0.00 60.65 57.87 1k57 h LYS 49 Cb 0.00 0.00 -0.42 0.00 -1.58 0.00 0.00 32.23 30.23 1k57 h LYS 49 CO 0.00 0.00 -0.65 0.43 -1.08 0.00 0.00 179.45 178.15 1k57 n SER 50 N -2.79 3.09 -4.59 0.86 7.64 -1.04 -4.61 113.62 112.18 1k57 n SER 50 Ca 0.04 -3.28 -0.31 0.00 1.01 0.00 0.00 58.87 56.33 1k57 n SER 50 Cb 0.50 -0.69 -0.10 0.00 -1.01 0.00 0.00 64.21 62.92 1k57 n SER 50 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1k57 s ALA 52 N -1.11 1.77 0.11 0.00 0.00 0.19 -1.01 121.76 121.72 1k57 s ALA 52 Ca 0.19 -1.53 -0.14 0.00 0.00 0.00 0.00 51.96 50.49 1k57 s ALA 52 Cb -0.11 -0.06 0.02 0.00 0.00 0.00 0.00 23.12 22.97 1k57 s ALA 52 CO 0.11 0.05 0.34 -0.08 0.00 0.00 0.00 175.76 176.18 1k57 s THR 53 N -2.81 0.09 0.03 0.00 -1.32 -0.30 -0.66 115.64 110.66 1k57 s THR 53 Ca 0.18 -0.74 0.16 0.00 -1.21 0.00 0.00 61.69 60.08 1k57 s THR 53 Cb -0.01 -1.20 0.08 0.00 -1.51 0.00 0.00 72.50 69.85 1k57 s THR 53 CO 0.04 -0.41 1.57 -0.55 -2.21 0.00 0.00 174.62 173.07 1k57 h ASN 54 N 2.51 0.00 -2.22 8.08 -1.07 -1.71 0.41 115.58 121.59 1k57 h ASN 54 Ca -0.34 0.00 -0.34 0.00 0.07 0.00 0.00 56.30 55.69 1k57 h ASN 54 Cb 1.24 0.00 -0.34 0.00 -2.07 0.00 0.00 38.32 37.15 1k57 h ASN 54 CO 0.49 0.48 -0.65 -0.62 0.07 0.00 0.00 177.43 177.21 1k57 s ASP 55 N -6.47 1.79 0.21 6.14 3.68 -1.26 -4.33 116.67 116.44 1k57 s ASP 55 Ca 0.02 -0.76 -0.10 0.00 2.13 0.00 0.00 52.55 53.84 1k57 s ASP 55 Cb 0.09 0.44 0.18 0.00 -1.45 0.00 0.00 42.92 42.18 1k57 s ASP 55 CO 0.72 -0.39 1.86 -0.07 0.13 0.00 0.00 175.17 177.43 1k57 h LEU 56 N 8.28 0.79 0.11 -1.34 3.38 -1.94 0.12 115.31 124.71 1k57 h LEU 56 Ca -0.14 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 1k57 h LEU 56 Cb 1.07 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.64 1k57 h LEU 56 CO 0.34 0.56 -0.06 0.00 0.09 0.00 0.00 178.44 179.37 1k57 h ALA 57 N 1.29 -0.16 -0.10 1.53 0.00 -2.00 -2.91 119.26 116.91 1k57 h ALA 57 Ca 0.28 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.03 1k57 h ALA 57 Cb -0.04 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1k57 h ALA 57 CO -0.09 -0.59 -0.49 -0.09 0.00 0.00 0.00 179.25 177.99 1k57 h ARG 58 N -0.16 0.25 -1.03 0.00 2.43 -1.85 -2.72 114.38 111.30 1k57 h ARG 58 Ca -0.01 -0.14 0.26 0.00 -0.81 0.00 0.00 59.98 59.28 1k57 h ARG 58 Cb 0.13 0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 29.60 1k57 h ARG 58 CO 0.02 0.69 0.68 0.00 -1.51 0.00 0.00 179.97 179.85 1k57 h ALA 59 N 1.29 2.35 -0.02 2.80 0.00 -0.57 -0.55 119.26 124.56 1k57 h ALA 59 Ca 0.01 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1k57 h ALA 59 Cb 0.94 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1k57 h ALA 59 CO 0.08 -0.72 -0.30 0.43 0.00 0.00 0.00 179.25 178.73 1k57 n SER 60 N -4.54 2.32 -4.78 0.00 7.64 -1.05 -2.07 113.62 111.15 1k57 n SER 60 Ca 0.24 -1.66 -0.37 0.00 1.01 0.00 0.00 58.87 58.09 1k57 n SER 60 Cb 0.89 0.30 -0.02 0.00 -1.01 0.00 0.00 64.21 64.37 1k57 n SER 60 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1k57 s LYS 61 N -2.31 3.91 -0.20 1.43 1.02 -0.21 -4.75 119.74 118.62 1k57 s LYS 61 Ca 0.22 1.68 -0.07 0.00 0.02 0.00 0.00 55.97 57.81 1k57 s LYS 61 Cb 0.19 -2.45 -0.04 0.00 -0.52 0.00 0.00 37.83 35.01 1k57 s LYS 61 CO 0.48 -0.40 0.06 -1.21 -0.92 0.00 0.00 175.35 173.36 1k57 s GLU 62 N -2.63 3.88 0.18 1.68 2.02 -1.26 -3.86 118.70 118.70 1k57 s GLU 62 Ca 0.61 -0.39 0.10 0.00 0.02 0.00 0.00 54.97 55.32 1k57 s GLU 62 Cb -0.26 -3.24 -0.04 0.00 0.10 0.00 0.00 34.13 30.68 1k57 s GLU 62 CO 0.32 0.14 -0.21 0.71 0.02 0.00 0.00 175.26 176.23 1k57 s TYR 63 N 0.74 2.10 0.18 1.61 1.51 -0.08 -4.60 117.35 118.81 1k57 s TYR 63 Ca 0.03 -0.40 -0.33 0.00 -1.01 0.00 0.00 57.07 55.36 1k57 s TYR 63 Cb -0.13 -1.04 -0.15 0.00 -0.11 0.00 0.00 41.96 40.53 1k57 s TYR 63 CO 0.02 0.44 1.35 1.28 -1.11 0.00 0.00 175.55 177.52 1k57 n LEU 64 N 0.25 2.35 0.19 -1.29 7.99 -1.25 -1.01 117.00 124.23 1k57 n LEU 64 Ca -0.13 1.13 0.07 0.00 -0.01 0.00 0.00 56.01 57.07 1k57 n LEU 64 Cb 0.57 -1.32 0.30 0.00 -0.11 0.00 0.00 43.42 42.86 1k57 n LEU 64 CO 0.30 -0.81 0.68 1.55 -1.51 0.00 0.00 177.39 177.59 1k57 h PRO 65 N 4.29 0.00 0.00 3.23 0.14 -1.75 -3.47 132.00 134.44 1k57 h PRO 65 Ca -0.45 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.69 1k57 h PRO 65 Cb 1.30 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.44 1k57 h PRO 65 CO 0.76 0.34 0.00 0.00 0.14 0.00 0.00 178.00 179.24 1k57 n ALA 66 N -2.24 0.00 0.50 -0.56 0.00 -0.26 -1.70 120.51 116.25 1k57 n ALA 66 Ca 0.01 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.50 1k57 n ALA 66 Cb 0.53 0.00 0.27 0.00 0.00 0.00 0.00 19.45 20.25 1k57 n ALA 66 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1k57 n SER 67 N 0.34 0.00 0.19 0.00 7.64 -1.26 -1.52 113.62 119.01 1k57 n SER 67 Ca 0.00 0.17 0.14 0.00 1.01 0.00 0.00 58.87 60.19 1k57 n SER 67 Cb 0.00 -0.31 0.59 0.00 -1.01 0.00 0.00 64.21 63.49 1k57 n SER 67 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1k57 h THR 68 N 0.00 0.00 0.00 0.44 1.35 -1.37 -2.10 112.91 111.23 1k57 h THR 68 Ca 0.00 -0.31 -0.00 0.00 -0.55 0.00 0.00 66.41 65.55 1k57 h THR 68 Cb 0.11 1.13 -0.00 0.00 -1.73 0.00 0.00 68.15 67.66 1k57 h THR 68 CO 0.00 0.00 -0.01 0.15 -0.25 0.00 0.00 175.52 175.41 1k57 h PHE 69 N 0.00 0.00 -0.20 4.73 3.57 -1.41 -2.64 116.94 120.99 1k57 h PHE 69 Ca 0.00 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.56 1k57 h PHE 69 Cb 0.38 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 1k57 h PHE 69 CO 0.00 0.01 0.17 0.87 -2.23 0.00 0.00 178.31 177.13 1k57 h LYS 70 N 0.00 0.00 0.81 1.11 1.57 -1.60 -1.21 116.57 117.25 1k57 h LYS 70 Ca -0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1k57 h LYS 70 Cb 0.25 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.57 1k57 h LYS 70 CO 0.00 0.00 -0.39 0.82 -0.57 0.00 0.00 179.45 179.31 1k57 h ILE 71 N 0.00 0.06 -0.28 1.86 2.04 -1.69 -0.48 117.51 119.02 1k57 h ILE 71 Ca 0.09 -0.17 -0.06 0.00 1.00 0.00 0.00 64.86 65.72 1k57 h ILE 71 Cb 0.43 0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.57 1k57 h ILE 71 CO -0.00 0.01 -0.10 1.55 0.00 0.00 0.00 178.15 179.60 1k57 h PRO 72 N -1.25 0.45 -0.76 2.37 0.13 -1.75 -2.56 132.00 128.64 1k57 h PRO 72 Ca -0.11 -0.12 -0.03 0.00 -0.87 0.00 0.00 66.00 64.87 1k57 h PRO 72 Cb 0.84 -0.05 -0.03 0.00 0.13 0.00 0.00 31.00 31.88 1k57 h PRO 72 CO 0.18 0.56 0.37 -0.97 -0.23 0.00 0.00 178.00 177.92 1k57 h ASN 73 N 0.42 0.98 -0.49 1.44 -0.00 -1.20 -0.99 115.58 115.75 1k57 h ASN 73 Ca 0.08 -0.13 -0.11 0.00 -0.00 0.00 0.00 56.30 56.15 1k57 h ASN 73 Cb 0.44 -0.25 -0.02 0.00 -0.00 0.00 0.00 38.32 38.50 1k57 h ASN 73 CO 0.02 0.83 -0.11 0.00 -0.00 0.00 0.00 177.43 178.18 1k57 h ALA 74 N 1.19 0.68 -0.42 1.57 0.00 -0.80 0.23 119.26 121.70 1k57 h ALA 74 Ca 0.26 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1k57 h ALA 74 Cb 0.10 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1k57 h ALA 74 CO -0.03 0.58 0.11 0.82 0.00 0.00 0.00 179.25 180.72 1k57 h ILE 75 N 0.80 1.23 -0.73 0.00 2.04 -1.09 -1.53 117.51 118.23 1k57 h ILE 75 Ca 0.13 -0.78 -0.07 0.00 1.00 0.00 0.00 64.86 65.14 1k57 h ILE 75 Cb 0.66 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 37.65 1k57 h ILE 75 CO 0.05 0.27 0.19 0.40 0.00 0.00 0.00 178.15 179.06 1k57 h ILE 76 N 0.54 1.26 -0.33 -0.67 2.04 -1.07 0.35 117.51 119.63 1k57 h ILE 76 Ca 0.13 -0.97 0.04 0.00 1.00 0.00 0.00 64.86 65.06 1k57 h ILE 76 Cb 0.30 0.50 -0.04 0.00 -0.74 0.00 0.00 36.82 36.85 1k57 h ILE 76 CO 0.00 0.37 0.11 1.23 0.00 0.00 0.00 178.15 179.87 1k57 h GLY 77 N 1.10 0.41 0.97 5.37 0.00 -0.74 -0.84 103.07 109.34 1k57 h GLY 77 Ca 0.23 -0.06 -0.09 0.00 0.00 0.00 0.00 47.33 47.41 1k57 h GLY 77 CO 0.00 0.03 -0.11 1.41 0.00 0.00 0.00 176.54 177.87 1k57 h LEU 78 N 0.25 0.75 -0.41 3.11 3.38 -0.92 0.39 115.31 121.86 1k57 h LEU 78 Ca 0.15 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 1k57 h LEU 78 Cb 0.12 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1k57 h LEU 78 CO -0.15 0.95 0.22 -0.33 0.09 0.00 0.00 178.44 179.22 1k57 h GLU 79 N 0.54 0.57 0.00 1.13 4.39 -0.71 -2.74 114.58 117.76 1k57 h GLU 79 Ca 0.09 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.70 1k57 h GLU 79 Cb 0.63 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.17 1k57 h GLU 79 CO 0.04 0.46 -0.10 1.79 -1.16 0.00 0.00 179.01 180.04 1k57 h THR 80 N 0.52 0.20 0.00 1.13 1.35 -1.21 -3.47 112.91 111.44 1k57 h THR 80 Ca 0.14 -1.