#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrn s GLN 3 N 0.00 0.25 0.12 5.31 0.74 -1.26 -4.61 119.66 120.21 2wrn s GLN 3 Ca 0.00 0.18 -0.31 0.00 0.05 0.00 0.00 55.36 55.28 2wrn s GLN 3 Cb 0.00 -0.93 -0.07 0.00 1.10 0.00 0.00 33.01 33.11 2wrn s GLN 3 CO 0.00 -0.75 1.26 0.71 -0.55 0.00 0.00 175.29 175.96 2wrn s TYR 4 N 2.38 3.37 0.13 1.67 1.51 -0.19 -4.81 117.35 121.41 2wrn s TYR 4 Ca 0.09 1.23 0.07 0.00 -1.01 0.00 0.00 57.07 57.45 2wrn s TYR 4 Cb -0.15 -3.51 -0.04 0.00 -0.11 0.00 0.00 41.96 38.15 2wrn s TYR 4 CO -0.18 -1.62 -0.17 -0.47 -1.11 0.00 0.00 175.55 172.00 2wrn s TYR 5 N 0.71 1.64 -0.30 2.71 6.14 -1.25 0.04 117.35 127.04 2wrn s TYR 5 Ca 0.59 -0.49 -0.14 0.00 0.64 0.00 0.00 57.07 57.67 2wrn s TYR 5 Cb -0.33 -0.85 0.18 0.00 0.42 0.00 0.00 41.96 41.37 2wrn s TYR 5 CO 0.32 0.23 1.04 0.20 0.64 0.00 0.00 175.55 177.98 2wrn s GLY 6 N -2.39 -0.23 0.39 8.97 0.00 -1.04 -3.77 107.32 109.25 2wrn s GLY 6 Ca 0.11 2.96 -0.06 0.00 0.00 0.00 0.00 44.72 47.72 2wrn s GLY 6 CO 0.05 3.53 0.29 2.41 0.00 0.00 0.00 173.10 179.38 2wrn n THR 7 N 5.17 0.00 0.00 0.90 -1.04 -1.26 -3.08 114.28 114.97 2wrn n THR 7 Ca -0.07 -0.08 0.00 0.00 -2.04 0.00 0.00 64.05 61.86 2wrn n THR 7 Cb 0.53 -0.73 0.00 0.00 -1.82 0.00 0.00 70.33 68.31 2wrn n THR 7 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2wrn n GLY 8 N -0.50 1.67 3.12 3.41 0.00 -1.19 -2.90 105.19 108.80 2wrn n GLY 8 Ca 0.04 0.41 -0.19 0.00 0.00 0.00 0.00 46.02 46.28 2wrn n GLY 8 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wrn s ARG 9 N 0.00 0.86 -0.33 1.61 0.52 -1.26 -1.45 118.95 118.89 2wrn s ARG 9 Ca 0.00 -0.71 0.16 0.00 -0.52 0.00 0.00 55.73 54.66 2wrn s ARG 9 Cb 0.00 -0.84 0.46 0.00 0.52 0.00 0.00 34.95 35.09 2wrn s ARG 9 CO 0.00 0.21 1.02 -2.13 0.02 0.00 0.00 175.30 174.42 2wrn n ARG 10 N 1.95 1.84 -0.79 3.54 0.00 -1.09 -4.45 116.66 117.66 2wrn n ARG 10 Ca -0.18 -3.60 0.00 0.00 -0.00 0.00 0.00 57.85 54.07 2wrn n ARG 10 Cb 0.55 -1.57 0.00 0.00 0.00 0.00 0.00 32.46 31.44 2wrn n ARG 10 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 2wrn n LYS 11 N -0.28 0.00 -0.03 -0.14 4.81 -1.26 -4.52 118.16 116.74 2wrn n LYS 11 Ca 0.17 0.37 0.00 0.00 -0.87 0.00 0.00 58.31 57.98 2wrn n LYS 11 Cb 0.79 -0.41 0.00 0.00 0.02 0.00 0.00 35.03 35.43 2wrn n LYS 11 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2wrn n GLU 12 N 0.70 0.00 -3.96 1.64 -0.58 -1.26 -4.59 120.64 112.59 2wrn n GLU 12 Ca 0.00 0.00 -0.35 0.00 -0.42 0.00 0.00 57.16 56.39 2wrn n GLU 12 Cb 0.00 -2.59 -0.11 0.00 -0.57 0.00 0.00 31.44 28.16 2wrn n GLU 12 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wrn s ALA 13 N -0.63 3.25 -0.10 0.62 0.00 -1.26 -2.39 121.76 121.26 2wrn s ALA 13 Ca 0.00 -0.92 0.03 0.00 0.00 0.00 0.00 51.96 51.08 2wrn s ALA 13 Cb 0.00 -1.94 -0.00 0.00 0.00 0.00 0.00 23.12 21.17 2wrn s ALA 13 CO 0.00 -0.10 -0.22 0.08 0.00 0.00 0.00 175.76 175.52 2wrn s VAL 14 N 0.89 2.23 -0.16 0.00 1.01 -1.21 -2.67 120.40 120.50 2wrn s VAL 14 Ca 0.03 -0.96 -0.02 0.00 0.00 0.00 0.00 61.98 61.03 2wrn s VAL 14 Cb -0.14 -1.86 0.05 0.00 0.00 0.00 0.00 36.38 34.42 2wrn s VAL 14 CO 0.02 0.55 0.00 0.00 0.00 0.00 0.00 175.10 175.68 2wrn s ALA 15 N 0.30 1.08 0.28 5.51 0.00 -0.53 -0.21 121.76 128.18 2wrn s ALA 15 Ca -0.16 -0.61 -0.25 0.00 0.00 0.00 0.00 51.96 50.93 2wrn s ALA 15 Cb -0.17 -1.07 -0.09 0.00 0.00 0.00 0.00 23.12 21.79 2wrn s ALA 15 CO 0.08 -0.90 0.87 1.03 0.00 0.00 0.00 175.76 176.84 2wrn s ARG 16 N 1.81 4.52 -0.03 0.00 0.52 -0.26 -3.14 118.95 122.38 2wrn s ARG 16 Ca 0.01 1.20 0.02 0.00 -0.52 0.00 0.00 55.73 56.44 2wrn s ARG 16 Cb -0.15 -2.90 0.01 0.00 0.52 0.00 0.00 34.95 32.42 2wrn s ARG 16 CO -0.07 0.36 -0.06 0.08 0.02 0.00 0.00 175.30 175.62 2wrn s VAL 17 N -1.51 0.60 0.03 3.52 1.01 -1.18 -1.32 120.40 121.55 2wrn s VAL 17 Ca 0.46 -0.24 0.04 0.00 0.00 0.00 0.00 61.98 62.24 2wrn s VAL 17 Cb -0.19 -0.56 -0.02 0.00 0.00 0.00 0.00 36.38 35.61 2wrn s VAL 17 CO 0.24 0.20 -0.12 -0.36 0.00 0.00 0.00 175.10 175.07 2wrn s PHE 18 N 0.34 1.01 -0.22 5.22 0.40 0.15 -2.49 117.98 122.39 2wrn s PHE 18 Ca -0.05 -0.32 -0.01 0.00 -0.60 0.00 0.00 56.93 55.95 2wrn s PHE 18 Cb -0.09 -0.61 0.06 0.00 0.51 0.00 0.00 43.02 42.89 2wrn s PHE 18 CO 0.00 0.00 -0.01 -0.51 0.70 0.00 0.00 175.22 175.41 2wrn s LEU 19 N -0.96 1.90 -0.39 -0.37 1.43 0.11 0.13 118.68 120.53 2wrn s LEU 19 Ca 0.00 -1.01 -0.09 0.00 -1.03 0.00 0.00 54.13 52.00 2wrn s LEU 19 Cb -0.07 -0.89 0.05 0.00 0.03 0.00 0.00 46.19 45.31 2wrn s LEU 19 CO 0.01 -0.27 0.21 -0.13 0.23 0.00 0.00 176.35 176.39 2wrn s ARG 20 N 1.62 2.67 -0.55 1.70 0.52 0.10 -1.02 118.95 124.00 2wrn s ARG 20 Ca -0.03 -1.28 -0.19 0.00 -0.52 0.00 0.00 55.73 53.70 2wrn s ARG 20 Cb -0.18 -3.69 -0.13 0.00 0.52 0.00 0.00 34.95 31.47 2wrn s ARG 20 CO -0.07 -0.81 1.55 -2.30 0.02 0.00 0.00 175.30 173.69 2wrn n PRO 21 N 4.92 0.00 -4.04 3.54 -0.02 -1.26 -1.70 135.00 136.44 2wrn n PRO 21 Ca -0.11 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.23 2wrn n PRO 21 Cb 0.44 -0.89 -0.03 0.00 -0.02 0.00 0.00 33.50 33.00 2wrn n PRO 21 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2wrn s GLY 22 N 5.07 1.27 0.00 -1.23 0.00 -0.88 -4.69 107.32 106.85 2wrn s GLY 22 Ca 0.79 -1.37 0.00 0.00 0.00 0.00 0.00 44.72 44.14 2wrn s GLY 22 CO 0.30 -0.88 0.11 1.16 0.00 0.00 0.00 173.10 173.80 2wrn n ASN 23 N -1.34 0.00 0.00 1.64 0.23 -1.26 0.41 115.26 114.94 2wrn n ASN 23 Ca -0.01 0.11 0.00 0.00 -0.53 0.00 0.00 54.58 54.16 2wrn n ASN 23 Cb 0.61 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.31 2wrn n ASN 23 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wrn n GLY 24 N -0.22 0.08 3.08 4.83 0.00 -1.25 0.02 105.19 111.72 2wrn n GLY 24 Ca 0.00 -0.04 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 2wrn n GLY 24 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2wrn n LYS 25 N -0.64 0.00 -4.01 1.61 2.85 -1.26 -4.63 118.16 112.08 2wrn n LYS 25 Ca 0.00 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 57.17 2wrn n LYS 25 Cb 0.00 -0.99 -0.11 0.00 -0.65 0.00 0.00 35.03 33.28 2wrn n LYS 25 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 2wrn s VAL 26 N -1.99 0.19 -0.11 0.58 1.01 -1.26 -3.55 120.40 115.27 2wrn s VAL 26 Ca 0.46 -1.04 0.02 0.00 0.00 0.00 0.00 61.98 61.42 2wrn s VAL 26 Cb -0.30 -0.46 0.01 0.00 0.00 0.00 0.00 36.38 35.63 2wrn s VAL 26 CO 0.76 -0.54 -0.16 -0.89 0.00 0.00 0.00 175.10 174.27 2wrn s THR 27 N -1.73 1.53 -0.19 3.92 2.01 -0.72 -2.57 115.64 117.89 2wrn s THR 27 Ca -0.12 -0.66 -0.00 0.00 0.31 0.00 0.00 61.69 61.21 2wrn s THR 27 Cb -0.08 -1.39 0.01 0.00 0.01 0.00 0.00 72.50 71.05 2wrn s THR 27 CO -0.02 0.45 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.51 2wrn s VAL 28 N 0.96 2.40 -0.76 3.82 1.01 0.39 0.34 120.40 128.56 2wrn s VAL 28 Ca -0.07 -0.83 -0.07 0.00 0.00 0.00 0.00 61.98 61.02 2wrn s VAL 28 Cb -0.15 -2.03 0.01 0.00 0.00 0.00 0.00 36.38 34.21 2wrn s VAL 28 CO -0.01 0.51 0.61 0.59 0.00 0.00 0.00 175.10 176.80 2wrn n ASN 29 N 4.62 -5.02 -2.18 