#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c51 n SER 2 N 0.00 2.42 -0.70 0.00 2.88 -1.26 -4.81 113.62 112.15 2c51 n SER 2 Ca 0.00 0.80 0.08 0.00 -1.33 0.00 0.00 58.87 58.42 2c51 n SER 2 Cb 0.00 -1.21 0.09 0.00 -0.75 0.00 0.00 64.21 62.34 2c51 n SER 2 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2c51 n ASN 3 N 7.32 2.52 -3.86 -3.46 0.23 -1.26 -4.75 115.26 111.99 2c51 n ASN 3 Ca 0.32 -1.73 -0.42 0.00 -0.53 0.00 0.00 54.58 52.22 2c51 n ASN 3 Cb 0.19 -0.05 0.00 0.00 -2.08 0.00 0.00 39.78 37.83 2c51 n ASN 3 CO 0.00 0.00 0.00 0.33 -0.93 0.00 0.00 177.26 176.66 2c51 n PHE 4 N 0.93 3.46 -4.48 -2.53 7.35 -1.26 -4.89 117.46 116.04 2c51 n PHE 4 Ca 0.11 -2.92 -0.23 0.00 -0.76 0.00 0.00 57.45 53.65 2c51 n PHE 4 Cb 0.42 -2.34 -0.10 0.00 0.35 0.00 0.00 39.48 37.81 2c51 n PHE 4 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2c51 s THR 5 N 2.21 1.72 0.63 -2.13 -4.23 -1.26 -4.87 115.64 107.71 2c51 s THR 5 Ca 0.45 -2.11 -0.14 0.00 -1.18 0.00 0.00 61.69 58.71 2c51 s THR 5 Cb 0.11 -2.61 -0.02 0.00 1.34 0.00 0.00 72.50 71.32 2c51 s THR 5 CO -0.04 -0.20 1.06 0.00 -0.54 0.00 0.00 174.62 174.90 2c51 s GLN 6 N -3.73 3.19 0.23 3.99 -2.07 -1.26 -4.72 119.66 115.28 2c51 s GLN 6 Ca 0.32 1.12 -0.14 0.00 -1.82 0.00 0.00 55.36 54.84 2c51 s GLN 6 Cb 0.05 -2.02 0.00 0.00 -1.09 0.00 0.00 33.01 29.96 2c51 s GLN 6 CO 0.14 -0.91 0.49 -0.59 -1.32 0.00 0.00 175.29 173.10 2c51 s PHE 7 N -2.65 0.22 -0.30 9.60 -0.12 -0.81 -5.00 117.98 118.92 2c51 s PHE 7 Ca 0.62 -0.59 -0.22 0.00 -0.05 0.00 0.00 56.93 56.68 2c51 s PHE 7 Cb -0.15 0.25 -0.00 0.00 -0.63 0.00 0.00 43.02 42.49 2c51 s PHE 7 CO 0.43 -0.98 0.72 0.08 -0.05 0.00 0.00 175.22 175.43 2c51 s VAL 8 N -3.98 4.86 -0.18 -2.49 1.01 -1.26 -1.26 120.40 117.10 2c51 s VAL 8 Ca 0.18 1.07 -0.23 0.00 0.00 0.00 0.00 61.98 63.00 2c51 s VAL 8 Cb -0.01 -4.08 -0.21 0.00 0.00 0.00 0.00 36.38 32.09 2c51 s VAL 8 CO 0.06 -0.19 0.38 0.25 0.00 0.00 0.00 175.10 175.59 2c51 h LEU 9 N 9.31 0.00 -8.18 3.92 5.85 -1.40 -3.44 115.31 121.36 2c51 h LEU 9 Ca -0.25 -0.64 -0.68 0.00 0.84 0.00 0.00 57.88 57.15 2c51 h LEU 9 Cb 1.11 0.00 -0.30 0.00 0.37 0.00 0.00 40.66 41.83 2c51 h LEU 9 CO 0.85 1.30 -0.68 -0.69 -0.34 0.00 0.00 178.44 178.88 2c51 s VAL 10 N -2.30 3.31 -0.31 1.05 1.01 -1.09 -5.00 120.40 117.07 2c51 s VAL 10 Ca -0.25 -1.06 -0.13 0.00 0.00 0.00 0.00 61.98 60.54 2c51 s VAL 10 Cb 0.03 -2.78 -0.03 0.00 0.00 0.00 0.00 36.38 33.60 2c51 s VAL 10 CO 0.60 0.03 0.29 -0.62 0.00 0.00 0.00 175.10 175.40 2c51 s ASP 11 N 1.36 6.12 -0.37 3.32 2.15 -1.26 -0.86 116.67 127.14 2c51 s ASP 11 Ca -0.01 -0.11 0.05 0.00 0.43 0.00 0.00 52.55 52.92 2c51 s ASP 11 Cb -0.18 -2.17 0.45 0.00 -0.30 0.00 0.00 42.92 40.73 2c51 s ASP 11 CO -0.01 -0.21 1.32 0.59 -0.17 0.00 0.00 175.17 176.70 2c51 n ASN 12 N 5.23 5.35 -3.27 -0.34 3.02 -1.26 -4.95 115.26 119.03 2c51 n ASN 12 Ca -0.11 -3.75 -0.10 0.00 -0.03 0.00 0.00 54.58 50.58 2c51 n ASN 12 Cb 0.50 -0.45 0.02 0.00 -0.61 0.00 0.00 39.78 39.24 2c51 n ASN 12 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2c51 n GLY 13 N -0.72 -1.21 4.85 7.41 0.00 -1.26 -3.29 105.19 110.98 2c51 n GLY 13 Ca 0.46 0.51 0.00 0.00 0.00 0.00 0.00 46.02 47.00 2c51 n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c51 n GLY 14 N -1.64 0.17 3.49 -0.02 0.00 -1.26 -4.85 105.19 101.07 2c51 n GLY 14 Ca -0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 2c51 n GLY 14 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2c51 s THR 15 N 0.00 4.99 0.00 2.61 -1.32 -1.21 -4.05 115.64 116.65 2c51 s THR 15 Ca 0.00 -0.22 0.00 0.00 -1.21 0.00 0.00 61.69 60.26 2c51 s THR 15 Cb 0.00 -4.12 0.00 0.00 -1.51 0.00 0.00 72.50 66.87 2c51 s THR 15 CO 0.00 -0.51 0.00 0.61 -2.21 0.00 0.00 174.62 172.51 2c51 n GLY 16 N 5.09 0.76 3.78 6.08 0.00 -1.26 -4.68 105.19 114.96 2c51 n GLY 16 Ca -0.05 -0.66 -0.36 0.00 0.00 0.00 0.00 46.02 44.95 2c51 n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2c51 s ASP 17 N -2.66 6.36 -0.32 1.61 1.11 -1.26 -4.64 116.67 116.87 2c51 s ASP 17 Ca 0.00 2.12 -0.09 0.00 0.18 0.00 0.00 52.55 54.76 2c51 s ASP 17 Cb 0.00 -2.59 0.00 0.00 1.07 0.00 0.00 42.92 41.41 2c51 s ASP 17 CO 0.00 -0.77 0.15 -0.69 1.18 0.00 0.00 175.17 175.03 2c51 s VAL 18 N -1.70 4.45 -0.10 -1.27 1.01 -0.04 -5.00 120.40 117.76 2c51 s VAL 