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.00 1k57 h THR 80 Cb 0.06 1.84 0.00 0.00 -1.73 0.00 0.00 68.15 68.32 1k57 h THR 80 CO -0.02 0.10 0.00 0.61 -0.25 0.00 0.00 175.52 175.96 1k57 n GLY 81 N 0.58 0.53 0.37 5.82 0.00 -0.74 -4.93 105.19 106.82 1k57 n GLY 81 Ca 0.02 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.04 1k57 n GLY 81 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1k57 h VAL 82 N 0.00 1.18 -3.43 1.61 2.07 -1.29 -3.35 116.25 113.04 1k57 h VAL 82 Ca 0.00 -0.41 -0.61 0.00 0.82 0.00 0.00 66.70 66.50 1k57 h VAL 82 Cb 0.00 -0.11 -0.13 0.00 -1.52 0.00 0.00 31.29 29.53 1k57 h VAL 82 CO 0.00 0.22 -0.46 -0.63 0.02 0.00 0.00 177.57 176.71 1k57 s ILE 83 N -6.00 5.37 -0.04 4.57 1.01 -0.08 -4.99 121.20 121.04 1k57 s ILE 83 Ca -0.12 0.25 -0.23 0.00 0.00 0.00 0.00 60.65 60.55 1k57 s ILE 83 Cb 0.19 -3.51 -0.23 0.00 0.01 0.00 0.00 42.46 38.91 1k57 s ILE 83 CO 0.81 0.38 1.05 0.50 0.00 0.00 0.00 174.94 177.68 1k57 h LYS 84 N 7.10 0.23 0.00 2.79 3.64 -1.87 -3.39 116.57 125.08 1k57 h LYS 84 Ca -0.39 -0.25 0.02 0.00 -1.27 0.00 0.00 60.65 58.76 1k57 h LYS 84 Cb 1.16 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 33.05 1k57 h LYS 84 CO 0.71 0.96 0.26 0.27 -2.27 0.00 0.00 179.45 179.38 1k57 n ASN 85 N -4.44 -1.46 0.24 4.20 0.23 -1.26 -5.02 115.26 107.75 1k57 n ASN 85 Ca -0.10 -1.94 0.08 0.00 -0.53 0.00 0.00 54.58 52.09 1k57 n ASN 85 Cb 0.54 2.41 0.60 0.00 -2.08 0.00 0.00 39.78 41.26 1k57 n ASN 85 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1k57 h GLU 86 N 0.00 0.00 -0.61 -3.83 4.11 -1.99 -2.62 114.58 109.64 1k57 h GLU 86 Ca -0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.21 1k57 h GLU 86 Cb 0.84 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.09 1k57 h GLU 86 CO 0.28 0.15 0.00 0.72 0.07 0.00 0.00 179.01 180.23 1k57 n HIS 87 N -4.07 1.57 -1.93 2.06 8.25 -1.26 -4.60 115.22 115.23 1k57 n HIS 87 Ca -0.02 -0.65 -0.41 0.00 -0.26 0.00 0.00 57.72 56.39 1k57 n HIS 87 Cb 0.23 -0.30 -0.01 0.00 1.12 0.00 0.00 29.99 31.03 1k57 n HIS 87 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1k57 s GLN 88 N -2.07 4.13 -0.16 -0.41 0.74 -0.99 -4.96 119.66 115.94 1k57 s GLN 88 Ca 0.51 2.39 -0.06 0.00 0.05 0.00 0.00 55.36 58.26 1k57 s GLN 88 Cb 0.35 -2.94 -0.04 0.00 1.10 0.00 0.00 33.01 31.47 1k57 s GLN 88 CO 0.22 -0.45 0.03 0.08 -0.55 0.00 0.00 175.29 174.63 1k57 s VAL 89 N -1.15 4.55 -0.51 1.34 1.01 -1.26 -3.64 120.40 120.73 1k57 s VAL 89 Ca 0.53 -0.13 -0.16 0.00 0.00 0.00 0.00 61.98 62.22 1k57 s VAL 89 Cb -0.43 -3.01 0.11 0.00 0.00 0.00 0.00 36.38 33.04 1k57 s VAL 89 CO 0.57 0.50 0.47 -0.36 0.00 0.00 0.00 175.10 176.28 1k57 s PHE 90 N 0.09 3.24 0.20 5.22 0.40 0.14 -4.93 117.98 122.33 1k57 s PHE 90 Ca 0.04 -1.12 -0.24 0.00 -0.60 0.00 0.00 56.93 55.00 1k57 s PHE 90 Cb -0.13 -3.55 -0.08 0.00 0.51 0.00 0.00 43.02 39.77 1k57 s PHE 90 CO 0.01 -0.94 0.79 0.15 0.70 0.00 0.00 175.22 175.93 1k57 s LYS 91 N 1.67 4.51 0.07 0.44 1.02 -1.26 -1.16 119.74 125.03 1k57 s LYS 91 Ca 0.04 1.12 -0.31 0.00 0.02 0.00 0.00 55.97 56.84 1k57 s LYS 91 Cb -0.27 -3.13 -0.06 0.00 -0.52 0.00 0.00 37.83 33.85 1k57 s LYS 91 CO 0.05 0.50 1.21 -0.46 -0.92 0.00 0.00 175.35 175.73 1k57 s TRP 92 N -1.28 3.43 0.49 3.18 -0.00 -1.26 -4.92 118.94 118.58 1k57 s TRP 92 Ca 0.39 1.29 0.19 0.00 -0.00 0.00 0.00 56.10 57.97 1k57 s TRP 92 Cb -0.21 -3.43 1.23 0.00 -0.00 0.00 0.00 33.47 31.05 1k57 s TRP 92 CO 0.25 -1.32 2.01 0.38 -0.00 0.00 0.00 176.95 178.27 1k57 h ASP 93 N 6.68 0.15 -0.78 5.86 2.03 -1.95 -3.49 116.42 124.91 1k57 h ASP 93 Ca -0.42 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.89 1k57 h ASP 93 Cb 1.21 -0.03 0.00 0.00 -0.83 0.00 0.00 39.33 39.69 1k57 h ASP 93 CO 0.81 0.09 0.00 0.61 -1.03 0.00 0.00 179.24 179.72 1k57 n GLY 94 N -1.58 0.41 0.24 7.15 0.00 -1.26 -5.26 105.19 104.90 1k57 n GLY 94 Ca 0.08 -0.54 0.15 0.00 0.00 0.00 0.00 46.02 45.71 1k57 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k57 h ALA 98 N 0.00 1.00 -3.69 4.61 0.00 -2.04 -3.53 119.26 115.60 1k57 h ALA 98 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 1k57 h ALA 98 Cb 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 17.79 17.57 1k57 h ALA 98 CO 0.00 0.00 -0.82 -1.64 0.00 0.00 0.00 179.25 176.79 1k57 s MET 99 N -3.50 1.66 0.11 0.00 1.00 -1.26 -5.02 119.30 112.29 1k57 s MET 99 Ca 0.03 -0.50 -0.18 0.00 0.00 0.00 0.00 55.69 55.04 1k57 s MET 99 Cb 0.08 -1.42 -0.05 0.00 0.00 0.00 0.00 34.83 33.45 1k57 s MET 99 CO 0.55 0.14 1.65 -0.22 0.00 0.00 0.00 175.02 177.15 1k57 h LYS 100 N 6.55 0.43 -0.99 2.03 3.64 -2.00 -1.87 116.57 124.36 1k57 h LYS 100 Ca -0.32 -0.08 0.36 0.00 -1.27 0.00 0.00 60.65 59.35 1k57 h LYS 100 Cb 1.18 -0.07 -0.17 0.00 -0.41 0.00 0.00 32.23 32.76 1k57 h LYS 100 CO 0.48 0.45 0.49 1.96 -2.27 0.00 0.00 179.45 180.56 1k57 h GLN 101 N 0.32 0.13 -0.04 1.90 4.20 -1.95 0.16 115.11 119.82 1k57 h GLN 101 Ca 0.10 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.80 1k57 h GLN 101 Cb 0.18 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.93 1k57 h GLN 101 CO -0.01 0.09 0.00 0.91 -0.67 0.00 0.00 178.83 179.15 1k57 n TRP 102 N -5.20 0.05 -1.13 2.96 8.01 -0.70 -3.44 117.44 117.99 1k57 n TRP 102 Ca 0.33 -0.02 0.03 0.00 -1.31 0.00 0.00 57.50 56.53 1k57 n TRP 102 Cb 1.09 0.00 0.25 0.00 -2.01 0.00 0.00 31.31 30.64 1k57 n TRP 102 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.69 177.07 1k57 n GLU 103 N -0.50 2.68 -4.32 -0.99 1.02 0.04 -4.96 120.64 113.61 1k57 n GLU 103 Ca 0.09 -2.97 -0.23 0.00 -0.02 0.00 0.00 57.16 54.03 1k57 n GLU 103 Cb 0.08 -1.88 -0.12 0.00 -0.02 0.00 0.00 31.44 29.50 1k57 n GLU 103 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1k57 s ARG 104 N -2.98 1.23 0.30 3.49 0.52 -1.22 -4.91 118.95 115.38 1k57 s ARG 104 Ca 0.45 -1.31 -0.28 0.00 -0.52 0.00 0.00 55.73 54.06 1k57 s ARG 104 Cb 0.37 -1.39 -0.09 0.00 0.52 0.00 0.00 34.95 34.36 1k57 s ARG 104 CO 0.07 0.30 1.02 -0.51 0.02 0.00 0.00 175.30 176.20 1k57 s ASP 105 N -2.34 7.28 0.05 0.23 -0.00 -1.26 -4.29 116.67 116.33 1k57 s ASP 105 Ca 0.12 2.06 0.03 0.00 -0.00 0.00 0.00 52.55 54.76 1k57 s ASP 105 Cb -0.08 -2.61 -0.03 0.00 -0.00 0.00 0.00 42.92 40.21 1k57 s ASP 105 CO 0.06 -0.12 -0.10 -0.76 -0.00 0.00 0.00 175.17 174.25 1k57 s LEU 106 N -1.74 2.27 0.78 1.23 1.43 -0.31 -4.94 118.68 117.40 1k57 s LEU 106 Ca 0.47 -0.58 -0.09 0.00 -1.03 0.00 0.00 54.13 52.90 1k57 s LEU 106 Cb -0.26 -0.27 0.09 0.00 0.03 