3.32 4.13 0.14 0.12 115.26 120.40 2wrn n ASN 29 Ca -0.20 -0.81 -0.02 0.00 1.68 0.00 0.00 54.58 55.22 2wrn n ASN 29 Cb 0.50 -1.74 -0.00 0.00 -1.54 0.00 0.00 39.78 37.00 2wrn n ASN 29 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2wrn n GLY 30 N -1.40 -0.35 2.89 7.41 0.00 -1.26 -4.88 105.19 107.60 2wrn n GLY 30 Ca -0.28 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.62 2wrn n GLY 30 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2wrn s GLN 31 N -4.40 0.09 -0.04 1.61 0.74 0.12 -5.11 119.66 112.67 2wrn s GLN 31 Ca 0.00 -0.09 -0.30 0.00 0.05 0.00 0.00 55.36 55.02 2wrn s GLN 31 Cb 0.00 -0.05 -0.05 0.00 1.10 0.00 0.00 33.01 34.01 2wrn s GLN 31 CO 0.00 0.01 1.48 0.34 -0.55 0.00 0.00 175.29 176.57 2wrn s ASP 32 N -0.17 6.78 0.00 6.67 -1.08 -1.26 0.15 116.67 127.76 2wrn s ASP 32 Ca -0.01 2.11 0.00 0.00 -0.52 0.00 0.00 52.55 54.13 2wrn s ASP 32 Cb -0.01 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 38.90 2wrn s ASP 32 CO -0.00 -0.81 0.00 0.33 0.52 0.00 0.00 175.17 175.21 2wrn n PHE 33 N 6.21 0.00 0.12 -5.34 7.35 -1.06 0.45 117.46 125.19 2wrn n PHE 33 Ca 0.15 0.00 0.14 0.00 -0.76 0.00 0.00 57.45 56.98 2wrn n PHE 33 Cb 0.43 0.00 0.32 0.00 0.35 0.00 0.00 39.48 40.58 2wrn n PHE 33 CO 0.00 0.00 0.00 -0.91 -0.76 0.00 0.00 176.76 175.09 2wrn h ASN 34 N 0.00 0.00 0.17 -2.13 4.21 -1.89 0.91 115.58 116.84 2wrn h ASN 34 Ca 0.00 0.00 -0.36 0.00 1.21 0.00 0.00 56.30 57.15 2wrn h ASN 34 Cb 0.00 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.19 2wrn h ASN 34 CO 0.00 0.00 -1.92 -0.08 -1.29 0.00 0.00 177.43 174.14 2wrn h GLU 35 N 0.00 0.27 0.00 0.81 4.81 -0.38 -1.40 114.58 118.70 2wrn h GLU 35 Ca 0.19 -0.47 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 2wrn h GLU 35 Cb 2.08 0.17 0.00 0.00 0.63 0.00 0.00 28.75 31.64 2wrn h GLU 35 CO -0.00 1.19 0.00 0.98 -0.73 0.00 0.00 179.01 180.45 2wrn n TYR 36 N -3.47 0.00 -2.55 0.92 9.36 0.29 -3.28 117.16 118.43 2wrn n TYR 36 Ca -0.29 0.00 0.01 0.00 3.32 0.00 0.00 57.90 60.93 2wrn n TYR 36 Cb 1.05 -0.14 0.03 0.00 -0.63 0.00 0.00 39.34 39.65 2wrn n TYR 36 CO 0.00 0.00 0.00 1.19 0.22 0.00 0.00 176.86 178.27 2wrn n PHE 37 N -1.14 0.19 -2.37 2.98 0.99 0.30 -5.04 117.46 113.36 2wrn n PHE 37 Ca 0.18 -1.12 -0.43 0.00 -0.00 0.00 0.00 57.45 56.08 2wrn n PHE 37 Cb 0.17 0.09 -0.02 0.00 -1.00 0.00 0.00 39.48 38.71 2wrn n PHE 37 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.76 175.62 2wrn s GLN 38 N -1.16 3.63 0.00 -1.08 0.74 -0.53 -2.78 119.66 118.48 2wrn s GLN 38 Ca 0.25 0.97 0.00 0.00 0.05 0.00 0.00 55.36 56.62 2wrn s GLN 38 Cb 0.32 -4.00 0.00 0.00 1.10 0.00 0.00 33.01 30.43 2wrn s GLN 38 CO -0.10 -1.49 0.00 0.41 -0.55 0.00 0.00 175.29 173.56 2wrn n GLY 39 N 4.95 1.34 3.39 2.59 0.00 -1.26 -5.05 105.19 111.15 2wrn n GLY 39 Ca 0.16 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.73 2wrn n GLY 39 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wrn s LEU 40 N 0.00 5.37 -0.63 0.99 1.43 -1.12 -4.94 118.68 119.78 2wrn s LEU 40 Ca 0.00 -1.65 -0.06 0.00 -1.03 0.00 0.00 54.13 51.39 2wrn s LEU 40 Cb 0.00 -2.32 -0.13 0.00 0.03 0.00 0.00 46.19 43.77 2wrn s LEU 40 CO 0.00 -1.08 2.58 0.52 0.23 0.00 0.00 176.35 178.60 2wrn n VAL 41 N 5.39 2.68 0.00 -1.59 0.31 -1.26 -2.51 118.33 121.35 2wrn n VAL 41 Ca 0.00 -1.50 0.00 0.00 -0.01 0.00 0.00 64.34 62.83 2wrn n VAL 41 Cb 0.45 -2.10 0.00 0.00 -0.91 0.00 0.00 33.84 31.28 2wrn n VAL 41 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2wrn n ARG 42 N 3.35 0.00 -0.24 5.55 0.63 -1.26 -4.91 116.66 119.78 2wrn n ARG 42 Ca 0.45 0.00 -0.06 0.00 -0.92 0.00 0.00 57.85 57.32 2wrn n ARG 42 Cb 0.40 -0.03 0.04 0.00 0.45 0.00 0.00 32.46 33.32 2wrn n ARG 42 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wrn h ALA 43 N 0.00 0.85 0.00 5.13 0.00 -1.85 -1.64 119.26 121.75 2wrn h ALA 43 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2wrn h ALA 43 Cb 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.53 2wrn h ALA 43 CO 0.00 0.38 0.00 1.33 0.00 0.00 0.00 179.25 180.96 2wrn n VAL 44 N -4.51 0.00 -0.10 0.00 0.24 -1.26 0.09 118.33 112.79 2wrn n VAL 44 Ca 0.05 0.00 -0.24 0.00 -2.04 0.00 0.00 64.34 62.11 2wrn n VAL 44 Cb 0.10 -0.89 -0.12 0.00 -1.47 0.00 0.00 33.84 31.46 2wrn n VAL 44 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wrn n ALA 45 N -0.65 1.02 -0.08 2.33 0.00 -0.62 -4.63 120.51 117.87 2wrn n ALA 45 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.66 2wrn n ALA 45 Cb 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 19.45 19.14 2wrn n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wrn n ALA 46 N -3.58 0.78 -0.73 0.00 0.00 0.11 0.53 120.51 117.63 2wrn n ALA 46 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.03 2wrn n ALA 46 Cb 0.85 -1.90 0.00 0.00 0.00 0.00 0.00 19.45 18.40 2wrn n ALA 46 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wrn n LEU 47 N 4.00 0.00 -0.26 0.00 4.32 -1.26 -4.57 117.00 119.23 2wrn n LEU 47 Ca 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 56.01 56.04 2wrn n LEU 47 Cb 0.00 0.00 0.15 0.00 -1.62 0.00 0.00 43.42 41.95 2wrn n LEU 47 CO 0.34 0.00 0.82 -0.08 -1.22 0.00 0.00 177.39 177.25 2wrn h GLU 48 N 0.00 0.09 -0.77 3.23 4.57 -0.22 -1.22 114.58 120.27 2wrn h GLU 48 Ca 0.00 -0.01 0.17 0.00 -1.18 0.00 0.00 59.36 58.34 2wrn h GLU 48 Cb 0.00 -0.02 -0.14 0.00 -0.16 0.00 0.00 28.75 28.43 2wrn h GLU 48 CO 0.00 0.06 -0.09 -1.00 -1.18 0.00 0.00 179.01 176.80 2wrn h PRO 49 N 0.10 0.04 0.00 0.92 0.13 -1.87 1.79 132.00 133.11 2wrn h PRO 49 Ca 0.41 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.54 2wrn h PRO 49 Cb 0.72 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.84 2wrn h PRO 49 CO -0.67 0.03 0.00 1.28 -0.23 0.00 0.00 178.00 178.41 2wrn n LEU 50 N -5.43 0.00 -1.06 1.56 4.77 -0.46 -1.56 117.00 114.83 2wrn n LEU 50 Ca 0.13 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.18 2wrn n LEU 50 Cb 0.45 0.00 0.26 0.00 -2.33 0.00 0.00 43.42 41.79 2wrn n LEU 50 CO 0.01 0.00 0.72 0.54 -1.33 0.00 0.00 177.39 177.33 2wrn n ARG 51 N -1.00 3.17 -0.08 3.23 1.74 0.61 -1.99 116.66 122.35 2wrn n ARG 51 Ca 0.02 -2.56 -0.14 0.00 -0.77 0.00 0.00 57.85 54.40 2wrn n ARG 51 Cb 0.01 -1.64 -0.07 0.00 -1.02 0.00 0.00 32.46 29.75 2wrn n ARG 51 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wrn n ALA 52 N 0.52 1.80 1.68 7.54 0.00 -0.60 -4.29 120.51 127.16 2wrn n ALA 52 Ca 0.19 -0.66 0.08 0.00 0.00 0.00 0.00 53.44 53.06 2wrn n ALA 52 Cb 0.71 0.21 0.41 0.00 0.00 0.00 0.00 19.45 20.78 2wrn n ALA 52 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2wrn n VAL 53 N -3.33 0.10 -3.72 0.00 0.24 -1.26 -4.87 118.33 105.49 2wrn n VAL 53 Ca -0.30 -0.14 -0.28 0.00 -2.04 0.00 0.00 64.34 61.58 2wrn n VAL 53 Cb 0.76 -0.01 -0.01 0.00 -1.47 0.00 0.00 33.84 33.11 2wrn n VAL 53 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2wrn n ASP 54 N -0.32 -3.77 -1.70 -1.34 8.00 -1.24 -4.83 116.55 111.35 2wrn n ASP 54 Ca 0.13 -0.64 0.08 0.00 0.71 0.00 0.00 54.79 55.07 2wrn n ASP 54 Cb 0.16 -3.09 0.37 0.00 -0.02 0.00 0.00 41.12 38.53 2wrn n ASP 54 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wrn n ALA 55 N -3.97 3.47 0.00 2.24 0.00 -0.86 -4.43 120.51 116.97 2wrn n ALA 55 Ca 0.03 -1.68 0.00 0.00 0.00 0.00 0.00 53.44 51.79 2wrn n ALA 55 Cb 0.52 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.89 2wrn n ALA 55 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2wrn n LEU 56 N 0.84 0.00 -3.75 0.00 0.00 -0.84 -3.64 117.00 109.61 2wrn n LEU 56 Ca 0.26 0.35 -0.29 0.00 0.00 0.00 0.00 56.01 56.32 2wrn n LEU 56 Cb 1.02 -0.35 -0.13 0.00 0.00 0.00 0.00 43.42 43.96 2wrn n LEU 56 CO 0.27 -0.35 -0.22 -0.83 0.00 0.00 0.00 177.39 176.26 2wrn s GLY 57 N -2.68 1.89 0.00 -3.96 0.00 -1.26 -4.53 107.32 96.78 2wrn s GLY 57 Ca 0.00 -2.81 0.00 0.00 0.00 0.00 0.00 44.72 41.91 2wrn s GLY 57 CO 0.00 1.44 0.00 1.57 0.00 0.00 0.00 173.10 176.11 2wrn n HIS 58 N 3.31 0.00 -3.67 1.90 -0.00 0.10 -4.98 115.22 111.89 2wrn n HIS 58 Ca 0.10 0.00 -0.21 0.00 -0.00 0.00 0.00 57.72 57.61 2wrn n HIS 58 Cb 0.35 0.00 -0.18 0.00 -0.00 0.00 0.00 29.99 30.16 2wrn n HIS 58 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 2wrn s PHE 59 N 0.00 0.09 -0.22 1.57 0.40 1.37 -2.08 117.98 119.12 2wrn s PHE 59 Ca 0.00 0.19 -0.12 0.00 -0.60 0.00 0.00 56.93 56.40 2wrn s PHE 59 Cb 0.00 -0.51 -0.05 0.00 0.51 0.00 0.00 43.02 42.97 2wrn s PHE 59 CO 0.00 -0.23 0.21 -0.51 0.70 0.00 0.00 175.22 175.40 2wrn s ASP 60 N 2.16 6.23 -0.09 1.36 -0.00 -0.69 -3.93 116.67 121.71 2wrn s ASP 60 Ca 0.05 0.25 -0.00 0.00 -0.00 0.00 0.00 52.55 52.84 2wrn s ASP 60 Cb -0.12 -2.13 -0.03 0.00 -0.00 0.00 0.00 42.92 40.63 2wrn s ASP 60 CO -0.04 0.06 -0.07 0.00 -0.00 0.00 0.00 175.17 175.12 2wrn s ALA 61 N 0.91 2.93 -0.34 5.23 0.00 -1.23 0.02 121.76 129.28 2wrn s ALA 61 Ca 0.11 -0.88 -0.02 0.00 0.00 0.00 0.00 51.96 51.17 2wrn s ALA 61 Cb -0.13 -1.29 0.07 0.00 0.00 0.00 0.00 23.12 21.77 2wrn s ALA 61 CO 0.04 0.45 0.07 -0.47 0.00 0.00 0.00 175.76 175.85 2wrn s TYR 62 N -0.40 3.38 -0.07 0.00 5.04 0.12 -1.75 117.35 123.67 2wrn s TYR 62 Ca 0.06 -2.03 0.04 0.00 -2.44 0.00 0.00 57.07 52.70 2wrn s TYR 62 Cb -0.12 -2.49 -0.02 0.00 0.35 0.00 0.00 41.96 39.68 2wrn s TYR 62 CO 0.02 -0.85 -0.18 0.42 -1.34 0.00 0.00 175.55 173.62 2wrn s ILE 63 N 1.22 2.65 -0.25 3.14 1.01 0.15 -0.68 121.20 128.45 2wrn s ILE 63 Ca -0.00 -0.85 -0.02 0.00 0.00 0.00 0.00 60.65 59.77 2wrn s ILE 63 Cb -0.21 -2.02 0.08 0.00 0.01 0.00 0.00 42.46 40.32 2wrn s ILE 63 CO -0.02 0.57 0.07 -0.89 0.00 0.00 0.00 174.94 174.67 2wrn s THR 64 N -0.32 0.54 0.41 2.92 2.01 -0.43 0.26 115.64 121.02 2wrn s THR 64 Ca 0.02 -0.87 0.02 0.00 0.31 0.00 0.00 61.69 61.16 2wrn s THR 64 Cb -0.13 -1.24 -0.01 0.00 0.01 0.00 0.00 72.50 71.14 2wrn s THR 64 CO 0.02 -0.46 0.60 0.54 -0.69 0.00 0.00 174.62 174.64 2wrn s VAL 65 N 1.82 4.19 -0.31 3.82 0.11 -1.26 -1.10 120.40 127.67 2wrn s VAL 65 Ca 0.04 -0.62 -0.04 0.00 -2.93 0.00 0.00 61.98 58.43 2wrn s VAL 65 Cb -0.17 -3.52 0.19 0.00 -1.53 0.00 0.00 36.38 31.35 2wrn s VAL 65 CO -0.19 -0.32 0.88 -0.60 -3.33 0.00 0.00 175.10 171.54 2wrn s ARG 66 N -4.42 0.33 0.00 1.54 3.52 0.70 -4.95 118.95 115.66 2wrn s ARG 66 Ca 0.46 0.18 0.00 0.00 -0.13 0.00 0.00 55.73 56.24 2wrn s ARG 66 Cb -0.10 0.11 0.00 0.00 -1.56 0.00 0.00 34.95 33.40 2wrn s ARG 66 CO 0.36 -0.56 0.00 0.41 -0.81 0.00 0.00 175.30 174.69 2wrn n GLY 67 N 4.90 3.30 1.27 8.12 0.00 -1.26 -3.35 105.19 118.16 2wrn n GLY 67 Ca 0.08 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.24 