18 Ca 0.63 -0.56 -0.05 0.00 0.00 0.00 0.00 61.98 62.00 2c51 s VAL 18 Cb -0.23 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.80 2c51 s VAL 18 CO 0.28 0.02 0.11 -0.89 0.00 0.00 0.00 175.10 174.62 2c51 s THR 19 N 1.58 5.20 -0.08 3.92 2.01 -1.26 -0.97 115.64 126.04 2c51 s THR 19 Ca 0.04 0.06 0.05 0.00 0.31 0.00 0.00 61.69 62.14 2c51 s THR 19 Cb -0.17 -3.27 -0.00 0.00 0.01 0.00 0.00 72.50 69.06 2c51 s THR 19 CO 0.05 0.59 -0.23 0.54 -0.69 0.00 0.00 174.62 174.88 2c51 s VAL 20 N -1.02 1.97 0.17 3.82 0.11 -0.39 -4.42 120.40 120.64 2c51 s VAL 20 Ca 0.16 -0.99 0.09 0.00 -2.93 0.00 0.00 61.98 58.31 2c51 s VAL 20 Cb -0.12 -1.69 -0.04 0.00 -1.53 0.00 0.00 36.38 33.00 2c51 s VAL 20 CO 0.05 0.54 -0.19 0.00 -3.33 0.00 0.00 175.10 172.17 2c51 s ALA 21 N 0.14 2.12 0.04 1.54 0.00 -0.69 -1.93 121.76 122.98 2c51 s ALA 21 Ca -0.12 -1.52 -0.37 0.00 0.00 0.00 0.00 51.96 49.95 2c51 s ALA 21 Cb -0.16 -0.21 -0.16 0.00 0.00 0.00 0.00 23.12 22.59 2c51 s ALA 21 CO 0.06 0.27 1.45 -2.30 0.00 0.00 0.00 175.76 175.25 2c51 n PRO 22 N 0.28 1.32 0.00 0.00 -0.02 -1.26 -1.49 135.00 133.83 2c51 n PRO 22 Ca -0.13 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 2c51 n PRO 22 Cb 0.57 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 2c51 n PRO 22 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2c51 n SER 23 N 3.21 0.13 -3.57 2.55 3.41 0.56 -4.85 113.62 115.06 2c51 n SER 23 Ca 0.20 -0.12 -0.11 0.00 -0.26 0.00 0.00 58.87 58.57 2c51 n SER 23 Cb 0.20 0.27 -0.05 0.00 -0.26 0.00 0.00 64.21 64.37 2c51 n SER 23 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2c51 s ASN 24 N -0.30 -0.41 0.00 4.04 3.84 -1.20 -4.99 114.94 115.92 2c51 s ASN 24 Ca 0.00 0.43 0.06 0.00 0.21 0.00 0.00 52.86 53.56 2c51 s ASN 24 Cb 0.00 0.34 0.10 0.00 -0.55 0.00 0.00 41.25 41.14 2c51 s ASN 24 CO 0.00 -0.39 0.98 0.33 -2.79 0.00 0.00 177.10 175.23 2c51 n PHE 25 N 0.70 0.00 -1.96 0.43 -0.00 -1.26 -1.32 117.46 114.06 2c51 n PHE 25 Ca -0.11 -0.14 -0.42 0.00 -0.00 0.00 0.00 57.45 56.78 2c51 n PHE 25 Cb 0.58 -0.02 -0.03 0.00 -0.00 0.00 0.00 39.48 40.01 2c51 n PHE 25 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2c51 s ALA 26 N 0.00 3.70 -1.14 3.13 0.00 -1.25 -2.88 121.76 123.31 2c51 s ALA 26 Ca 0.08 1.22 0.00 0.00 0.00 0.00 0.00 51.96 53.26 2c51 s ALA 26 Cb 0.09 -3.67 0.00 0.00 0.00 0.00 0.00 23.12 19.54 2c51 s ALA 26 CO -0.04 -1.00 0.00 0.09 0.00 0.00 0.00 175.76 174.81 2c51 n ASN 27 N 5.16 -4.13 0.00 0.00 3.02 -1.26 -2.74 115.26 115.31 2c51 n ASN 27 Ca 0.15 -0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.70 2c51 n ASN 27 Cb 0.40 -3.30 0.00 0.00 -0.61 0.00 0.00 39.78 36.27 2c51 n ASN 27 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2c51 n GLY 28 N -1.02 1.17 3.56 7.41 0.00 -1.14 -4.95 105.19 110.21 2c51 n GLY 28 Ca -0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 2c51 n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2c51 s VAL 29 N -2.75 4.59 0.29 1.61 1.01 -1.11 -4.72 120.40 119.33 2c51 s VAL 29 Ca 0.00 0.61 -0.28 0.00 0.00 0.00 0.00 61.98 62.31 2c51 s VAL 29 Cb 0.00 -4.35 -0.09 0.00 0.00 0.00 0.00 36.38 31.93 2c51 s VAL 29 CO 0.00 -0.73 0.98 0.00 0.00 0.00 0.00 175.10 175.35 2c51 s ALA 30 N 3.45 3.28 -0.00 5.51 0.00 -0.70 -3.85 121.76 129.44 2c51 s ALA 30 Ca 0.33 0.64 0.02 0.00 0.00 0.00 0.00 51.96 52.96 2c51 s ALA 30 Cb -0.11 -3.23 -0.01 0.00 0.00 0.00 0.00 23.12 19.77 2c51 s ALA 30 CO 0.23 0.08 -0.08 -2.00 0.00 0.00 0.00 175.76 174.00 2c51 s GLU 31 N -1.68 0.64 -0.03 0.00 2.12 -0.44 -1.56 118.70 117.76 2c51 s GLU 31 Ca 0.47 -0.31 0.03 0.00 0.36 0.00 0.00 54.97 55.51 2c51 s GLU 31 Cb -0.24 -0.61 0.00 0.00 0.26 0.00 0.00 34.13 33.54 2c51 s GLU 31 CO 0.30 0.17 -0.11 -1.58 -0.54 0.00 0.00 175.26 173.50 2c51 s TRP 32 N -0.25 1.07 0.07 5.30 0.51 0.45 -0.33 118.94 125.76 2c51 s TRP 32 Ca 0.02 -0.26 0.00 0.00 -2.12 0.00 0.00 56.10 53.75 2c51 s TRP 32 Cb -0.03 -0.74 -0.04 0.00 -0.81 0.00 0.00 33.47 31.85 2c51 s TRP 32 CO -0.00 -0.09 -0.05 0.96 -0.51 0.00 0.00 176.95 177.26 2c51 s ILE 33 N 0.09 0.42 0.76 2.03 -4.36 -0.55 -0.68 121.20 118.90 2c51 s ILE 33 Ca -0.02 -1.76 -0.08 0.00 -0.26 0.00 0.00 60.65 58.54 2c51 s ILE 33 Cb -0.08 -1.45 0.10 0.00 1.25 0.00 0.00 42.46 42.28 2c51 s ILE 33 CO 0.01 -0.88 1.08 -0.94 0.24 0.00 0.00 174.94 174.44 2c51 