0.00 0.00 46.19 45.79 1k57 s LEU 106 CO 0.33 -0.17 1.11 0.42 0.23 0.00 0.00 176.35 178.27 1k57 s THR 107 N -1.39 2.14 0.18 5.49 -4.23 -1.26 0.25 115.64 116.81 1k57 s THR 107 Ca -0.07 -0.16 -0.14 0.00 -1.18 0.00 0.00 61.69 60.13 1k57 s THR 107 Cb -0.10 -2.97 0.08 0.00 1.34 0.00 0.00 72.50 70.85 1k57 s THR 107 CO 0.01 0.00 1.73 0.25 -0.54 0.00 0.00 174.62 176.07 1k57 h LEU 108 N -0.90 0.05 -0.10 4.79 5.85 -1.81 0.18 115.31 123.36 1k57 h LEU 108 Ca -0.44 0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.37 1k57 h LEU 108 Cb 1.31 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.41 1k57 h LEU 108 CO 0.58 0.06 -0.02 -0.09 -0.34 0.00 0.00 178.44 178.62 1k57 h ARG 109 N 0.25 0.00 -0.52 1.25 2.43 -1.90 -1.31 114.38 114.59 1k57 h ARG 109 Ca 0.22 -0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.45 1k57 h ARG 109 Cb 0.27 -0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.77 1k57 h ARG 109 CO -0.27 0.00 0.24 0.78 -1.51 0.00 0.00 179.97 179.21 1k57 h GLY 110 N 0.00 0.73 1.52 2.80 0.00 -1.81 0.22 103.07 106.52 1k57 h GLY 110 Ca 0.05 -0.15 0.02 0.00 0.00 0.00 0.00 47.33 47.24 1k57 h GLY 110 CO -0.10 0.07 0.29 0.00 0.00 0.00 0.00 176.54 176.80 1k57 h ALA 111 N 1.31 1.75 -0.08 3.60 0.00 -0.06 -0.40 119.26 125.37 1k57 h ALA 111 Ca 0.24 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.98 1k57 h ALA 111 Cb 0.19 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.84 1k57 h ALA 111 CO -0.20 0.22 -0.51 0.82 0.00 0.00 0.00 179.25 179.58 1k57 h ILE 112 N 0.54 1.38 0.00 0.00 2.04 -0.53 -3.37 117.51 117.57 1k57 h ILE 112 Ca 0.17 -1.87 0.00 0.00 1.00 0.00 0.00 64.86 64.16 1k57 h ILE 112 Cb 0.02 2.28 0.00 0.00 -0.74 0.00 0.00 36.82 38.38 1k57 h ILE 112 CO -0.04 0.56 -0.52 0.00 0.00 0.00 0.00 178.15 178.14 1k57 n GLN 113 N -4.24 0.25 -4.51 2.37 6.02 0.69 -4.87 117.38 113.09 1k57 n GLN 113 Ca -0.08 0.09 -0.24 0.00 -0.01 0.00 0.00 57.00 56.76 1k57 n GLN 113 Cb 0.61 -1.67 -0.11 0.00 1.02 0.00 0.00 30.24 30.09 1k57 n GLN 113 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1k57 s VAL 114 N -3.14 1.48 0.19 5.09 -7.23 -0.20 -5.06 120.40 111.53 1k57 s VAL 114 Ca 0.07 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 57.93 1k57 s VAL 114 Cb 0.14 -2.87 -0.10 0.00 0.56 0.00 0.00 36.38 34.11 1k57 s VAL 114 CO 0.70 -0.00 1.55 -0.55 -0.31 0.00 0.00 175.10 176.49 1k57 s SER 115 N -3.57 6.59 -0.44 4.85 0.15 -1.26 -4.74 113.70 115.28 1k57 s SER 115 Ca 0.36 2.64 0.07 0.00 0.70 0.00 0.00 55.95 59.72 1k57 s SER 115 Cb 0.09 -2.60 0.33 0.00 -1.71 0.00 0.00 66.02 62.14 1k57 s SER 115 CO 0.16 -0.81 1.18 0.00 1.20 0.00 0.00 173.24 174.98 1k57 n ALA 116 N 3.60 -0.37 -0.15 5.45 0.00 -1.26 -4.48 120.51 123.29 1k57 n ALA 116 Ca 0.12 -1.40 -0.05 0.00 0.00 0.00 0.00 53.44 52.12 1k57 n ALA 116 Cb 0.39 -1.16 0.04 0.00 0.00 0.00 0.00 19.45 18.72 1k57 n ALA 116 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1k57 h VAL 117 N 2.71 0.97 -0.25 0.00 2.07 -1.94 -2.01 116.25 117.79 1k57 h VAL 117 Ca -0.15 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 1k57 h VAL 117 Cb 1.15 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 1k57 h VAL 117 CO 0.08 0.09 0.11 -0.65 0.02 0.00 0.00 177.57 177.21 1k57 h PRO 118 N 0.47 0.35 0.15 1.57 0.11 -1.95 -1.60 132.00 131.10 1k57 h PRO 118 Ca 0.20 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.27 1k57 h PRO 118 Cb 0.11 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.15 1k57 h PRO 118 CO -0.14 0.29 -0.07 0.28 -0.21 0.00 0.00 178.00 178.14 1k57 h VAL 119 N 0.35 0.96 -0.01 3.15 2.07 -1.79 -2.10 116.25 118.89 1k57 h VAL 119 Ca 0.09 -0.48 -0.13 0.00 0.82 0.00 0.00 66.70 67.00 1k57 h VAL 119 Cb 0.06 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 1k57 h VAL 119 CO -0.01 0.11 -0.60 -0.26 0.02 0.00 0.00 177.57 176.83 1k57 h PHE 120 N -0.43 0.05 -0.76 1.57 -1.00 -1.42 -1.08 116.94 113.87 1k57 h PHE 120 Ca -0.02 -0.02 -0.03 0.00 2.81 0.00 0.00 57.97 60.71 1k57 h PHE 120 Cb 0.34 -0.01 -0.04 0.00 3.61 0.00 0.00 35.95 39.85 1k57 h PHE 120 CO 0.00 0.63 0.35 1.96 -1.61 0.00 0.00 178.31 179.64 1k57 h GLN 121 N 0.03 1.09 -0.21 1.51 4.20 -1.21 -1.74 115.11 118.77 1k57 h GLN 121 Ca -0.01 -0.16 -0.20 0.00 0.06 0.00 0.00 58.65 58.35 1k57 h GLN 121 Cb 1.07 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.66 1k57 h GLN 121 CO 0.08 0.85 -0.65 0.37 -0.67 0.00 0.00 178.83 178.82 1k57 h GLN 122 N 1.08 0.76 -0.29 1.46 5.75 -1.09 -1.91 115.11 120.86 1k57 h GLN 122 Ca 0.26 -0.54 -0.00 0.00 -0.15 0.00 0.00 58.65 58.22 1k57 h GLN 122 Cb 0.13 0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.75 1k57 h GLN 122 CO -0.03 1.16 0.18 0.82 -2.65 0.00 0.00 178.83 178.31 1k57 h ILE 123 N 0.56 1.10 -0.49 2.39 2.04 -1.07 -1.63 117.51 120.40 1k57 h ILE 123 Ca -0.01 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 1k57 h ILE 123 Cb 1.25 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 38.02 1k57 h ILE 123 CO 0.13 0.09 0.28 0.00 0.00 0.00 0.00 178.15 178.65 1k57 h ALA 124 N 1.08 0.63 -0.86 1.87 0.00 -1.17 -0.92 119.26 119.88 1k57 h ALA 124 Ca 0.11 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1k57 h ALA 124 Cb -0.01 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 1k57 h ALA 124 CO -0.02 0.14 0.57 0.00 0.00 0.00 0.00 179.25 179.94 1k57 h ARG 125 N 0.65 1.12 -0.42 0.00 3.08 -1.25 -1.10 114.38 116.46 1k57 h ARG 125 Ca 0.17 -0.07 -0.13 0.00 0.07 0.00 0.00 59.98 60.02 1k57 h ARG 125 Cb 0.03 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 29.82 1k57 h ARG 125 CO -0.03 0.74 -0.26 0.93 -1.07 0.00 0.00 179.97 180.28 1k57 h GLU 126 N 1.15 0.89 0.08 0.04 5.08 -0.70 -3.01 114.58 118.11 1k57 h GLU 126 Ca 0.32 -0.39 0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1k57 h GLU 126 Cb -0.11 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 1k57 h GLU 126 CO -0.08 1.04 -0.11 0.28 -1.00 0.00 0.00 179.01 179.14 1k57 h VAL 127 N 0.76 0.74 0.00 3.13 2.07 -1.07 -3.50 116.25 118.38 1k57 h VAL 127 Ca 0.09 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.61 1k57 h VAL 127 Cb 0.82 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1k57 h VAL 127 CO 0.07 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.27 1k57 n GLY 128 N -1.23 -1.04 0.25 2.17 0.00 -0.43 -4.42 105.19 100.48 1k57 n GLY 128 Ca -0.07 -1.60 -0.12 0.00 0.00 0.00 0.00 46.02 44.23 1k57 n GLY 128 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1k57 h GLU 129 N 0.00 0.80 0.15 1.61 4.81 -1.89 -0.55 114.58 119.52 1k57 h GLU 129 Ca 0.00 -0.46 -0.01 0.00 -0.13 0.00 0.00 59.36 58.76 1k57 h GLU 129 Cb 0.00 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.42 1k57 h GLU 129 CO 0.00 1.09 -0.07 0.28 -0.73 0.00 0.00 179.01 179.58 1k57 h VAL 130 N 0.64 0.92 -0.65 0.32 2.07 -2.00 -0.02 116.25 117.54 1k57 h VAL 130 Ca 0.03 -0.32 -0.05 0.00 0.82 0.00 0.00 66.70 67.19 1k57 h VAL 130 Cb 1.05 1.12 -0.03 0.00 -1.52 0.00 0.00 31.29 31.91 1k57 h VAL 130 CO 0.10 0.08 0.20 0.03 0.02 0.00 0.00 177.57 177.99 1k57 h ARG 131 N -0.35 1.01 -0.13 1.57 3.08 -1.76 -1.83 114.38 115.97 1k57 h ARG 131 Ca -0.02 -0.22 0.03 0.00 0.07 0.00 0.00 59.98 59.84 1k57 h ARG 131 Cb 0.28 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.15 1k57 h ARG 131 CO 0.03 0.89 -0.08 1.98 -1.07 0.00 0.00 179.97 181.72 1k57 h MET 132 N 0.94 -0.08 -0.75 0.04 4.05 -1.01 -2.07 114.93 116.05 1k57 h MET 132 Ca 0.21 0.01 0.06 0.00 -0.28 0.00 0.00 59.70 59.70 1k57 h MET 132 