2wrn n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wrn n GLY 68 N -0.94 -2.24 3.90 -0.02 0.00 -1.00 -3.89 105.19 100.99 2wrn n GLY 68 Ca 0.00 -1.52 -0.29 0.00 0.00 0.00 0.00 46.02 44.22 2wrn n GLY 68 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wrn s GLY 69 N -1.85 1.82 0.29 -0.02 0.00 -1.26 -4.88 107.32 101.42 2wrn s GLY 69 Ca 0.00 -0.47 -0.03 0.00 0.00 0.00 0.00 44.72 44.22 2wrn s GLY 69 CO 0.00 -0.34 1.55 1.17 0.00 0.00 0.00 173.10 175.48 2wrn n LYS 70 N -1.20 -0.08 -0.07 2.90 3.00 -1.26 -1.15 118.16 120.29 2wrn n LYS 70 Ca -0.01 1.51 -0.11 0.00 -0.00 0.00 0.00 58.31 59.71 2wrn n LYS 70 Cb 0.54 -2.33 0.02 0.00 0.00 0.00 0.00 35.03 33.26 2wrn n LYS 70 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2wrn h SER 71 N 0.00 0.86 -0.24 3.14 0.87 -2.00 -3.13 113.55 113.04 2wrn h SER 71 Ca 0.54 -0.40 -0.13 0.00 -1.23 0.00 0.00 61.79 60.57 2wrn h SER 71 Cb 0.98 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.69 2wrn h SER 71 CO -0.98 1.16 -0.29 1.23 -0.53 0.00 0.00 176.83 177.42 2wrn h GLY 72 N 0.87 0.81 -0.12 5.77 0.00 -1.47 -1.87 103.07 107.06 2wrn h GLY 72 Ca 0.05 -0.73 0.12 0.00 0.00 0.00 0.00 47.33 46.76 2wrn h GLY 72 CO 0.09 0.67 -0.08 1.46 0.00 0.00 0.00 176.54 178.69 2wrn h GLN 73 N 0.63 0.05 -0.18 4.80 4.20 -1.09 -0.63 115.11 122.90 2wrn h GLN 73 Ca 0.07 -0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.74 2wrn h GLN 73 Cb 0.81 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.58 2wrn h GLN 73 CO 0.07 0.03 -0.04 0.82 -0.67 0.00 0.00 178.83 179.04 2wrn h ILE 74 N 0.05 1.28 0.00 2.54 2.04 -1.48 -0.23 117.51 121.71 2wrn h ILE 74 Ca 0.30 -0.99 0.00 0.00 1.00 0.00 0.00 64.86 65.17 2wrn h ILE 74 Cb 0.48 1.58 0.00 0.00 -0.74 0.00 0.00 36.82 38.13 2wrn h ILE 74 CO -0.57 0.30 0.07 -0.78 0.00 0.00 0.00 178.15 177.17 2wrn h ASP 75 N 0.05 0.00 0.00 1.72 -0.00 -0.60 -1.47 116.42 116.12 2wrn h ASP 75 Ca 0.05 0.00 -0.03 0.00 -0.00 0.00 0.00 57.03 57.04 2wrn h ASP 75 Cb 0.47 0.00 -0.00 0.00 -0.00 0.00 0.00 39.33 39.79 2wrn h ASP 75 CO 0.02 0.00 -0.32 0.00 -0.00 0.00 0.00 179.24 178.94 2wrn h ALA 76 N 1.86 0.04 -1.11 -0.78 0.00 -0.67 -3.33 119.26 115.27 2wrn h ALA 76 Ca 0.00 -0.40 0.39 0.00 0.00 0.00 0.00 54.91 54.90 2wrn h ALA 76 Cb 0.14 0.25 -0.15 0.00 0.00 0.00 0.00 17.79 18.03 2wrn h ALA 76 CO 0.00 0.25 0.65 0.82 0.00 0.00 0.00 179.25 180.97 2wrn h ILE 77 N -1.00 0.14 -0.46 0.00 2.04 -0.28 2.48 117.51 120.42 2wrn h ILE 77 Ca -0.05 -0.05 0.13 0.00 1.00 0.00 0.00 64.86 65.90 2wrn h ILE 77 Cb 0.50 -0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.55 2wrn h ILE 77 CO -0.03 0.02 0.39 0.50 0.00 0.00 0.00 178.15 179.04 2wrn h LYS 78 N 0.13 0.00 0.09 2.37 3.64 -1.40 0.11 116.57 121.51 2wrn h LYS 78 Ca 0.80 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 59.85 2wrn h LYS 78 Cb 2.17 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.97 2wrn h LYS 78 CO -0.60 0.00 -1.78 1.25 -2.27 0.00 0.00 179.45 176.05 2wrn h LEU 79 N 0.00 0.30 0.12 5.20 7.12 0.41 -3.32 115.31 125.14 2wrn h LEU 79 Ca 0.22 -0.57 0.01 0.00 0.13 0.00 0.00 57.88 57.67 2wrn h LEU 79 Cb 1.00 -0.10 -0.03 0.00 -0.53 0.00 0.00 40.66 41.01 2wrn h LEU 79 CO -0.00 1.50 -0.20 1.23 -0.13 0.00 0.00 178.44 180.84 2wrn h GLY 80 N 1.94 -0.38 1.01 3.75 0.00 -0.17 0.46 103.07 109.69 2wrn h GLY 80 Ca -0.33 0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.23 2wrn h GLY 80 CO 0.11 -0.19 0.00 1.39 0.00 0.00 0.00 176.54 177.85 2wrn n ILE 81 N -5.33 0.05 -0.06 2.60 2.08 