s SER 34 N -2.80 4.40 -1.36 4.36 1.04 -0.57 -1.70 113.70 117.07 2c51 s SER 34 Ca 0.06 0.30 -0.14 0.00 0.48 0.00 0.00 55.95 56.66 2c51 s SER 34 Cb 0.05 -0.79 0.09 0.00 0.10 0.00 0.00 66.02 65.47 2c51 s SER 34 CO -0.07 -1.87 1.98 -0.24 0.98 0.00 0.00 173.24 174.02 2c51 n SER 35 N -3.09 4.49 -2.64 7.02 2.88 -1.26 -4.77 113.62 116.25 2c51 n SER 35 Ca 0.10 -2.93 -0.13 0.00 -1.33 0.00 0.00 58.87 54.58 2c51 n SER 35 Cb 0.60 -1.63 -0.04 0.00 -0.75 0.00 0.00 64.21 62.39 2c51 n SER 35 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2c51 n ASN 36 N 6.05 -0.81 -4.82 -3.46 3.02 -1.26 -5.08 115.26 108.91 2c51 n ASN 36 Ca 0.47 -2.59 -0.31 0.00 -0.03 0.00 0.00 54.58 52.13 2c51 n ASN 36 Cb 0.40 1.64 0.06 0.00 -0.61 0.00 0.00 39.78 41.27 2c51 n ASN 36 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2c51 s SER 37 N -2.75 5.22 0.20 6.41 1.04 -1.26 -4.80 113.70 117.76 2c51 s SER 37 Ca 0.27 1.58 0.23 0.00 0.48 0.00 0.00 55.95 58.51 2c51 s SER 37 Cb 0.00 -2.43 0.91 0.00 0.10 0.00 0.00 66.02 64.60 2c51 s SER 37 CO 0.19 -1.54 1.69 0.54 0.98 0.00 0.00 173.24 175.10 2c51 n ARG 38 N -3.19 0.16 0.12 4.02 1.74 -1.26 -1.30 116.66 116.96 2c51 n ARG 38 Ca 0.07 0.34 0.02 0.00 -0.77 0.00 0.00 57.85 57.52 2c51 n ARG 38 Cb 0.54 -1.78 0.01 0.00 -1.02 0.00 0.00 32.46 30.20 2c51 n ARG 38 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2c51 h SER 39 N 0.00 0.00 -0.10 0.55 4.64 -1.98 -3.32 113.55 113.34 2c51 h SER 39 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2c51 h SER 39 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 2c51 h SER 39 CO 0.00 0.51 0.00 0.00 -0.87 0.00 0.00 176.83 176.47 2c51 n GLN 40 N -3.18 2.88 -2.29 4.77 6.02 -0.97 -4.99 117.38 119.63 2c51 n GLN 40 Ca 0.01 -1.64 -0.28 0.00 -0.01 0.00 0.00 57.00 55.08 2c51 n GLN 40 Cb 0.75 -1.08 0.03 0.00 1.02 0.00 0.00 30.24 30.96 2c51 n GLN 40 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2c51 s ALA 41 N -0.98 3.22 -0.19 -1.58 0.00 -0.42 -4.74 121.76 117.07 2c51 s ALA 41 Ca 0.07 -0.58 -0.15 0.00 0.00 0.00 0.00 51.96 51.30 2c51 s ALA 41 Cb 0.03 -2.71 -0.04 0.00 0.00 0.00 0.00 23.12 20.40 2c51 s ALA 41 CO 0.05 -0.82 0.37 0.71 0.00 0.00 0.00 175.76 176.07 2c51 s TYR 42 N -3.05 3.39 0.02 0.00 1.51 -1.26 -4.37 117.35 113.59 2c51 s TYR 42 Ca 0.54 0.60 0.07 0.00 -1.01 0.00 0.00 57.07 57.27 2c51 s TYR 42 Cb -0.11 -2.48 -0.02 0.00 -0.11 0.00 0.00 41.96 39.24 2c51 s TYR 42 CO 0.47 0.04 -0.21 0.21 -1.11 0.00 0.00 175.55 174.94 2c51 s LYS 43 N 1.15 1.52 -0.02 -0.62 2.20 -0.91 -1.51 119.74 121.54 2c51 s LYS 43 Ca 0.18 -0.89 0.00 0.00 -0.36 0.00 0.00 55.97 54.90 2c51 s LYS 43 Cb -0.14 -1.58 0.03 0.00 -1.51 0.00 0.00 37.83 34.62 2c51 s LYS 43 CO 0.07 0.41 0.01 0.08 -0.36 0.00 0.00 175.35 175.56 2c51 s VAL 44 N -0.70 0.10 0.07 4.02 1.01 0.14 -1.00 120.40 124.03 2c51 s VAL 44 Ca 0.08 0.11 0.04 0.00 0.00 0.00 0.00 61.98 62.21 2c51 s VAL 44 Cb -0.09 -0.20 -0.03 0.00 0.00 0.00 0.00 36.38 36.07 2c51 s VAL 44 CO 0.01 0.12 -0.12 0.42 0.00 0.00 0.00 175.10 175.53 2c51 s THR 45 N 0.94 0.94 -0.13 3.92 -4.23 -0.42 -0.41 115.64 116.26 2c51 s THR 45 Ca -0.09 -1.31 -0.16 0.00 -1.18 0.00 0.00 61.69 58.96 2c51 s THR 45 Cb -0.12 -1.00 0.04 0.00 1.34 0.00 0.00 72.50 72.75 2c51 s THR 45 CO -0.02 -0.32 0.42 0.00 -0.54 0.00 0.00 174.62 174.16 2c51 s SER 47 N -0.15 -0.27 0.03 0.00 1.04 -0.95 -1.72 113.70 111.68 2c51 s SER 47 Ca -0.03 -0.29 0.03 0.00 0.48 0.00 0.00 55.95 56.13 2c51 s SER 47 Cb -0.03 0.49 -0.02 0.00 0.10 0.00 0.00 66.02 66.56 2c51 s SER 47 CO 0.02 -0.87 -0.10 -0.69 0.98 0.00 0.00 173.24 172.58 2c51 s VAL 48 N -3.80 0.74 0.16 5.02 1.01 -1.26 -1.34 120.40 120.92 2c51 s VAL 48 Ca 0.03 -0.82 -0.18 0.00 0.00 0.00 0.00 61.98 61.01 2c51 s VAL 48 Cb 0.01 -0.70 0.04 0.00 0.00 0.00 0.00 36.38 35.73 2c51 s VAL 48 CO -0.12 -0.09 0.48 0.00 0.00 0.00 0.00 175.10 175.37 2c51 s ARG 49 N -1.02 1.22 -0.79 2.72 1.70 -0.99 -4.98 118.95 116.82 2c51 s ARG 49 Ca -0.02 -0.74 -0.23 0.00 -0.47 0.00 0.00 55.73 54.27 2c51 s ARG 49 Cb -0.07 0.51 0.07 0.00 -0.57 0.00 0.00 34.95 34.89 2c51 s ARG 49 CO 0.01 -0.51 1.13 -1.14 -1.08 0.00 0.00 175.30 173.71 2c51 s GLN 50 N -3.83 3.30 0.40 3.89 2.00 -1.26 0.29 119.66 124.45 2c51 s GLN 50 Ca 0.05 -0.98 0.10 0.00 -2.00 0.00 0.00 55.36 52.54 2c51 s GLN 50 Cb 0.00 -4.53 0.82 0.00 