Cb 0.30 0.02 -0.06 0.00 -0.80 0.00 0.00 31.60 31.06 1k57 h MET 132 CO -0.01 -0.05 0.44 0.37 0.23 0.00 0.00 176.91 177.89 1k57 h GLN 133 N -0.08 0.77 -0.25 0.39 5.75 -0.78 -1.70 115.11 119.21 1k57 h GLN 133 Ca 0.08 -0.05 -0.00 0.00 -0.15 0.00 0.00 58.65 58.53 1k57 h GLN 133 Cb 0.19 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 28.55 1k57 h GLN 133 CO -0.18 0.51 0.14 -0.22 -2.65 0.00 0.00 178.83 176.44 1k57 h LYS 134 N 0.80 0.35 -0.29 1.69 3.64 -0.96 -1.98 116.57 119.81 1k57 h LYS 134 Ca 0.33 -0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 59.56 1k57 h LYS 134 Cb 0.20 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 1k57 h LYS 134 CO -0.18 0.31 -0.29 1.88 -2.27 0.00 0.00 179.45 178.89 1k57 h TYR 135 N 0.30 0.69 0.00 1.91 0.05 -1.14 -1.37 116.97 117.40 1k57 h TYR 135 Ca 0.09 -0.17 -0.07 0.00 0.05 0.00 0.00 58.73 58.64 1k57 h TYR 135 Cb 0.06 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 37.63 1k57 h TYR 135 CO -0.04 0.83 -0.32 -0.07 -1.05 0.00 0.00 178.16 177.52 1k57 h LEU 136 N 0.52 0.00 -0.00 3.88 3.38 -1.06 -0.00 115.31 122.03 1k57 h LEU 136 Ca 0.06 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1k57 h LEU 136 Cb 0.77 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.52 1k57 h LEU 136 CO 0.06 0.32 -0.00 0.50 0.09 0.00 0.00 178.44 179.41 1k57 h LYS 137 N 0.00 0.01 -0.64 1.13 3.64 -0.77 -1.23 116.57 118.71 1k57 h LYS 137 Ca -0.00 -0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.40 1k57 h LYS 137 Cb 0.57 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.36 1k57 h LYS 137 CO 0.04 0.45 0.43 0.87 -2.27 0.00 0.00 179.45 178.96 1k57 h LYS 138 N -0.43 0.75 -0.00 1.90 1.57 -0.86 -2.31 116.57 117.19 1k57 h LYS 138 Ca 0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1k57 h LYS 138 Cb 0.44 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1k57 h LYS 138 CO 0.00 0.50 -0.16 1.19 -0.57 0.00 0.00 179.45 180.41 1k57 n PHE 139 N -4.46 0.00 -3.88 -1.35 0.99 -0.05 -4.73 117.46 103.98 1k57 n PHE 139 Ca 0.08 0.00 -0.24 0.00 -0.00 0.00 0.00 57.45 57.29 1k57 n PHE 139 Cb 0.12 -0.22 -0.01 0.00 -1.00 0.00 0.00 39.48 38.38 1k57 n PHE 139 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 1k57 n SER 140 N -1.04 -0.58 -4.42 4.37 7.64 -0.55 -4.88 113.62 114.16 1k57 n SER 140 Ca 0.12 -0.96 -0.44 0.00 1.01 0.00 0.00 58.87 58.61 1k57 n SER 140 Cb 0.30 -3.34 -0.03 0.00 -1.01 0.00 0.00 64.21 60.13 1k57 n SER 140 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1k57 s TYR 141 N -3.88 3.07 0.00 1.43 5.04 -0.67 -4.95 117.35 117.39 1k57 s TYR 141 Ca 0.01 -1.18 0.00 0.00 -2.44 0.00 0.00 57.07 53.46 1k57 s TYR 141 Cb -0.00 -4.17 0.00 0.00 0.35 0.00 0.00 41.96 38.14 1k57 s TYR 141 CO 0.87 -1.42 0.00 0.41 -1.34 0.00 0.00 175.55 174.07 1k57 n GLY 142 N 5.23 3.06 0.00 8.97 0.00 -1.26 -2.05 105.19 119.15 1k57 n GLY 142 Ca 0.09 -0.33 0.14 0.00 0.00 0.00 0.00 46.02 45.92 1k57 n GLY 142 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1k57 n ASN 143 N 1.76 0.04 -1.86 1.61 0.23 -0.21 -4.90 115.26 111.93 1k57 n ASN 143 Ca 0.00 0.30 -0.19 0.00 -0.53 0.00 0.00 54.58 54.16 1k57 n ASN 143 Cb 0.00 -0.41 -0.06 0.00 -2.08 0.00 0.00 39.78 37.24 1k57 n ASN 143 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1k57 n GLN 144 N -1.44 -1.55 -3.16 -3.83 6.02 -0.87 -4.94 117.38 107.61 1k57 n GLN 144 Ca 0.09 1.05 -0.43 0.00 -0.01 0.00 0.00 57.00 57.70 1k57 n GLN 144 Cb 0.32 -5.51 -0.07 0.00 1.02 0.00 0.00 30.24 25.99 1k57 n GLN 144 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1k57 s ASN 145 N -2.41 6.28 -0.09 1.08 3.04 -1.26 -4.92 114.94 116.66 1k57 s ASN 145 Ca 0.00 -0.49 0.16 0.00 0.04 0.00 0.00 52.86 52.57 1k57 s ASN 145 Cb 0.00 -2.30 0.57 0.00 -1.54 0.00 0.00 41.25 37.99 1k57 s ASN 145 CO 0.00 -0.76 1.49 2.30 -3.04 0.00 0.00 177.10 177.09 1k57 n ILE 146 N 5.74 1.63 -1.30 -5.21 -5.35 -1.26 -2.08 119.36 111.53 1k57 n ILE 146 Ca -0.03 -1.26 -0.30 0.00 -0.27 0.00 0.00 62.75 60.89 1k57 n ILE 146 Cb 0.47 0.19 0.10 0.00 -1.74 0.00 0.00 39.64 38.67 1k57 n ILE 146 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1k57 s SER 147 N -1.13 4.20 0.00 7.28 1.04 -1.26 -4.23 113.70 119.59 1k57 s SER 147 Ca 0.42 1.61 0.00 0.00 0.48 0.00 0.00 55.95 58.46 1k57 s SER 147 Cb 0.27 -2.33 0.00 0.00 0.10 0.00 0.00 66.02 64.06 1k57 s SER 147 CO 0.20 -2.20 0.00 0.61 0.98 0.00 0.00 173.24 172.83 1k57 n GLY 148 N -1.36 0.82 0.00 7.32 0.00 -1.26 -1.47 105.19 109.24 1k57 n GLY 148 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1k57 n GLY 148 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k57 n GLY 149 N -0.82 3.73 0.30 -0.02 0.00 -1.26 -4.59 105.19 102.53 1k57 n GLY 149 Ca 0.00 -1.16 0.14 0.00 0.00 0.00 0.00 46.02 45.00 1k57 n GLY 149 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1k57 h ILE 150 N 0.00 0.58 -0.46 -0.61 6.09 -1.96 -1.62 117.51 119.54 1k57 h ILE 150 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1k57 h ILE 150 Cb 0.00 0.98 0.00 0.00 0.47 0.00 0.00 36.82 38.27 1k57 h ILE 150 CO 0.00 0.00 0.00 -0.90 -3.07 0.00 0.00 178.15 174.18 1k57 n ASP 151 N -3.94 3.99 0.00 2.19 5.68 -1.26 -4.52 116.55 118.69 1k57 n ASP 151 Ca -0.02 -2.47 0.00 0.00 -0.50 0.00 0.00 54.79 51.80 1k57 n ASP 151 Cb 0.12 -0.47 0.00 0.00 -1.14 0.00 0.00 41.12 39.63 1k57 n ASP 151 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 1k57 n LYS 152 N 0.51 0.00 0.09 0.11 2.85 -0.74 -4.72 118.16 116.26 1k57 n LYS 152 Ca 0.20 -0.13 0.10 0.00 -1.05 0.00 0.00 58.31 57.43 1k57 n LYS 152 Cb 0.75 -0.15 0.57 0.00 -0.65 0.00 0.00 35.03 35.55 1k57 n LYS 152 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1k57 h PHE 153 N 0.00 0.21 0.00 5.58 -0.00 -1.56 0.17 116.94 121.34 1k57 h PHE 153 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 57.97 57.98 1k57 h PHE 153 Cb 0.93 -0.07 0.00 0.00 -0.00 0.00 0.00 35.95 36.81 1k57 h PHE 153 CO 0.00 0.12 -0.04 -2.67 -0.00 0.00 0.00 178.31 175.72 1k57 n TRP 154 N -4.48 0.41 -0.03 6.09 2.14 -1.26 -2.09 117.44 118.22 1k57 n TRP 154 Ca 0.03 0.12 -0.06 0.00 2.07 0.00 0.00 57.50 59.66 1k57 n TRP 154 Cb 0.22 -0.68 -0.02 0.00 -0.81 0.00 0.00 31.31 30.02 1k57 n TRP 154 CO 0.00 0.00 0.00 -0.11 2.07 0.00 0.00 177.69 179.65 1k57 n LEU 155 N -1.84 1.13 -0.05 5.67 7.94 -0.81 -1.10 117.00 127.94 1k57 n LEU 155 Ca 0.06 0.04 0.02 0.00 -1.11 0.00 0.00 56.01 55.03 1k57 n LEU 155 Cb 0.38 -0.18 0.03 0.00 0.53 0.00 0.00 43.42 44.18 1k57 n LEU 155 CO 0.29 0.25 0.44 -0.62 -1.11 0.00 0.00 177.39 176.64 1k57 n GLU 156 N -3.10 1.79 0.00 1.96 1.02 0.54 -4.92 120.64 117.93 1k57 n GLU 156 Ca -0.11 -1.45 0.00 0.00 -0.02 0.00 0.00 57.16 55.58 1k57 n GLU 156 Cb 0.59 -0.95 0.00 0.00 -0.02 0.00 0.00 31.44 31.06 1k57 n GLU 156 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1k57 n GLY 157 N -0.53 2.00 0.62 0.62 0.00 -0.89 -4.95 105.19 102.05 1k57 n GLY 157 Ca 0.03 -1.88 0.12 0.00 0.00 0.00 0.00 46.02 44.29 1k57 n GLY 157 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1k57 n GLN 158 N 0.00 1.56 -2.26 1.61 1.13 -0.55 -4.93 117.38 113.95 1k57 n GLN 158 Ca 0.00 -1.25 -0.41 0.00 -1.94 0.00 0.00 57.00 53.40 1k57 n GLN 158 Cb 0.00 -1.47 -0.03 0.00 0.11 0.00 0.00 30.24 28.85 1k57 n GLN 158 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 1k57 s LEU 159 N -2.30 4.46 -0.03 1.08 2.96 -0.88 -4.70 118.68 119.27 1k57 s LEU 159 Ca 0.23 2.44 -0.06 0.00 -0.22 0.00 0.00 54.13 56.52 1k57 s LEU 159 Cb 0.19 -3.63 0.01 