0.09 0.78 119.36 119.57 2wrn n ILE 81 Ca -0.07 0.01 -0.12 0.00 0.56 0.00 0.00 62.75 63.14 2wrn n ILE 81 Cb 0.24 -1.01 -0.04 0.00 -0.75 0.00 0.00 39.64 38.08 2wrn n ILE 81 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2wrn n ALA 82 N -1.01 1.99 0.34 -1.39 0.00 0.11 -4.45 120.51 116.10 2wrn n ALA 82 Ca 0.00 -0.53 0.15 0.00 0.00 0.00 0.00 53.44 53.05 2wrn n ALA 82 Cb 0.00 0.25 0.60 0.00 0.00 0.00 0.00 19.45 20.30 2wrn n ALA 82 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2wrn h ARG 83 N -0.53 0.00 -0.16 0.00 2.43 0.21 -2.76 114.38 113.57 2wrn h ARG 83 Ca -0.24 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.93 2wrn h ARG 83 Cb 1.05 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.60 2wrn h ARG 83 CO -0.15 0.00 0.00 0.00 -1.51 0.00 0.00 179.97 178.31 2wrn n ALA 84 N -1.91 2.50 -0.23 2.80 0.00 0.23 -3.81 120.51 120.08 2wrn n ALA 84 Ca 0.01 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.10 2wrn n ALA 84 Cb 0.25 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.64 2wrn n ALA 84 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2wrn n LEU 85 N 0.01 0.00 0.22 0.00 -0.00 -1.06 -3.85 117.00 112.33 2wrn n LEU 85 Ca 0.10 0.00 0.09 0.00 -0.00 0.00 0.00 56.01 56.20 2wrn n LEU 85 Cb 0.19 0.00 0.50 0.00 -0.00 0.00 0.00 43.42 44.10 2wrn n LEU 85 CO 0.07 0.00 0.81 1.62 -0.00 0.00 0.00 177.39 179.90 2wrn h VAL 86 N 0.20 0.66 0.12 1.47 3.04 -1.62 -3.19 116.25 116.92 2wrn h VAL 86 Ca 0.00 -1.07 -0.01 0.00 -1.01 0.00 0.00 66.70 64.62 2wrn h VAL 86 Cb 0.10 1.69 0.00 0.00 -2.01 0.00 0.00 31.29 31.07 2wrn h VAL 86 CO 0.00 0.23 -0.06 -0.61 -1.01 0.00 0.00 177.57 176.13 2wrn h GLN 87 N 0.00 -0.15 -1.67 4.17 4.15 -1.84 0.18 115.11 119.94 2wrn h GLN 87 Ca -0.00 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.43 2wrn h GLN 87 Cb 0.67 0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.40 2wrn h GLN 87 CO 0.03 -0.10 0.00 0.66 -1.93 0.00 0.00 178.83 177.49 2wrn n TYR 88 N -2.83 0.00 0.00 3.99 4.02 -1.24 -3.27 117.16 117.82 2wrn n TYR 88 Ca -0.02 -0.47 0.00 0.00 -0.01 0.00 0.00 57.90 57.40 2wrn n TYR 88 Cb 0.06 -0.30 0.00 0.00 -0.02 0.00 0.00 39.34 39.08 2wrn n TYR 88 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2wrn n ASN 89 N 1.17 0.00 -0.13 7.72 3.02 -1.21 -5.07 115.26 120.77 2wrn n ASN 89 Ca 0.00 0.00 -0.05 0.00 -0.03 0.00 0.00 54.58 54.50 2wrn n ASN 89 Cb 0.32 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.51 2wrn n ASN 89 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 2wrn h PRO 90 N 0.00 -0.05 -0.43 3.52 0.13 -0.93 0.33 132.00 134.57 2wrn h PRO 90 Ca 0.00 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 65.26 2wrn h PRO 90 Cb 0.00 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.12 2wrn h PRO 90 CO 0.00 -0.03 0.81 -0.44 -0.23 0.00 0.00 178.00 178.11 2wrn h ASP 91 N -0.05 0.00 -0.64 1.44 3.32 -1.93 -3.36 116.42 115.19 2wrn h ASP 91 Ca 0.21 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.12 2wrn h ASP 91 Cb 0.36 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.91 2wrn h ASP 91 CO -0.46 0.00 0.52 -1.22 -1.72 0.00 0.00 179.24 176.35 2wrn n TYR 92 N -3.09 1.18 0.00 4.55 4.02 0.10 -3.79 117.16 120.13 2wrn n TYR 92 Ca 0.09 0.02 0.00 0.00 -0.01 0.00 0.00 57.90 58.00 2wrn n TYR 92 Cb 0.96 -2.55 0.00 0.00 -0.02 0.00 0.00 39.34 37.73 2wrn n TYR 92 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 2wrn n ARG 93 N 8.74 0.00 -1.72 -0.72 3.00 -1.26 -4.72 116.66 119.98 2wrn n ARG 93 Ca 0.46 