0.80 0.00 0.00 33.01 30.10 2c51 s GLN 50 CO -0.08 -1.92 1.93 0.66 -0.50 0.00 0.00 175.29 175.38 2c51 h SER 51 N 9.52 0.20 -1.61 6.67 4.64 -1.63 -3.47 113.55 127.87 2c51 h SER 51 Ca -0.12 -0.04 -0.02 0.00 -0.47 0.00 0.00 61.79 61.14 2c51 h SER 51 Cb 1.05 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 63.08 2c51 h SER 51 CO 1.22 0.35 0.03 -1.54 -0.87 0.00 0.00 176.83 176.02 2c51 n SER 52 N -4.29 -0.42 0.15 4.97 3.41 -1.08 -4.99 113.62 111.37 2c51 n SER 52 Ca -0.01 -1.35 -0.00 0.00 -0.26 0.00 0.00 58.87 57.25 2c51 n SER 52 Cb 0.26 0.72 0.24 0.00 -0.26 0.00 0.00 64.21 65.17 2c51 n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2c51 h ALA 53 N 1.87 1.14 0.00 7.33 0.00 -2.04 -3.23 119.26 124.34 2c51 h ALA 53 Ca -0.07 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2c51 h ALA 53 Cb 0.26 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2c51 h ALA 53 CO 0.09 0.64 -1.34 0.94 0.00 0.00 0.00 179.25 179.57 2c51 n GLN 54 N -3.94 0.38 -4.20 0.00 -0.06 -1.26 -4.91 117.38 103.40 2c51 n GLN 54 Ca -0.02 -0.06 -0.14 0.00 -2.00 0.00 0.00 57.00 54.78 2c51 n GLN 54 Cb 0.52 -1.57 -0.11 0.00 -4.06 0.00 0.00 30.24 25.03 2c51 n GLN 54 CO 0.00 0.00 0.00 -0.80 -0.20 0.00 0.00 177.06 176.06 2c51 s ASN 55 N -4.05 1.53 0.16 1.69 0.01 -1.22 -1.15 114.94 111.91 2c51 s ASN 55 Ca 0.00 -0.88 0.10 0.00 -0.71 0.00 0.00 52.86 51.37 2c51 s ASN 55 Cb 0.14 0.01 -0.04 0.00 0.41 0.00 0.00 41.25 41.77 2c51 s ASN 55 CO 0.85 -0.29 -0.18 -0.13 -1.51 0.00 0.00 177.10 175.83 2c51 s ARG 56 N -3.11 1.74 -0.07 -0.60 0.52 -0.52 -1.74 118.95 115.17 2c51 s ARG 56 Ca 0.09 -1.34 -0.03 0.00 -0.52 0.00 0.00 55.73 53.93 2c51 s ARG 56 Cb -0.01 -2.01 0.04 0.00 0.52 0.00 0.00 34.95 33.49 2c51 s ARG 56 CO -0.00 0.44 0.14 0.21 0.02 0.00 0.00 175.30 176.10 2c51 s LYS 57 N -2.53 0.02 -0.09 3.54 2.20 0.14 -1.34 119.74 121.68 2c51 s LYS 57 Ca 0.21 0.49 -0.19 0.00 -0.36 0.00 0.00 55.97 56.11 2c51 s LYS 57 Cb -0.09 -0.29 -0.04 0.00 -1.51 0.00 0.00 37.83 35.90 2c51 s LYS 57 CO 0.11 -0.28 0.53 0.71 -0.36 0.00 0.00 175.35 176.06 2c51 s TYR 58 N 2.02 3.55 -0.23 4.03 1.51 -0.02 -2.34 117.35 125.87 2c51 s TYR 58 Ca 0.01 1.00 -0.00 0.00 -1.01 0.00 0.00 57.07 57.06 2c51 s TYR 58 Cb -0.12 -2.59 0.03 0.00 -0.11 0.00 0.00 41.96 39.17 2c51 s TYR 58 CO -0.05 0.20 -0.11 0.99 -1.11 0.00 0.00 175.55 175.47 2c51 s THR 59 N 0.48 2.55 -0.14 -0.71 2.01 -0.45 -0.93 115.64 118.45 2c51 s THR 59 Ca 0.29 -1.06 0.02 0.00 0.31 0.00 0.00 61.69 61.24 2c51 s THR 59 Cb -0.16 -2.26 0.01 0.00 0.01 0.00 0.00 72.50 70.10 2c51 s THR 59 CO 0.13 0.28 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.50 2c51 s ILE 60 N 1.29 2.20 -0.04 1.82 1.01 0.10 -2.23 121.20 125.34 2c51 s ILE 60 Ca 0.00 -0.93 0.06 0.00 0.00 0.00 0.00 60.65 59.79 2c51 s ILE 60 Cb -0.16 -1.89 -0.01 0.00 0.01 0.00 0.00 42.46 40.41 2c51 s ILE 60 CO -0.07 0.54 -0.24 -0.54 0.00 0.00 0.00 174.94 174.63 2c51 s LYS 61 N 0.81 2.21 -0.01 2.79 1.02 -0.73 -0.11 119.74 125.73 2c51 s LYS 61 Ca -0.07 -0.86 0.04 0.00 0.02 0.00 0.00 55.97 55.11 2c51 s LYS 61 Cb -0.15 -1.98 -0.01 0.00 -0.52 0.00 0.00 37.83 35.16 2c51 s LYS 61 CO -0.01 0.43 -0.13 0.08 -0.92 0.00 0.00 175.35 174.79 2c51 s VAL 62 N -0.31 1.01 -0.12 3.17 1.01 -0.20 -1.30 120.40 123.65 2c51 s VAL 62 Ca 0.02 -0.57 0.02 0.00 0.00 0.00 0.00 61.98 61.46 2c51 s VAL 62 Cb -0.12 -0.84 0.01 0.00 0.00 0.00 0.00 36.38 35.43 2c51 s VAL 62 CO 0.02 0.27 -0.19 -1.61 0.00 0.00 0.00 175.10 173.59 2c51 s GLU 63 N -0.34 2.61 -0.11 2.72 2.02 -0.17 -0.34 118.70 125.08 2c51 s GLU 63 Ca 0.05 -0.70 0.03 0.00 0.02 0.00 0.00 54.97 54.37 2c51 s GLU 63 Cb -0.05 -2.14 0.00 0.00 0.10 0.00 0.00 34.13 32.04 2c51 s GLU 63 CO -0.00 -0.02 -0.23 0.08 0.02 0.00 0.00 175.26 175.10 2c51 s VAL 64 N 0.86 2.05 0.36 2.63 1.01 -0.56 -2.14 120.40 124.62 2c51 s VAL 64 Ca -0.08 -1.00 -0.24 0.00 0.00 0.00 0.00 61.98 60.66 2c51 s VAL 64 Cb -0.15 -1.79 -0.10 0.00 0.00 0.00 0.00 36.38 34.34 2c51 s VAL 64 CO -0.01 0.56 0.96 -2.16 0.00 0.00 0.00 175.10 174.45 2c51 s PRO 65 N 0.51 4.42 -0.07 2.72 0.04 -1.26 -0.86 135.00 140.50 2c51 s PRO 65 Ca -0.15 1.30 -0.30 0.00 0.04 0.00 0.00 61.00 61.89 2c51 s PRO 65 Cb -0.17 -2.59 -0.02 0.00 0.04 0.00 0.00 34.50 31.76 2c51 s PRO 65 CO 0.05 0.13 1.05 0.21 0.04 0.00 0.00 177.00 178.48 2c51 s LYS 66 N -2.44 4.43 -0.22 4.56 2.20 0.03 -4.92 119.74 123.39 2c51 s LYS 66 Ca 0.55 1.47 0.09 0.00 -0.36 0.00 0.00 55.97 57.72 2c51 s LYS 66 Cb -0.16 -3.53 -0.21 0.00 -1.51 0.00 0.00 37.83 32.42 2c51 s LYS 66 CO 0.21 -0.30 -0.02 0.28 -0.36 0.00 0.00 175.35 175.16 2c51 n VAL 67 N 4.44 1.46 -1.68 4.02 0.31 -1.26 -4.72 118.33 120.90 2c51 n VAL 67 Ca 0.09 -0.72 -0.45 0.00 -0.01 0.00 0.00 64.34 63.25 2c51 n VAL 67 Cb 0.48 -0.97 -0.04 0.00 -0.91 0.00 0.00 33.84 32.40 2c51 n VAL 67 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2c51 n ALA 68 N -2.98 1.70 -1.47 3.52 0.00 -1.26 -1.22 120.51 118.80 2c51 n ALA 68 Ca -0.38 0.35 -0.16 0.00 0.00 0.00 0.00 53.44 53.25 2c51 n ALA 68 Cb 1.07 -2.50 -0.07 0.00 0.00 0.00 0.00 19.45 17.96 2c51 n ALA 68 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2c51 n THR 69 N 4.37 0.00 -2.44 0.00 -2.24 -1.26 -4.98 114.28 107.73 2c51 n THR 69 Ca 0.19 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.62 2c51 n THR 69 Cb 0.33 -1.65 -0.02 0.00 -2.10 0.00 0.00 70.33 66.88 2c51 n THR 69 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 2c51 s GLN 70 N -3.36 3.73 -0.36 -0.78 0.74 -0.36 -5.02 119.66 114.25 2c51 s GLN 70 Ca 0.00 1.49 -0.02 0.00 0.05 0.00 0.00 55.36 56.89 2c51 s GLN 70 Cb 0.00 -2.16 0.08 0.00 1.10 0.00 0.00 33.01 32.03 2c51 s GLN 70 CO 0.00 -0.52 0.11 0.99 -0.55 0.00 0.00 175.29 175.32 2c51 s THR 71 N -1.83 3.08 -0.11 -0.34 2.01 -1.26 -5.06 115.64 112.12 2c51 s THR 71 Ca 0.67 -1.80 -0.35 0.00 0.31 0.00 0.00 61.69 60.52 2c51 s THR 71 Cb -0.20 -2.99 -0.12 0.00 0.01 0.00 0.00 72.50 69.20 2c51 s THR 71 CO 0.24 -0.44 1.88 0.52 -0.69 0.00 0.00 174.62 176.13 2c51 n VAL 72 N 4.57 0.56 -0.85 3.82 0.31 -1.26 -0.80 118.33 124.69 2c51 n VAL 72 Ca -0.06 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 2c51 n VAL 72 Cb 0.42 -1.84 0.00 0.00 -0.91 0.00 0.00 33.84 31.52 2c51 n VAL 72 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2c51 n GLY 73 N 4.45 0.89 3.94 2.92 0.00 -1.26 -5.03 105.19 111.09 2c51 n GLY 73 Ca 0.23 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.00 2c51 n GLY 73 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2c51 s GLY 74 N -1.86 1.71 -0.44 -0.02 0.00 0.02 -5.04 107.32 101.69 2c51 s GLY 74 Ca 0.00 -1.05 -0.17 0.00 0.00 0.00 0.00 44.72 43.50 2c51 s GLY 74 CO 0.00 -0.60 0.43 0.14 0.00 0.00 0.00 173.10 173.07 2c51 s VAL 75 N -3.27 5.11 -0.27 1.40 1.01 -1.26 -5.00 120.40 118.12 2c51 s VAL 75 Ca 0.62 -0.50 -0.03 0.00 0.00 0.00 0.00 61.98 62.07 2c51 s VAL 75 Cb -0.10 -4.06 0.03 0.00 0.00 0.00 0.00 36.38 32.25 2c51 s VAL 75 CO 0.45 -0.47 -0.02 -1.61 0.00 0.00 0.00 175.10 173.45 2c51 s GLU 76 N 2.06 2.77 0.13 2.72 2.02 -1.26 -5.10 118.70 122.04 2c51 s GLU 76 Ca 0.10 -1.04 0.10 0.00 0.02 0.00 0.00 54.97 54.16 2c51 s GLU 76 Cb -0.18 -3.11 -0.04 0.00 0.10 0.00 0.00 34.13 30.90 2c51 s GLU 76 CO 0.12 -0.47 -0.25 -0.51 0.02 0.00 0.00 175.26 174.17 2c51 s LEU 77 N 1.34 2.34 0.40 1.80 2.01 -1.26 -4.09 118.68 121.21 2c51 s LEU 77 Ca -0.01 -0.76 -0.23 0.00 0.01 0.00 0.00 54.13 53.14 2c51 s LEU 77 Cb -0.18 -1.14 -0.10 0.00 0.01 0.00 0.00 46.19 44.78 2c51 s LEU 77 CO -0.02 0.14 0.96 -2.16 1.01 0.00 0.00 176.35 176.28 2c51 s PRO 78 N -2.14 4.31 0.39 1.29 0.04 -1.26 -5.00 135.00 132.62 2c51 s PRO 78 Ca 0.14 1.24 0.13 0.00 0.04 0.00 0.00 61.00 62.54 2c51 s PRO 78 Cb -0.10 -2.40 0.95 0.00 0.04 0.00 0.00 34.50 32.99 2c51 s PRO 78 CO 0.06 0.03 1.87 0.28 0.04 0.00 0.00 177.00 179.29 2c51 h VAL 79 N 2.13 0.77 0.00 -0.36 2.07 -2.01 -0.93 116.25 117.92 2c51 h VAL 79 Ca -0.48 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 2c51 h VAL 79 Cb 1.19 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 31.14 2c51 h VAL 79 CO 0.62 0.10 -0.05 0.00 0.02 0.00 0.00 177.57 178.27 2c51 h ALA 80 N 1.62 1.13 0.00 1.67 0.00 -1.93 -2.28 119.26 119.46 2c51 h ALA 80 Ca 0.44 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.31 2c51 h ALA 80 Cb 0.90 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2c51 h ALA 80 CO -0.19 0.06 -0.28 0.00 0.00 0.00 0.00 179.25 178.84 2c51 h ALA 81 N 1.95 0.85 -0.32 0.00 0.00 -1.55 -3.35 119.26 116.83 2c51 h ALA 81 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2c51 h ALA 81 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2c51 h ALA 81 CO 0.01 0.00 0.00 