0.00 0.50 0.00 0.00 46.19 43.26 1k57 s LEU 159 CO 0.46 -0.42 0.15 -0.13 -1.32 0.00 0.00 176.35 175.10 1k57 s ARG 160 N -0.97 0.33 -0.11 1.98 1.81 -1.26 -3.91 118.95 116.81 1k57 s ARG 160 Ca 0.51 -0.06 -0.12 0.00 -1.72 0.00 0.00 55.73 54.33 1k57 s ARG 160 Cb -0.36 0.14 0.03 0.00 -0.45 0.00 0.00 34.95 34.31 1k57 s ARG 160 CO 0.43 -0.07 0.34 -1.50 -0.68 0.00 0.00 175.30 173.82 1k57 s ILE 161 N -0.60 0.01 0.49 1.52 2.07 -0.18 -1.05 121.20 123.47 1k57 s ILE 161 Ca -0.07 -0.09 -0.05 0.00 -1.41 0.00 0.00 60.65 59.04 1k57 s ILE 161 Cb -0.04 -0.51 -0.03 0.00 0.13 0.00 0.00 42.46 42.02 1k57 s ILE 161 CO 0.01 -0.05 0.79 -0.94 -1.91 0.00 0.00 174.94 172.84 1k57 s SER 162 N -0.09 6.14 0.27 4.50 1.04 -1.25 -0.90 113.70 123.41 1k57 s SER 162 Ca -0.02 0.85 -0.03 0.00 0.48 0.00 0.00 55.95 57.22 1k57 s SER 162 Cb -0.03 -2.12 0.36 0.00 0.10 0.00 0.00 66.02 64.33 1k57 s SER 162 CO 0.01 -0.65 1.89 0.00 0.98 0.00 0.00 173.24 175.47 1k57 h ALA 163 N 0.19 1.27 -0.42 5.32 0.00 -1.69 -0.08 119.26 123.84 1k57 h ALA 163 Ca -0.47 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1k57 h ALA 163 Cb 1.22 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1k57 h ALA 163 CO 0.61 0.58 0.26 0.28 0.00 0.00 0.00 179.25 180.98 1k57 h VAL 164 N 1.05 1.13 -0.26 0.00 2.07 -1.77 -1.97 116.25 116.49 1k57 h VAL 164 Ca 0.26 -0.27 -0.09 0.00 0.82 0.00 0.00 66.70 67.42 1k57 h VAL 164 Cb 0.07 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 1k57 h VAL 164 CO -0.04 0.13 -0.21 -1.13 0.02 0.00 0.00 177.57 176.34 1k57 h ASN 165 N 0.56 0.47 -0.04 0.57 -0.00 -1.75 -1.81 115.58 113.59 1k57 h ASN 165 Ca 0.15 -0.15 0.01 0.00 -0.00 0.00 0.00 56.30 56.32 1k57 h ASN 165 Cb -0.02 -0.13 -0.01 0.00 -0.00 0.00 0.00 38.32 38.16 1k57 h ASN 165 CO -0.03 0.69 -0.02 1.56 -0.00 0.00 0.00 177.43 179.63 1k57 h GLN 166 N 0.43 -0.02 -0.97 6.67 1.08 -0.58 -0.93 115.11 120.78 1k57 h GLN 166 Ca 0.07 0.00 0.07 0.00 -1.45 0.00 0.00 58.65 57.34 1k57 h GLN 166 Cb 0.61 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 27.98 1k57 h GLN 166 CO 0.04 -0.01 0.63 0.28 -0.95 0.00 0.00 178.83 178.82 1k57 h VAL 167 N -0.02 1.06 -0.40 -0.54 2.07 -1.10 0.06 116.25 117.38 1k57 h VAL 167 Ca 0.02 -0.38 -0.09 0.00 0.82 0.00 0.00 66.70 67.08 1k57 h VAL 167 Cb 0.06 -0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 29.67 1k57 h VAL 167 CO -0.05 0.20 -0.08 -0.33 0.02 0.00 0.00 177.57 177.32 1k57 h GLU 168 N 1.11 0.77 -0.26 1.57 5.08 -0.90 -1.01 114.58 120.95 1k57 h GLU 168 Ca 0.43 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 1k57 h GLU 168 Cb 0.21 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1k57 h GLU 168 CO -0.17 0.90 0.12 0.35 -1.00 0.00 0.00 179.01 179.20 1k57 h PHE 169 N 0.59 0.38 -0.61 4.33 3.04 -0.88 -1.91 116.94 121.89 1k57 h PHE 169 Ca 0.10 -0.02 -0.06 0.00 3.98 0.00 0.00 57.97 61.97 1k57 h PHE 169 Cb 0.60 -0.12 -0.03 0.00 2.56 0.00 0.00 35.95 38.97 1k57 h PHE 169 CO 0.05 0.37 0.13 -0.07 -2.02 0.00 0.00 178.31 176.77 1k57 h LEU 170 N 0.28 0.90 -0.34 0.59 3.38 -0.80 -1.83 115.31 117.49 1k57 h LEU 170 Ca 0.09 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1k57 h LEU 170 Cb 0.14 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1k57 h LEU 170 CO -0.01 0.89 0.17 -0.08 0.09 0.00 0.00 178.44 179.49 1k57 h GLU 171 N 0.91 0.48 -0.66 1.13 4.81 -1.04 0.12 114.58 120.34 1k57 h GLU 171 Ca 0.19 -0.07 0.09 0.00 -0.13 0.00 0.00 59.36 59.45 1k57 h GLU 171 Cb 0.35 -0.09 -0.07 0.00 0.63 0.00 0.00 28.75 29.57 1k57 h GLU 171 CO 0.00 0.43 0.29 0.77 -0.73 0.00 0.00 179.01 179.77 1k57 h SER 172 N 0.41 0.34 -0.58 1.04 0.02 -1.12 -0.71 113.55 112.96 1k57 h SER 172 Ca 0.12 0.07 -0.05 0.00 -0.84 0.00 0.00 61.79 61.09 1k57 h SER 172 Cb 0.11 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 1k57 h SER 172 CO -0.02 0.19 0.18 0.25 -1.14 0.00 0.00 176.83 176.30 1k57 h LEU 173 N 0.50 0.84 -0.56 5.07 5.85 -0.85 0.81 115.31 126.96 1k57 h LEU 173 Ca 0.33 -0.21 0.07 0.00 0.84 0.00 0.00 57.88 58.91 1k57 h LEU 173 Cb 0.38 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.13 1k57 h LEU 173 CO -0.29 0.83 0.24 0.22 -0.34 0.00 0.00 178.44 179.10 1k57 h TYR 174 N 0.81 0.42 -0.00 1.25 3.20 -0.18 -1.60 116.97 120.86 1k57 h TYR 174 Ca 0.19 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.08 1k57 h TYR 174 Cb 0.29 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.45 1k57 h TYR 174 CO 0.02 0.15 0.00 1.28 -1.64 0.00 0.00 178.16 177.97 1k57 n LEU 175 N -4.95 0.11 -2.58 2.82 4.77 -0.33 -4.92 117.00 111.92 1k57 n LEU 175 Ca 0.07 -0.04 -0.21 0.00 -0.03 0.00 0.00 56.01 55.80 1k57 n LEU 175 Cb 0.21 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1k57 n LEU 175 CO 0.25 0.02 -0.19 0.59 -1.33 0.00 0.00 177.39 176.73 1k57 n ASN 176 N -0.85 -5.83 -0.93 -1.43 3.02 -0.60 -4.91 115.26 103.73 1k57 n ASN 176 Ca 0.20 -0.08 0.12 0.00 -0.03 0.00 0.00 54.58 54.80 1k57 n ASN 176 Cb 0.11 -4.81 0.20 0.00 -0.61 0.00 0.00 39.78 34.67 1k57 n ASN 176 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1k57 n LYS 177 N -3.28 2.26 -1.47 3.52 5.02 0.21 -4.83 118.16 119.58 1k57 n LYS 177 Ca -0.20 -1.86 -0.32 0.00 -2.02 0.00 0.00 58.31 53.91 1k57 n LYS 177 Cb 0.66 -1.47 0.07 0.00 -0.02 0.00 0.00 35.03 34.27 1k57 n LYS 177 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1k57 s LEU 178 N -1.83 3.17 -1.27 -0.35 1.43 -1.25 -4.89 118.68 113.69 1k57 s LEU 178 Ca 0.32 1.86 -0.19 0.00 -1.03 0.00 0.00 54.13 55.10 1k57 s LEU 178 Cb 0.21 -4.53 0.06 0.00 0.03 0.00 0.00 46.19 41.96 1k57 s LEU 178 CO 0.31 -1.82 1.72 -0.44 0.23 0.00 0.00 176.35 176.35 1k57 s SER 179 N -3.15 6.74 0.10 2.29 0.01 -1.26 -4.76 113.70 113.66 1k57 s SER 179 Ca 0.63 -2.32 -0.25 0.00 1.31 0.00 0.00 55.95 55.31 1k57 s SER 179 Cb -0.18 -2.58 0.07 0.00 0.21 0.00 0.00 66.02 63.55 1k57 s SER 179 CO 0.51 -1.28 0.65 0.00 0.41 0.00 0.00 173.24 173.53 1k57 s ALA 180 N 4.56 -1.66 0.68 1.44 0.00 -1.26 -5.02 121.76 120.50 1k57 s ALA 180 Ca 0.54 0.73 -0.17 0.00 0.00 0.00 0.00 51.96 53.06 1k57 s ALA 180 Cb 0.03 0.64 0.01 0.00 0.00 0.00 0.00 23.12 23.80 1k57 s ALA 180 CO 0.06 -0.67 1.25 -1.54 0.00 0.00 0.00 175.76 174.87 1k57 s SER 181 N -2.38 4.44 0.19 0.00 1.04 -1.26 -4.90 113.70 110.83 1k57 s SER 181 Ca -0.01 2.51 -0.11 0.00 0.48 0.00 0.00 55.95 58.81 1k57 s SER 181 Cb -0.01 -2.61 0.12 0.00 0.10 0.00 0.00 66.02 63.62 1k57 s SER 181 CO -0.08 -2.11 1.82 0.50 0.98 0.00 0.00 173.24 174.36 1k57 h LYS 182 N 0.21 0.92 -0.41 4.02 3.64 -1.93 -2.43 116.57 120.59 1k57 h LYS 182 Ca -0.50 -0.09 0.05 0.00 -1.27 0.00 0.00 60.65 58.84 1k57 h LYS 182 Cb 1.32 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 32.91 1k57 h LYS 182 CO 0.52 0.67 0.15 1.49 -2.27 0.00 0.00 179.45 180.00 1k57 h GLU 183 N 0.91 0.30 -0.49 1.90 4.81 -1.99 -0.31 114.58 119.72 1k57 h GLU 183 Ca 0.24 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.40 1k57 h GLU 183 Cb -0.00 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 1k57 h GLU 183 CO -0.04 0.20 0.11 -0.91 -0.73 0.00 0.00 179.01 177.64 1k57 h ASN 184 N 0.31 0.69 -0.37 1.04 2.35 -1.89 -1.02 115.58 116.69 1k57 h ASN 184 Ca 0.19 -0.12 -0.14 0.00 -0.55 0.00 0.00 56.30 55.68 1k57 h ASN 184 Cb 0.17 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 1k57 h ASN 184 CO -0.19 0.68 -0.31 1.56 -1.65 0.00 0.00 177.43 177.52 1k57 h GLN 185 N 0.72 0.91 -0.61 0.81 4.20 -0.93 -2.02 115.11 118.19 1k57 h GLN 185 Ca 0.16 -0.43 -0.06 0.00 0.06 0.00 0.00 58.65 58.37 1k57 h GLN 185 Cb 0.27 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.02 1k57 h GLN 185 CO -0.00 1.09 0.13 -0.07 -0.67 0.00 0.00 178.83 179.31 1k57 h LEU 186 N 0.76 0.93 -0.08 1.46 3.38 -0.83 0.49 115.31 121.42 1k57 h LEU 186 Ca 0.08 -0.24 0.02 0.00 0.09 0.00 0.00 57.88 57.83 1k57 h LEU 186 Cb 0.89 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 1k57 h LEU 186 CO 0.08 0.93 -0.05 0.40 0.09 0.00 0.00 178.44 179.89 1k57 h ILE 187 N 0.89 0.84 -0.31 1.22 2.04 -0.96 -1.97 117.51 119.26 1k57 h ILE 187 Ca 0.19 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.03 1k57 h ILE 187 Cb 0.38 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 1k57 h ILE 187 CO 0.01 0.00 0.14 0.58 0.00 0.00 0.00 178.15 178.87 1k57 h VAL 188 N -0.06 1.16 -0.95 1.67 2.07 -1.24 -2.60 116.25 116.32 1k57 h VAL 188 Ca 0.05 -0.48 0.08 0.00 0.82 0.00 0.00 66.70 67.17 1k57 h VAL 188 Cb 0.13 0.92 -0.07 0.00 -1.52 0.00 0.00 31.29 30.74 1k57 h VAL 188 CO -0.12 0.17 0.60 0.11 0.02 0.00 0.00 177.57 178.35 1k57 h LYS 189 N 0.36 1.01 -0.57 1.57 1.57 -0.64 -1.70 116.57 118.17 1k57 h LYS 189 Ca 0.10 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.76 1k57 h LYS 189 Cb 0.14 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 1k57 h LYS 189 CO -0.01 0.67 0.10 1.49 -0.57 0.00 0.00 179.45 181.13 1k57 h GLU 190 N 1.04 0.90 0.00 3.15 4.81 -0.98 -1.65 114.58 121.84 1k57 h GLU 190 Ca 0.43 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 1k57 h GLU 190 Cb 0.27 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.53 1k57 h GLU 190 CO -0.21 0.83 0.00 0.00 -0.73 0.00 0.00 179.01 178.90 1k57 h ALA 191 N 1.25 1.00 -0.00 2.92 0.00 -1.08 -2.75 119.26 120.61 1k57 h ALA 191 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1k57 h ALA 191 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1k57 h ALA 191 CO 0.01 0.00 -0.48 1.28 0.00 0.00 0.00 179.25 180.06 1k57 n LEU 192 N -3.06 0.65 -4.69 0.00 4.77 -0.63 -4.79 117.00 109.26 1k57 n LEU 192 Ca -0.01 -0.09 -0.43 0.00 -0.03 0.00 0.00 56.01 55.45 1k57 n LEU 192 Cb 0.19 -0.21 -0.03 0.00 -2.33 0.00 0.00 43.42 41.04 1k57 n LEU 192 CO 0.23 0.15 1.48 0.52 -1.33 0.00 0.00 177.39 178.44 1k57 n VAL 193 N -1.31 0.41 0.00 4.08 0.31 -1.04 -1.49 118.33 119.28 1k57 n VAL 193 Ca 0.07 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1k57 n VAL 193 Cb 0.34 -2.10 0.00 0.00 -0.91 0.00 0.00 33.84 31.17 1k57 n VAL 193 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1k57 n THR 194 N 4.76 0.00 -3.87 2.52 -2.24 -0.39 -4.94 114.28 110.12 1k57 n THR 194 Ca 0.18 -0.07 -0.12 0.00 -2.27 0.00 0.00 64.05 61.78 1k57 n THR 194 Cb 0.37 0.47 -0.14 0.00 -2.10 0.00 0.00 70.33 68.93 1k57 n THR 194 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1k57 s GLU 195 N -1.23 0.01 -0.07 -0.78 2.02 -1.20 -4.99 118.70 112.47 1k57 s GLU 195 Ca 0.00 0.01 -0.03 0.00 0.02 0.00 0.00 54.97 54.97 1k57 s GLU 195 Cb 0.00 0.00 0.04 0.00 0.10 0.00 0.00 34.13 34.28 1k57 s GLU 195 CO 0.00 -0.00 0.13 0.00 0.02 0.00 0.00 175.26 175.41 1k57 s ALA 196 N -0.00 -0.10 0.22 5.21 0.00 -1.26 -1.46 121.76 124.36 1k57 s ALA 196 Ca -0.00 0.50 0.00 0.00 0.00 0.00 0.00 51.96 52.46 1k57 s ALA 196 Cb -0.00 -0.64 -0.04 0.00 0.00 0.00 0.00 23.12 22.43 1k57 s ALA 196 CO 0.00 -0.41 0.11 0.00 0.00 0.00 0.00 175.76 175.46 1k57 s ALA 197 N 1.88 1.37 0.29 0.00 0.00 0.46 -5.02 121.76 120.75 1k57 s ALA 197 Ca -0.01 -1.74 0.03 0.00 0.00 0.00 0.00 51.96 50.24 1k57 s ALA 197 Cb -0.12 1.18 0.71 0.00 0.00 0.00 0.00 23.12 24.89 1k57 s ALA 197 CO -0.05 -0.52 1.69 -1.35 0.00 0.00 0.00 175.76 175.53 1k57 h PRO 198 N 2.55 0.37 0.00 0.00 0.11 -2.02 -2.89 132.00 130.13 1k57 h PRO 198 Ca -0.37 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.64 1k57 h PRO 198 Cb 1.24 -0.08 -0.17 0.00 0.11 0.00 0.00 31.00 32.10 1k57 h PRO 198 CO 0.57 0.25 -0.72 0.39 -0.21 0.00 0.00 178.00 178.27 1k57 n GLU 199 N -5.06 0.90 -3.66 1.05 1.02 -1.26 -4.97 120.64 108.66 1k57 n GLU 199 Ca 0.22 -2.72 -0.10 0.00 -0.02 0.00 0.00 57.16 54.53 1k57 n GLU 199 Cb 0.64 -0.92 -0.11 0.00 -0.02 0.00 0.00 31.44 31.04 1k57 n GLU 199 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 1k57 s TYR 200 N -1.83 -0.69 -0.01 -0.32 6.14 -1.09 -1.34 117.35 118.20 1k57 s TYR 200 Ca 0.36 1.36 0.01 0.00 0.64 0.00 0.00 57.07 59.45 1k57 s TYR 200 Cb 0.37 0.21 0.00 0.00 0.42 0.00 0.00 41.96 42.97 1k57 s TYR 200 CO -0.11 -0.44 -0.05 -1.17 0.64 0.00 0.00 175.55 174.42 1k57 s LEU 201 N 2.50 1.79 -0.08 6.97 2.96 -0.01 -0.40 118.68 132.40 1k57 s LEU 201 Ca -0.01 -0.09 0.03 0.00 -0.22 0.00 0.00 54.13 53.84 1k57 s LEU 201 Cb -0.12 -0.30 0.00 0.00 0.50 0.00 0.00 46.19 46.28 1k57 s LEU 201 CO -0.12 0.02 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.06 1k57 s VAL 202 N 0.20 1.64 -0.14 1.68 1.01 -0.54 -1.14 120.40 123.11 1k57 s VAL 202 Ca -0.02 -0.78 -0.02 0.00 0.00 0.00 0.00 61.98 61.16 1k57 s VAL 202 Cb -0.06 -1.44 -0.02 0.00 0.00 0.00 0.00 36.38 34.86 1k57 s VAL 202 CO -0.00 0.47 -0.08 -1.00 0.00 0.00 0.00 175.10 174.49 1k57 s HIS 203 N 0.43 2.93 0.31 5.22 3.76 -0.41 -1.27 115.29 126.26 1k57 s HIS 203 Ca -0.15 -0.41 -0.18 0.00 -0.15 0.00 0.00 55.06 54.17 1k57 s HIS 203 Cb -0.16 -1.89 0.03 0.00 1.11 0.00 0.00 32.58 31.66 1k57 s HIS 203 CO 0.06 -0.08 0.71 -1.54 -0.85 0.00 0.00 174.74 173.05 1k57 s SER 204 N 0.26 -0.13 -0.28 1.40 1.04 -0.56 -0.98 113.70 114.46 1k57 s SER 204 Ca -0.06 -0.83 -0.16 0.00 0.48 0.00 0.00 55.95 55.38 1k57 s SER 204 Cb -0.15 0.75 0.09 0.00 0.10 0.00 0.00 66.02 66.82 1k57 s SER 204 CO 0.04 -1.44 0.73 -0.75 0.98 0.00 0.00 173.24 172.81 1k57 s LYS 205 N -3.41 0.67 0.53 4.02 2.47 0.07 -4.80 119.74 119.29 1k57 s LYS 205 Ca 0.14 1.14 -0.01 0.00 -1.56 0.00 0.00 55.97 55.68 1k57 s LYS 205 Cb -0.05 0.14 0.02 0.00 -1.46 0.00 0.00 37.83 36.48 1k57 s LYS 205 CO 0.09 -0.14 0.78 0.95 0.16 0.00 0.00 175.35 177.19 1k57 s THR 206 N 1.53 3.33 -0.02 3.43 -4.23 -1.26 -1.61 115.64 116.80 1k57 s THR 206 Ca -0.09 -0.44 -0.22 0.00 -1.18 0.00 0.00 61.69 59.75 1k57 s THR 206 Cb -0.05 -3.27 0.05 0.00 1.34 0.00 0.00 72.50 70.57 1k57 s THR 206 CO -0.18 -0.21 0.49 -0.83 -0.54 0.00 0.00 174.62 173.34 1k57 s GLY 207 N -4.33 -0.36 -0.23 3.99 0.00 -0.91 -3.54 107.32 101.94 1k57 s GLY 207 Ca 0.53 0.75 -0.10 0.00 0.00 0.00 0.00 44.72 45.91 1k57 s GLY 207 CO 0.40 0.47 0.52 -0.12 0.00 0.00 0.00 173.10 174.36 1k57 s PHE 208 N -1.46 -0.94 -0.77 1.90 5.36 -1.26 -0.18 117.98 120.64 1k57 s PHE 208 Ca -0.11 1.77 0.25 0.00 -0.96 0.00 0.00 56.93 57.88 1k57 s PHE 208 Cb -0.02 0.47 0.57 0.00 -0.34 0.00 0.00 43.02 43.70 1k57 s PHE 208 CO 0.06 -0.51 1.49 -1.13 -1.46 0.00 0.00 175.22 173.67 1k57 n SER 209 N 4.99 0.60 0.00 6.13 3.41 0.06 -4.67 113.62 124.14 1k57 n SER 209 Ca -0.14 0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 1k57 n SER 209 Cb 0.52 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 1k57 n SER 209 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1k57 n GLY 210 N 1.38 3.39 3.67 5.00 0.00 -1.26 -4.93 105.19 112.44 1k57 n GLY 210 Ca 0.05 -1.92 -0.43 0.00 0.00 0.00 0.00 46.02 43.72 1k57 n GLY 210 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k57 s VAL 211 N -2.81 4.72 0.00 1.61 1.01 -1.26 -3.70 120.40 119.97 1k57 s VAL 211 Ca 0.00 2.03 0.00 0.00 0.00 0.00 0.00 61.98 64.01 1k57 s VAL 211 Cb 0.00 -4.31 0.00 0.00 0.00 0.00 0.00 36.38 32.07 1k57 s VAL 211 CO 0.00 -0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.61 1k57 n GLY 212 N 3.23 2.11 3.73 4.51 0.00 -1.01 -4.80 105.19 112.96 1k57 n GLY 212 Ca 0.11 -1.99 -0.25 0.00 0.00 0.00 0.00 46.02 43.88 1k57 n GLY 212 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1k57 s THR 213 N 2.28 2.28 0.50 2.61 -4.23 0.19 -4.59 115.64 114.69 1k57 s THR 213 Ca 0.00 -1.72 0.28 0.00 -1.18 0.00 0.00 61.69 59.07 1k57 s THR 213 Cb 0.00 -3.00 0.46 0.00 1.34 0.00 0.00 72.50 71.31 1k57 s THR 213 CO 0.00 0.00 1.86 -0.08 -0.54 0.00 0.00 174.62 175.86 1k57 h GLU 214 N 1.45 0.12 0.00 3.99 4.81 -1.93 -0.05 114.58 122.97 1k57 h GLU 214 Ca -0.43 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1k57 h GLU 214 Cb 1.25 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.61 1k57 h GLU 214 CO 0.71 0.08 -1.44 -1.13 -0.73 0.00 0.00 179.01 176.50 1k57 n SER 215 N -4.34 0.73 -3.33 1.04 3.41 -1.26 -4.56 113.62 105.31 1k57 n SER 215 Ca 0.20 -0.42 -0.26 0.00 -0.26 0.00 0.00 58.87 58.14 1k57 n SER 215 Cb 0.93 1.49 -0.09 0.00 -0.26 0.00 0.00 64.21 66.29 1k57 n SER 215 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1k57 n ASN 216 N -1.85 0.29 -4.82 4.04 4.13 -0.75 -5.13 115.26 111.17 1k57 n ASN 216 Ca -0.00 -2.64 -0.31 0.00 1.68 0.00 0.00 54.58 53.31 1k57 n ASN 216 Cb 0.41 -0.61 0.04 0.00 -1.54 0.00 0.00 39.78 38.08 1k57 n ASN 216 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1k57 s PRO 217 N -0.77 3.01 0.33 3.52 0.04 -0.11 0.55 135.00 141.57 1k57 s PRO 217 Ca 0.34 0.99 -0.02 0.00 0.04 0.00 0.00 61.00 62.34 1k57 s PRO 217 Cb 0.10 -2.00 0.07 0.00 0.04 0.00 0.00 34.50 32.71 1k57 s PRO 217 CO -0.14 -1.04 0.45 0.41 0.04 0.00 0.00 177.00 176.71 1k57 n GLY 218 N -1.86 0.00 3.15 0.56 0.00 -0.79 -4.75 105.19 101.50 1k57 n GLY 218 Ca 0.08 -1.88 -0.19 0.00 0.00 0.00 0.00 46.02 44.03 1k57 n GLY 218 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k57 s VAL 219 N -1.48 1.09 0.06 1.61 0.11 -1.26 -0.69 120.40 119.83 1k57 s VAL 219 Ca 0.28 -1.08 0.06 0.00 -2.93 0.00 0.00 61.98 58.31 1k57 s VAL 219 Cb -0.01 -1.01 -0.03 0.00 -1.53 0.00 0.00 36.38 33.80 1k57 s VAL 219 CO 0.19 -0.08 -0.18 0.00 -3.33 0.00 0.00 175.10 171.71 1k57 s ALA 220 N -0.98 1.51 0.16 1.54 0.00 -0.38 -0.76 121.76 122.85 1k57 s ALA 220 Ca 0.00 -1.01 0.06 0.00 0.00 0.00 0.00 51.96 51.01 1k57 s ALA 220 Cb -0.08 -0.24 -0.04 0.00 0.00 0.00 0.00 23.12 22.75 1k57 s ALA 220 CO 0.02 0.31 -0.12 -1.58 0.00 0.00 0.00 175.76 174.38 1k57 s TRP 221 N -0.93 1.44 -0.13 0.00 0.52 0.75 -1.40 118.94 119.19 1k57 s TRP 221 Ca 0.04 -0.66 -0.04 0.00 0.02 0.00 0.00 56.10 55.46 1k57 s TRP 221 Cb -0.09 -0.71 0.07 0.00 -1.15 0.00 0.00 33.47 31.59 1k57 s TRP 221 CO 0.02 0.19 0.25 -0.46 0.02 0.00 0.00 176.95 176.97 1k57 s TRP 222 N -2.98 -0.38 0.15 -1.98 -0.00 -0.65 -2.13 118.94 110.97 1k57 s TRP 222 Ca 0.17 0.85 0.08 0.00 -0.00 0.00 0.00 56.10 57.20 1k57 s TRP 222 Cb -0.00 -0.10 -0.04 0.00 -0.00 0.00 0.00 33.47 33.33 1k57 s TRP 222 CO 0.03 -0.37 -0.18 0.14 -0.00 0.00 0.00 176.95 176.57 1k57 s VAL 223 N 2.40 1.70 -4.63 5.86 -7.23 -0.64 -0.88 120.40 116.99 1k57 s VAL 223 Ca 0.02 -1.83 0.00 0.00 -1.81 0.00 0.00 61.98 58.36 1k57 s VAL 223 Cb -0.12 -1.74 0.00 0.00 0.56 0.00 0.00 36.38 35.07 1k57 s VAL 223 CO -0.09 -0.31 0.00 0.61 -0.31 0.00 0.00 175.10 175.01 1k57 n GLY 224 N 0.44 -0.50 3.20 2.32 0.00 -0.63 -0.75 105.19 109.26 1k57 n GLY 224 Ca -0.14 -0.98 -0.11 0.00 0.00 0.00 0.00 46.02 44.79 1k57 n GLY 224 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1k57 s TRP 225 N -3.31 -0.03 -0.12 1.61 -2.14 -0.15 -0.74 118.94 114.06 1k57 s TRP 225 Ca 0.00 -0.11 0.01 0.00 2.66 0.00 0.00 56.10 58.67 1k57 s TRP 225 Cb 0.00 0.03 0.02 0.00 -3.10 0.00 0.00 33.47 30.41 1k57 s TRP 225 CO 0.00 -0.43 -0.15 0.08 -2.66 0.00 0.00 176.95 173.79 1k57 s VAL 226 N -2.27 1.54 -0.36 -0.66 1.01 0.25 -1.29 120.40 118.62 1k57 s VAL 226 Ca -0.07 -0.65 -0.14 0.00 0.00 0.00 0.00 61.98 61.12 1k57 s VAL 226 Cb -0.02 -1.42 -0.01 0.00 0.00 0.00 0.00 36.38 34.93 1k57 s VAL 226 CO -0.02 0.45 0.27 -1.61 0.00 0.00 0.00 175.10 174.19 1k57 s GLU 227 N 1.14 3.40 -0.20 2.72 2.02 -0.29 -0.35 118.70 127.13 1k57 s GLU 227 Ca -0.03 -0.68 0.00 0.00 0.02 0.00 0.00 54.97 54.28 1k57 s GLU 227 Cb -0.14 -3.84 0.05 0.00 0.10 0.00 0.00 34.13 30.29 1k57 s GLU 227 CO -0.04 -0.52 -0.06 0.21 0.02 0.00 0.00 175.26 174.86 1k57 s LYS 228 N 1.77 1.63 7.27 1.61 2.20 -0.32 -0.83 119.74 133.07 1k57 s LYS 228 Ca 0.07 -0.77 0.00 0.00 -0.36 0.00 0.00 55.97 54.91 1k57 s LYS 228 Cb -0.18 -2.33 0.00 0.00 -1.51 0.00 0.00 37.83 33.81 1k57 s LYS 228 CO 0.11 -0.50 0.00 0.39 -0.36 0.00 0.00 175.35 174.99 1k57 n GLU 229 N 4.76 0.00 -0.60 4.03 1.02 -0.45 -0.39 120.64 129.00 1k57 n GLU 229 Ca -0.13 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.11 1k57 n GLU 229 Cb 0.46 0.00 0.35 0.00 -0.02 0.00 0.00 31.44 32.23 1k57 n GLU 229 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1k57 n THR 230 N 0.00 1.86 -3.96 2.62 -2.24 -1.26 -4.95 114.28 106.35 1k57 n THR 230 Ca 0.00 -1.23 -0.23 0.00 -2.27 0.00 0.00 64.05 60.31 1k57 n THR 230 Cb 0.00 0.11 -0.03 0.00 -2.10 0.00 0.00 70.33 68.32 1k57 n THR 230 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1k57 s GLU 231 N -1.89 3.42 -0.02 -0.78 2.56 0.47 -5.12 118.70 117.34 1k57 s GLU 231 Ca 0.50 -0.69 0.03 0.00 0.00 0.00 0.00 54.97 54.81 1k57 s GLU 231 Cb 0.33 -2.91 -0.00 0.00 2.00 0.00 0.00 34.13 33.54 1k57 s GLU 231 CO 0.23 0.47 -0.10 0.54 -0.56 0.00 0.00 175.26 175.84 1k57 s VAL 232 N -1.87 0.85 -0.08 3.70 0.11 -1.26 -1.17 120.40 120.69 1k57 s VAL 232 Ca 0.34 -0.42 0.03 0.00 -2.93 0.00 0.00 61.98 59.00 1k57 s VAL 232 Cb -0.10 -0.74 0.01 0.00 -1.53 0.00 0.00 36.38 34.02 1k57 s VAL 232 CO 0.29 0.26 -0.18 -0.31 -3.33 0.00 0.00 175.10 171.82 1k57 s TYR 233 N 0.01 1.95 -0.06 1.54 1.51 0.52 -0.57 117.35 122.25 1k57 s TYR 233 Ca -0.00 -0.75 -0.03 0.00 -1.01 0.00 0.00 57.07 55.28 1k57 s TYR 233 Cb -0.07 -1.35 -0.04 0.00 -0.11 0.00 0.00 41.96 40.39 1k57 s TYR 233 CO 0.00 -0.33 0.10 -0.06 -1.11 0.00 0.00 175.55 174.16 1k57 s PHE 234 N 0.46 3.41 0.00 2.71 0.40 -0.34 -0.59 117.98 124.04 1k57 s PHE 234 Ca -0.15 0.34 -0.10 0.00 -0.60 0.00 0.00 56.93 56.42 1k57 s PHE 234 Cb -0.16 -1.83 0.01 0.00 0.51 0.00 0.00 43.02 41.54 1k57 s PHE 234 CO 0.06 0.62 0.19 -0.59 0.70 0.00 0.00 175.22 176.19 1k57 s PHE 235 N -1.09 -0.02 -0.15 0.36 -0.12 0.08 -0.91 117.98 116.14 1k57 s PHE 235 Ca 0.19 -0.04 -0.07 0.00 -0.05 0.00 0.00 56.93 56.96 1k57 s PHE 235 Cb -0.12 -0.01 0.06 0.00 -0.63 0.00 0.00 43.02 42.32 1k57 s PHE 235 CO 0.09 -0.33 0.33 0.00 -0.05 0.00 0.00 175.22 175.26 1k57 s ALA 236 N -1.47 -0.81 -0.02 1.99 0.00 -0.58 -1.61 121.76 119.26 1k57 s ALA 236 Ca -0.14 1.23 0.07 0.00 0.00 0.00 0.00 51.96 53.13 1k57 s ALA 236 Cb -0.06 -0.94 -0.02 0.00 0.00 0.00 0.00 23.12 22.10 1k57 s ALA 236 CO 0.02 -0.42 -0.24 0.12 0.00 0.00 0.00 175.76 175.24 1k57 s PHE 237 N 1.82 2.13 0.05 0.00 2.19 -0.05 -0.88 117.98 123.24 1k57 s PHE 237 Ca -0.06 -0.40 -0.03 0.00 0.33 0.00 0.00 56.93 56.78 1k57 s PHE 237 Cb -0.10 -1.37 -0.03 0.00 -1.31 0.00 0.00 43.02 40.21 1k57 s PHE 237 CO -0.11 -0.04 0.02 0.54 1.83 0.00 0.00 175.22 177.47 1k57 s ASN 238 N -0.56 0.36 0.01 6.13 2.20 0.08 -1.63 114.94 121.53 1k57 s ASN 238 Ca 0.09 -0.82 -0.22 0.00 -0.94 0.00 0.00 52.86 50.98 1k57 s ASN 238 Cb -0.09 0.21 0.05 0.00 -2.00 0.00 0.00 41.25 39.41 1k57 s ASN 238 CO -0.01 -0.56 0.49 0.00 -2.94 0.00 0.00 177.10 174.08 