0.91 0.00 0.00 0.00 179.25 180.17 2c51 n TRP 82 N -2.70 0.49 -3.91 0.00 7.02 -0.86 -4.92 117.44 112.55 2c51 n TRP 82 Ca 0.03 -0.54 -0.11 0.00 -1.02 0.00 0.00 57.50 55.87 2c51 n TRP 82 Cb 0.50 -0.06 -0.11 0.00 -2.42 0.00 0.00 31.31 29.22 2c51 n TRP 82 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 2c51 s ARG 83 N -1.19 0.33 0.00 -0.99 0.52 -1.19 -0.79 118.95 115.65 2c51 s ARG 83 Ca 0.24 -0.37 0.05 0.00 -0.52 0.00 0.00 55.73 55.13 2c51 s ARG 83 Cb 0.14 0.13 -0.03 0.00 0.52 0.00 0.00 34.95 35.71 2c51 s ARG 83 CO 0.14 -0.07 -0.16 -1.12 0.02 0.00 0.00 175.30 174.12 2c51 s SER 84 N -1.11 3.95 -0.13 0.23 0.01 -0.04 -4.92 113.70 111.68 2c51 s SER 84 Ca -0.12 -0.31 0.02 0.00 1.31 0.00 0.00 55.95 56.85 2c51 s SER 84 Cb -0.07 -0.74 0.01 0.00 0.21 0.00 0.00 66.02 65.43 2c51 s SER 84 CO 0.00 0.29 -0.19 -0.31 0.41 0.00 0.00 173.24 173.45 2c51 s TYR 85 N -0.85 2.40 -0.17 2.43 1.51 -1.26 -1.49 117.35 119.91 2c51 s TYR 85 Ca 0.14 -1.23 -0.06 0.00 -1.01 0.00 0.00 57.07 54.91 2c51 s TYR 85 Cb -0.11 -1.67 -0.04 0.00 -0.11 0.00 0.00 41.96 40.03 2c51 s TYR 85 CO 0.04 -0.60 0.04 -1.17 -1.11 0.00 0.00 175.55 172.75 2c51 s LEU 86 N 1.00 3.69 -0.21 -1.29 2.96 0.54 -4.99 118.68 120.38 2c51 s LEU 86 Ca -0.04 0.05 -0.01 0.00 -0.22 0.00 0.00 54.13 53.91 2c51 s LEU 86 Cb -0.15 -1.92 0.06 0.00 0.50 0.00 0.00 46.19 44.69 2c51 s LEU 86 CO -0.04 0.20 -0.01 0.21 -1.32 0.00 0.00 176.35 175.39 2c51 s ASN 87 N 0.21 3.33 -0.10 3.68 3.84 -1.26 -1.03 114.94 123.61 2c51 s ASN 87 Ca 0.03 -0.98 0.01 0.00 0.21 0.00 0.00 52.86 52.13 2c51 s ASN 87 Cb -0.13 -0.86 -0.02 0.00 -0.55 0.00 0.00 41.25 39.69 2c51 s ASN 87 CO 0.01 -0.27 -0.12 -0.04 -2.79 0.00 0.00 177.10 173.89 2c51 s MET 88 N 1.65 3.01 -0.12 0.43 -1.94 0.84 -5.01 119.30 118.16 2c51 s MET 88 Ca -0.03 -0.65 -0.00 0.00 -1.71 0.00 0.00 55.69 53.29 2c51 s MET 88 Cb -0.18 -2.57 0.03 0.00 2.01 0.00 0.00 34.83 34.12 2c51 s MET 88 CO -0.07 0.43 -0.08 -1.21 -0.01 0.00 0.00 175.02 174.07 2c51 s GLU 89 N -0.20 1.63 -0.25 2.03 2.02 -1.26 -0.73 118.70 121.95 2c51 s GLU 89 Ca 0.01 -0.32 -0.02 0.00 0.02 0.00 0.00 54.97 54.66 2c51 s GLU 89 Cb -0.13 -1.69 0.02 0.00 0.10 0.00 0.00 34.13 32.42 2c51 s GLU 89 CO 0.03 -0.27 -0.04 -1.17 0.02 0.00 0.00 175.26 173.82 2c51 s LEU 90 N 1.67 3.23 -0.24 1.80 2.96 -0.11 -4.98 118.68 123.01 2c51 s LEU 90 Ca 0.05 -0.81 -0.09 0.00 -0.22 0.00 0.00 54.13 53.05 2c51 s LEU 90 Cb -0.13 -1.69 -0.04 0.00 0.50 0.00 0.00 46.19 44.83 2c51 s LEU 90 CO -0.09 -0.12 0.13 -0.89 -1.32 0.00 0.00 176.35 174.06 2c51 s THR 91 N 1.36 5.01 -0.11 3.68 2.01 -1.26 -0.84 115.64 125.47 2c51 s THR 91 Ca 0.01 0.06 0.01 0.00 0.31 0.00 0.00 61.69 62.08 2c51 s THR 91 Cb -0.16 -3.34 0.02 0.00 0.01 0.00 0.00 72.50 69.03 2c51 s THR 91 CO -0.04 0.34 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.49 2c51 s ILE 92 N 1.25 1.29 0.52 1.82 1.01 -0.45 -4.99 121.20 121.65 2c51 s ILE 92 Ca 0.06 -0.48 -0.23 0.00 0.00 0.00 0.00 60.65 60.00 2c51 s ILE 92 Cb -0.14 -1.23 -0.06 0.00 0.01 0.00 0.00 42.46 41.04 2c51 s ILE 92 CO 0.05 0.41 1.38 -2.84 0.00 0.00 0.00 174.94 173.94 2c51 s PRO 93 N 1.34 3.29 0.14 2.79 0.02 -1.26 -1.43 135.00 139.89 2c51 s PRO 93 Ca -0.00 2.29 0.10 0.00 0.02 0.00 0.00 61.00 63.41 2c51 s PRO 93 Cb -0.14 -2.37 0.54 0.00 0.02 0.00 0.00 34.50 32.55 2c51 s PRO 93 CO -0.06 -1.09 1.31 0.44 -0.33 0.00 0.00 177.00 177.28 2c51 n ILE 94 N -0.79 1.54 0.57 2.83 -5.35 -0.30 -1.58 119.36 116.27 2c51 n ILE 94 Ca 0.09 0.59 0.13 0.00 -0.27 0.00 0.00 62.75 63.29 2c51 n ILE 94 Cb 0.44 -1.59 0.29 0.00 -1.74 0.00 0.00 39.64 37.05 2c51 n ILE 94 CO 0.00 0.00 0.00 -0.26 -1.76 0.00 0.00 176.55 174.53 2c51 h PHE 95 N 0.00 0.00 -2.50 4.28 -1.00 -1.89 -3.46 116.94 112.37 2c51 h PHE 95 Ca 0.00 0.00 -0.54 0.00 2.81 0.00 0.00 57.97 60.24 2c51 h PHE 95 Cb 0.01 0.00 0.05 0.00 3.61 0.00 0.00 35.95 39.62 2c51 h PHE 95 CO 0.00 0.00 1.06 0.00 -1.61 0.00 0.00 178.31 177.76 2c51 n ALA 96 N -1.83 2.24 -1.99 2.45 0.00 -0.62 -4.99 120.51 115.78 2c51 n ALA 96 Ca 0.04 0.35 -0.24 0.00 0.00 0.00 0.00 53.44 53.59 2c51 n ALA 96 Cb 0.44 -2.55 0.12 0.00 0.00 0.00 0.00 19.45 17.46 2c51 n ALA 96 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2c51 s THR 97 N 2.20 2.11 0.34 0.00 -4.23 -1.26 -4.86 115.64 109.93 2c51 s THR 97 Ca 0.80 -0.53 0.02 0.00 -1.18 0.00 0.00 61.69 60.80 2c51 s THR 97 Cb -0.51 -2.58 0.27 0.00 1.34 0.00 0.00 72.50 71.01 2c51 s THR 97 CO 0.37 0.00 1.98 0.78 -0.54 0.00 0.00 174.62 177.21 2c51 h ASN 98 N -0.65 0.79 -0.26 3.99 4.21 -1.99 -0.82 115.58 120.84 2c51 h ASN 98 Ca -0.37 -0.02 -0.06 0.00 1.21 0.00 0.00 56.30 57.06 2c51 h ASN 98 Cb 1.26 -0.19 -0.01 0.00 -1.12 0.00 0.00 38.32 38.27 2c51 h ASN 98 CO 0.40 0.56 -0.08 0.28 -1.29 0.00 0.00 177.43 177.29 2c51 h SER 99 N 0.92 0.53 -0.71 5.81 0.02 -1.99 -1.47 113.55 116.67 2c51 h SER 99 Ca 0.28 -0.38 0.06 0.00 -0.84 0.00 0.00 61.79 60.91 2c51 h SER 99 Cb -0.03 -0.14 -0.06 0.00 0.14 0.00 0.00 62.40 62.31 2c51 h SER 99 CO -0.07 0.79 0.40 0.44 -1.14 0.00 0.00 176.83 177.25 2c51 h ASP 100 N 0.26 0.60 0.29 3.07 3.32 -1.75 -1.78 116.42 120.44 2c51 h ASP 100 Ca 0.06 0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.07 2c51 h ASP 100 Cb 0.57 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 2c51 h ASP 100 CO 0.03 0.39 -0.33 0.00 -1.72 0.00 0.00 179.24 177.61 2c51 h GLU 102 N 0.06 0.45 -0.53 0.00 5.08 -0.43 -2.05 114.58 117.15 2c51 h GLU 102 Ca 0.01 -0.20 -0.10 0.00 -1.00 0.00 0.00 59.36 58.06 2c51 h GLU 102 Cb 0.61 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 2c51 h GLU 102 CO 0.04 0.74 -0.08 1.25 -1.00 0.00 0.00 179.01 179.97 2c51 h LEU 103 N 0.39 0.97 -0.94 1.33 5.85 -0.83 -2.03 115.31 120.04 2c51 h LEU 103 Ca 0.04 -0.30 -0.08 0.00 0.84 0.00 0.00 57.88 58.38 2c51 h LEU 103 Cb 0.79 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 2c51 h LEU 103 CO 0.06 1.07 -0.08 0.40 -0.34 0.00 0.00 178.44 179.55 2c51 h ILE 104 N 0.88 1.24 -0.48 4.05 2.04 -1.12 -1.46 117.51 122.66 2c51 h ILE 104 Ca 0.14 -1.07 -0.13 0.00 1.00 0.00 0.00 64.86 64.81 2c51 h ILE 104 Cb 0.62 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 2c51 h ILE 104 CO 0.04 0.36 -0.21 0.58 0.00 0.00 0.00 178.15 178.93 2c51 h VAL 105 N 0.62 1.27 -0.56 1.67 2.07 -1.13 -2.58 116.25 117.61 2c51 h VAL 105 Ca 0.11 -1.37 -0.05 0.00 0.82 0.00 0.00 66.70 66.21 2c51 h VAL 105 Cb 0.51 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 2c51 h VAL 105 CO 0.03 0.47 0.14 0.11 0.02 0.00 0.00 177.57 178.34 2c51 h LYS 106 N 0.83 0.87 -0.73 1.57 1.57 -1.00 -0.71 116.57 118.96 2c51 h LYS 106 Ca 0.11 -0.18 -0.04 0.00 -1.87 0.00 0.00 60.65 58.67 2c51 h LYS 106 Cb 0.79 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.93 2c51 h LYS 106 CO 0.07 0.78 0.30 0.00 -0.57 0.00 0.00 179.45 180.02 2c51 h ALA 107 N 1.31 1.14 -0.33 3.86 0.00 -1.09 0.25 119.26 124.41 2c51 h ALA 107 Ca 0.18 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 2c51 h ALA 107 Cb 0.30 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2c51 h ALA 107 CO -0.00 0.62 -0.37 0.52 0.00 0.00 0.00 179.25 180.02 2c51 h MET 108 N 1.06 0.76 -0.34 0.00 2.86 -1.02 -0.90 114.93 117.35 2c51 h MET 108 Ca 0.25 -0.38 -0.07 0.00 -2.06 0.00 0.00 59.70 57.43 2c51 h MET 108 Cb 0.19 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 2c51 h MET 108 CO -0.02 1.00 -0.08 1.96 1.06 0.00 0.00 176.91 180.83 2c51 h GLN 109 N 0.63 0.66 -0.83 1.72 4.20 -0.62 -2.97 115.11 117.91 2c51 h GLN 109 Ca 0.06 -0.25 -0.04 0.00 0.06 0.00 0.00 58.65 58.48 2c51 h GLN 109 Cb 0.92 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.62 2c51 h GLN 109 CO 0.08 0.82 0.36 0.78 -0.67 0.00 0.00 178.83 180.21 2c51 h GLY 110 N 0.45 1.30 0.53 3.46 0.00 -0.42 -2.12 103.07 106.27 2c51 h GLY 110 Ca 0.09 -0.68 0.08 0.00 0.00 0.00 0.00 47.33 46.82 2c51 h GLY 110 CO 0.03 0.64 0.36 -2.00 0.00 0.00 0.00 176.54 175.58 2c51 h LEU 111 N 1.19 0.49 -2.23 3.11 5.85 -1.05 -2.89 115.31 119.79 2c51 h LEU 111 Ca 0.28 0.05 0.00 0.00 0.84 0.00 0.00 57.88 59.05 2c51 h LEU 111 Cb 0.17 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.16 2c51 h LEU 111 CO -0.03 0.29 0.00 0.18 -0.34 0.00 0.00 178.44 178.54 2c51 n LEU 112 N -4.84 3.27 -4.75 2.25 4.77 -1.08 -4.45 117.00 112.18 2c51 n LEU 112 Ca 0.10 -1.54 -0.38 0.00 -0.03 0.00 0.00 56.01 54.16 2c51 n LEU 112 Cb 0.25 -0.34 0.03 0.00 -2.33 0.00 0.00 43.42 41.03 2c51 n LEU 112 CO 0.26 0.77 0.94 -0.75 -1.33 0.00 0.00 177.39 177.28 2c51 s LYS 113 N -1.32 3.22 0.28 3.23 2.20 -0.82 -4.82 119.74 121.71 2c51 s LYS 113 Ca 0.41 2.10 -0.30 0.00 -0.36 0.00 0.00 55.97 57.82 2c51 s LYS 113 Cb 0.22 -2.24 -0.13 