1k57 s MET 239 N -3.38 0.94 0.18 3.55 0.23 -0.49 -0.01 119.30 120.31 1k57 s MET 239 Ca 0.02 -0.15 -0.28 0.00 -1.03 0.00 0.00 55.69 54.25 1k57 s MET 239 Cb 0.04 0.43 -0.08 0.00 -1.53 0.00 0.00 34.83 33.69 1k57 s MET 239 CO -0.08 -0.31 0.87 -0.51 -2.03 0.00 0.00 175.02 172.96 1k57 s ASP 240 N -1.68 7.50 -0.10 -1.18 1.01 -0.07 -1.25 116.67 120.90 1k57 s ASP 240 Ca -0.08 1.77 0.01 0.00 0.71 0.00 0.00 52.55 54.96 1k57 s ASP 240 Cb -0.01 -2.55 0.02 0.00 1.01 0.00 0.00 42.92 41.38 1k57 s ASP 240 CO 0.02 0.13 -0.13 -0.51 0.21 0.00 0.00 175.17 174.88 1k57 s ILE 241 N -0.87 1.35 -0.05 0.77 2.07 0.13 -4.70 121.20 119.89 1k57 s ILE 241 Ca 0.40 -0.55 0.08 0.00 -1.41 0.00 0.00 60.65 59.17 1k57 s ILE 241 Cb -0.24 -1.25 0.13 0.00 0.13 0.00 0.00 42.46 41.23 1k57 s ILE 241 CO 0.29 0.41 1.07 -0.90 -1.91 0.00 0.00 174.94 173.90 1k57 n ASP 242 N 4.27 0.92 -3.59 4.50 3.85 -1.26 -1.88 116.55 123.36 1k57 n ASP 242 Ca -0.19 -2.44 -0.08 0.00 -0.71 0.00 0.00 54.79 51.38 1k57 n ASP 242 Cb 0.51 -0.29 -0.09 0.00 -1.35 0.00 0.00 41.12 39.90 1k57 n ASP 242 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.20 176.40 1k57 s ASN 243 N -1.77 -0.26 0.44 -1.12 3.84 -1.26 -4.70 114.94 110.11 1k57 s ASN 243 Ca 0.14 0.90 0.19 0.00 0.21 0.00 0.00 52.86 54.29 1k57 s ASN 243 Cb 0.12 1.39 1.13 0.00 -0.55 0.00 0.00 41.25 43.35 1k57 s ASN 243 CO 0.00 -0.24 1.90 -0.08 -2.79 0.00 0.00 177.10 175.89 1k57 h GLU 244 N 8.16 0.33 0.00 0.43 4.81 -1.95 -0.73 114.58 125.62 1k57 h GLU 244 Ca -0.17 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 1k57 h GLU 244 Cb 1.12 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.42 1k57 h GLU 244 CO 0.15 0.22 0.00 -1.13 -0.73 0.00 0.00 179.01 177.52 1k57 n SER 245 N -4.46 0.00 -0.13 1.04 3.41 -1.26 -2.83 113.62 109.39 1k57 n SER 245 Ca 0.16 0.47 0.12 0.00 -0.26 0.00 0.00 58.87 59.37 1k57 n SER 245 Cb 0.64 -0.49 0.31 0.00 -0.26 0.00 0.00 64.21 64.42 1k57 n SER 245 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1k57 n LYS 246 N -1.49 0.43 -0.30 4.33 5.02 -0.28 -4.41 118.16 121.47 1k57 n LYS 246 Ca 0.04 -0.25 0.09 0.00 -2.02 0.00 0.00 58.31 56.17 1k57 n LYS 246 Cb 0.20 -1.49 0.25 0.00 -0.02 0.00 0.00 35.03 33.96 1k57 n LYS 246 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1k57 h LEU 247 N 0.62 0.47 -0.51 -0.35 5.85 -1.66 -1.39 115.31 118.33 1k57 h LEU 247 Ca 0.00 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.83 1k57 h LEU 247 Cb 0.50 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.58 1k57 h LEU 247 CO 0.00 0.16 0.00 -2.65 -0.34 0.00 0.00 178.44 175.61 1k57 n PRO 248 N -4.92 0.09 0.32 5.25 -0.02 -1.26 -2.22 135.00 132.24 1k57 n PRO 248 Ca 0.18 0.43 0.21 0.00 -2.02 0.00 0.00 63.50 62.30 1k57 n PRO 248 Cb 0.49 -1.71 1.10 0.00 -0.02 0.00 0.00 33.50 33.37 1k57 n PRO 248 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1k57 h LEU 249 N 0.00 0.00 -2.34 2.45 3.38 -1.57 -2.08 115.31 115.15 1k57 h LEU 249 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1k57 h LEU 249 Cb 0.19 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 1k57 h LEU 249 CO 0.00 0.01 -0.00 0.08 0.09 0.00 0.00 178.44 178.62 1k57 h ARG 250 N 0.00 0.00 0.00 1.13 0.11 -1.63 -0.91 114.38 113.08 1k57 h ARG 250 Ca -0.00 0.00 -0.32 0.00 0.10 0.00 0.00 59.98 59.76 1k57 h ARG 250 Cb 0.07 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.09 1k57 h ARG 250 CO 0.00 0.00 -2.19 1.63 0.10 0.00 0.00 179.97 179.51 1k57 n LYS 251 N -4.04 0.98 0.09 0.08 5.02 -0.82 -4.55 118.16 114.91 1k57 n LYS 251 Ca -0.03 0.04 -0.11 0.00 -2.02 0.00 0.00 58.31 56.19 1k57 n LYS 251 Cb 0.08 -1.44 -0.07 0.00 -0.02 0.00 0.00 35.03 33.59 1k57 n LYS 251 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1k57 h SER 252 N 0.00 0.28 0.18 4.39 4.64 -1.14 -2.22 113.55 119.69 1k57 h SER 252 Ca -0.47 -0.27 -0.01 0.00 -0.47 0.00 0.00 61.79 60.57 1k57 h SER 252 Cb 1.95 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.95 1k57 h SER 252 CO -0.01 1.13 -0.09 0.40 -0.87 0.00 0.00 176.83 177.39 1k57 h ILE 253 N 0.09 0.90 -0.94 0.95 2.04 -1.44 -0.85 117.51 118.25 1k57 h ILE 253 Ca -0.07 -0.43 0.02 0.00 1.00 0.00 0.00 64.86 65.38 1k57 h ILE 253 Cb 1.70 1.17 -0.05 0.00 -0.74 0.00 0.00 36.82 38.90 1k57 h ILE 253 CO 0.16 0.10 0.62 -0.65 0.00 0.00 0.00 178.15 178.38 1k57 h PRO 254 N -0.46 1.19 -0.52 2.37 0.11 -1.77 -0.83 132.00 132.10 1k57 h PRO 254 Ca -0.03 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 66.01 1k57 h PRO 254 Cb 0.35 -0.27 -0.02 0.00 0.11 0.00 0.00 31.00 31.17 1k57 h PRO 254 CO 0.04 0.79 0.31 1.15 -0.21 0.00 0.00 178.00 180.07 1k57 h THR 255 N 1.22 1.16 -0.40 -1.15 2.02 -1.23 0.17 112.91 114.70 1k57 h THR 255 Ca 0.36 -0.37 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 1k57 h THR 255 Cb -0.05 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 66.81 1k57 h THR 255 CO -0.10 0.16 0.21 0.11 0.37 0.00 0.00 175.52 176.28 1k57 h LYS 256 N 0.69 0.56 -0.44 6.66 1.57 -0.67 0.78 116.57 125.72 1k57 h LYS 256 Ca 0.18 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1k57 h LYS 256 Cb -0.00 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 1k57 h LYS 256 CO -0.03 0.46 0.26 0.82 -0.57 0.00 0.00 179.45 180.39 1k57 h ILE 257 N 0.51 1.14 -0.76 1.86 2.04 -0.87 -0.43 117.51 121.00 1k57 h ILE 257 Ca 0.14 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 1k57 h ILE 257 Cb 0.07 0.57 -0.04 0.00 -0.74 0.00 0.00 36.82 36.68 1k57 h ILE 257 CO -0.02 0.15 0.45 0.24 0.00 0.00 0.00 178.15 178.96 1k57 h MET 258 N 0.58 1.05 -0.55 2.37 2.86 -0.42 -1.83 114.93 118.99 1k57 h MET 258 Ca 0.16 -0.10 0.05 0.00 -2.06 0.00 0.00 59.70 57.74 1k57 h MET 258 Cb 0.01 -0.21 -0.05 0.00 0.06 0.00 0.00 31.60 31.40 1k57 h MET 258 CO -0.03 0.75 0.29 1.49 1.06 0.00 0.00 176.91 180.48 1k57 h GLU 259 N 1.05 0.55 0.00 1.72 4.81 -0.51 -1.01 114.58 121.18 1k57 h GLU 259 Ca 0.27 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 1k57 h GLU 259 Cb -0.02 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.24 1k57 h GLU 259 CO -0.05 0.36 0.00 0.66 -0.73 0.00 0.00 179.01 179.25 1k57 h SER 260 N 0.57 0.00 -0.01 1.04 4.64 -0.29 -0.55 113.55 118.94 1k57 h SER 260 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 1k57 h SER 260 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1k57 h SER 260 CO -0.16 0.00 -0.01 -0.62 -0.87 0.00 0.00 176.83 175.17 1k57 n GLU 261 N -2.88 1.69 -0.82 4.77 -0.58 -0.74 -4.95 120.64 117.12 1k57 n GLU 261 Ca 0.01 -1.03 0.00 0.00 -0.42 0.00 0.00 57.16 55.72 1k57 n GLU 261 Cb 0.26 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.65 1k57 n GLU 261 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1k57 n GLY 262 N 1.20 0.60 0.18 0.62 0.00 -0.22 -4.96 105.19 102.61 1k57 n GLY 262 Ca 0.18 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.01 1k57 n GLY 262 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1k57 h ILE 263 N 0.00 1.31 -0.00 -0.61 2.04 -1.42 -3.35 117.51 115.47 1k57 h ILE 263 Ca 0.00 -2.39 -0.16 0.00 1.00 0.00 0.00 64.86 63.31 1k57 h ILE 263 Cb 0.00 2.52 -0.02 0.00 -0.74 0.00 0.00 36.82 38.58 1k57 h ILE 263 CO 0.00 0.73 -0.73 0.40 0.00 0.00 0.00 178.15 178.55 1k57 h ILE 264 N 0.31 1.51 -0.03 -0.67 2.04 -1.85 -3.49 117.51 115.33 1k57 h ILE 264 Ca -0.14 -2.46 0.00 0.00 1.00 0.00 0.00 64.86 63.25 1k57 h ILE 264 Cb 1.77 2.33 0.00 0.00 -0.74 0.00 0.00 36.82 40.18 1k57 h ILE 264 CO 0.21 0.71 0.00 0.61 0.00 0.00 0.00 178.15 179.68