0.00 -1.51 0.00 0.00 37.83 34.17 2c51 s LYS 113 CO 0.30 -1.09 1.41 -0.25 -0.36 0.00 0.00 175.35 175.36 2c51 n ASP 114 N -1.01 2.97 0.00 1.43 8.00 -1.26 -2.28 116.55 124.40 2c51 n ASP 114 Ca 0.10 1.17 0.00 0.00 0.71 0.00 0.00 54.79 56.77 2c51 n ASP 114 Cb 0.46 -1.48 0.00 0.00 -0.02 0.00 0.00 41.12 40.08 2c51 n ASP 114 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2c51 n GLY 115 N 1.69 3.09 3.81 0.44 0.00 -1.26 -5.04 105.19 107.93 2c51 n GLY 115 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 2c51 n GLY 115 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2c51 s ASN 116 N -1.18 5.81 0.09 1.61 0.01 -0.97 -4.89 114.94 115.43 2c51 s ASN 116 Ca 0.00 1.74 -0.19 0.00 -0.71 0.00 0.00 52.86 53.70 2c51 s ASN 116 Cb 0.00 -2.52 -0.05 0.00 0.41 0.00 0.00 41.25 39.09 2c51 s ASN 116 CO 0.00 -1.15 1.32 -0.65 -1.51 0.00 0.00 177.10 175.11 2c51 h PRO 117 N 0.24 -0.11 0.18 -0.60 0.11 -1.89 -2.45 132.00 127.47 2c51 h PRO 117 Ca -0.46 0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.67 2c51 h PRO 117 Cb 1.21 0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.31 2c51 h PRO 117 CO 0.58 -0.07 -0.42 0.82 -0.21 0.00 0.00 178.00 178.70 2c51 h ILE 118 N -0.12 0.16 0.00 4.15 1.08 -1.94 0.19 117.51 121.03 2c51 h ILE 118 Ca 0.07 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.52 2c51 h ILE 118 Cb 0.30 0.16 -0.00 0.00 -3.07 0.00 0.00 36.82 34.20 2c51 h ILE 118 CO -0.46 0.00 -0.11 1.55 -0.69 0.00 0.00 178.15 178.45 2c51 h PRO 119 N -0.69 0.00 -0.28 2.37 0.13 -1.77 -1.65 132.00 130.12 2c51 h PRO 119 Ca 0.01 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.99 2c51 h PRO 119 Cb 0.69 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.82 2c51 h PRO 119 CO -0.21 0.11 -0.45 0.77 -0.23 0.00 0.00 178.00 177.99 2c51 h SER 120 N 0.00 0.77 -0.07 1.44 0.02 -0.91 -1.48 113.55 113.32 2c51 h SER 120 Ca -0.00 -0.37 -0.01 0.00 -0.84 0.00 0.00 61.79 60.57 2c51 h SER 120 Cb 0.20 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.52 2c51 h SER 120 CO 0.01 1.10 0.00 0.00 -1.14 0.00 0.00 176.83 176.81 2c51 h ALA 121 N 0.92 0.10 -0.24 3.77 0.00 -0.35 -2.78 119.26 120.68 2c51 h ALA 121 Ca 0.04 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.80 2c51 h ALA 121 Cb 1.00 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 2c51 h ALA 121 CO 0.09 -0.24 0.12 0.82 0.00 0.00 0.00 179.25 180.05 2c51 h ILE 122 N -0.15 1.00 0.00 0.00 2.04 -1.27 -0.23 117.51 118.91 2c51 h ILE 122 Ca 0.02 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.79 2c51 h ILE 122 Cb 0.32 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 37.11 2c51 h ILE 122 CO 0.00 0.05 0.00 0.00 0.00 0.00 0.00 178.15 178.20 2c51 h ALA 123 N 1.12 1.00 -0.32 1.87 0.00 -1.27 -2.58 119.26 119.08 2c51 h ALA 123 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2c51 h ALA 123 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2c51 h ALA 123 CO -0.06 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.19 2c51 n ALA 124 N -1.90 2.79 -2.68 0.00 0.00 -0.95 -4.95 120.51 112.82 2c51 n ALA 124 Ca -0.00 -1.91 -0.19 0.00 0.00 0.00 0.00 53.44 51.34 2c51 n ALA 124 Cb 0.16 -0.66 0.00 0.00 0.00 0.00 0.00 19.45 18.96 2c51 n ALA 124 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2c51 n ASN 125 N -0.08 -5.04 -4.83 0.00 3.02 -0.97 -4.96 115.26 102.40 2c51 n ASN 125 Ca 0.19 -0.06 -0.30 0.00 -0.03 0.00 0.00 54.58 54.38 2c51 n ASN 125 Cb 0.76 -4.18 -0.04 0.00 -0.61 0.00 0.00 39.78 35.71 2c51 n ASN 125 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2c51 s SER 126 N -2.28 4.36 0.00 6.41 0.01 -0.14 -5.04 113.70 117.02 2c51 s SER 126 Ca 0.12 -1.47 0.00 0.00 1.31 0.00 0.00 55.95 55.91 2c51 s SER 126 Cb -0.06 0.49 0.00 0.00 0.21 0.00 0.00 66.02 66.66 2c51 s SER 126 CO 0.15 -0.98 0.00 0.61 0.41 0.00 0.00 173.24 173.43 2c51 n GLY 127 N -1.50 6.36 3.89 3.44 0.00 -1.26 -4.35 105.19 111.77 2c51 n GLY 127 Ca -0.11 -1.95 -0.34 0.00 0.00 0.00 0.00 46.02 43.61 2c51 n GLY 127 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2c51 s ILE 128 N 1.46 5.32 0.00 -0.61 -1.09 -1.26 -4.81 121.20 120.22 2c51 s ILE 128 Ca 0.00 0.13 0.00 0.00 -2.23 0.00 0.00 60.65 58.55 2c51 s ILE 128 Cb 0.00 -3.56 0.00 0.00 -1.58 0.00 0.00 42.46 37.32 2c51 s ILE 128 CO 0.00 0.36 0.00 0.00 -1.23 0.00 0.00 174.94 174.07