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.88 2wrn n ARG 93 Cb 0.44 -0.24 -0.00 0.00 0.00 0.00 0.00 32.46 32.66 2wrn n ARG 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2wrn n ALA 94 N -0.68 5.27 0.00 5.13 0.00 -1.25 0.81 120.51 129.79 2wrn n ALA 94 Ca 0.00 -3.83 0.00 0.00 0.00 0.00 0.00 53.44 49.61 2wrn n ALA 94 Cb 0.00 -3.55 0.00 0.00 0.00 0.00 0.00 19.45 15.90 2wrn n ALA 94 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2wrn n LYS 95 N 6.29 0.00 -0.06 0.00 -0.00 -1.26 -4.95 118.16 118.18 2wrn n LYS 95 Ca 0.52 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.70 2wrn n LYS 95 Cb 0.39 0.00 -0.12 0.00 -0.00 0.00 0.00 35.03 35.31 2wrn n LYS 95 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 2wrn h LEU 96 N 0.00 -0.00 -0.20 -5.58 5.85 -1.57 -3.32 115.31 110.49 2wrn h LEU 96 Ca 0.00 -0.88 -0.06 0.00 0.84 0.00 0.00 57.88 57.77 2wrn h LEU 96 Cb 0.00 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 2wrn h LEU 96 CO 0.00 0.91 -0.13 0.50 -0.34 0.00 0.00 178.44 179.39 2wrn h LYS 97 N -0.96 0.43 0.00 1.25 1.63 0.09 -3.26 116.57 115.75 2wrn h LYS 97 Ca -0.00 -0.20 0.00 0.00 -0.85 0.00 0.00 60.65 59.60 2wrn h LYS 97 Cb 0.89 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.51 2wrn h LYS 97 CO 0.00 0.75 0.00 -2.30 -3.45 0.00 0.00 179.45 174.45 2wrn n PRO 98 N -4.53 0.00 -1.76 1.90 -0.02 -1.25 -3.81 135.00 125.53 2wrn n PRO 98 Ca -0.05 0.39 -0.42 0.00 -2.02 0.00 0.00 63.50 61.40 2wrn n PRO 98 Cb 0.35 -0.94 -0.02 0.00 -0.02 0.00 0.00 33.50 32.86 2wrn n PRO 98 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2wrn s LEU 99 N -1.66 4.36 0.00 2.45 2.01 -1.25 -4.73 118.68 119.85 2wrn s LEU 99 Ca 0.00 2.91 0.00 0.00 0.01 0.00 0.00 54.13 57.05 2wrn s LEU 99 Cb 0.00 -3.62 0.00 0.00 0.01 0.00 0.00 46.19 42.58 2wrn s LEU 99 CO 0.00 -0.94 0.10 0.61 1.01 0.00 0.00 176.35 177.13 2wrn n GLY 100 N 3.00 0.30 0.00 -3.19 0.00 -1.25 -4.21 105.19 99.84 2wrn n GLY 100 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2wrn n GLY 100 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2wrn n PHE 101 N 0.43 0.00 -0.07 1.61 3.01 -1.23 -0.51 117.46 120.70 2wrn n PHE 101 Ca 0.00 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.37 2wrn n PHE 101 Cb 0.05 -0.11 -0.10 0.00 -0.01 0.00 0.00 39.48 39.31 2wrn n PHE 101 CO 0.00 0.00 0.00 -0.11 1.01 0.00 0.00 176.76 177.66 2wrn n LEU 102 N -0.97 0.89 -4.77 4.37 0.00 -1.25 -4.65 117.00 110.62 2wrn n LEU 102 Ca 0.00 -0.03 -0.40 0.00 0.00 0.00 0.00 56.01 55.58 2wrn n LEU 102 Cb 0.14 0.06 -0.03 0.00 0.00 0.00 0.00 43.42 43.59 2wrn n LEU 102 CO 0.00 0.48 0.88 -0.89 0.00 0.00 0.00 177.39 177.86 2wrn s THR 103 N -2.34 3.08 1.14 1.96 2.01 0.34 -4.93 115.64 116.90 2wrn s THR 103 Ca -0.12 1.05 -0.19 0.00 0.31 0.00 0.00 61.69 62.74 2wrn s THR 103 Cb 0.05 -3.66 0.28 0.00 0.01 0.00 0.00 72.50 69.18 2wrn s THR 103 CO 0.52 0.23 1.15 -1.14 -0.69 0.00 0.00 174.62 174.69 2wrn n ARG 104 N 0.82 -2.59 -3.78 4.92 0.63 -1.26 -5.00 116.66 110.40 2wrn n ARG 104 Ca 0.00 -1.81 -0.34 0.00 -0.92 0.00 0.00 57.85 54.78 2wrn n ARG 104 Cb 0.44 -1.54 -0.11 0.00 0.45 0.00 0.00 32.46 31.70 2wrn n ARG 104 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 2wrn s ASP 105 N -4.82 5.04 -1.14 6.15 -1.08 -1.26 -5.00 116.67 114.56 2wrn s ASP 105 Ca 0.71 -3.06 -0.21 0.00 -0.52 0.00 0.00 52.55 49.48 2wrn s ASP 105 Cb -0.05 -1.79 -0.06 0.00 -1.46 0.00 0.00 42.92 39.55 2wrn s ASP 105 CO 0.53 -0.29 1.92 0.00 0.52 0.00 0.00 175.17 177.84 2wrn n ALA 106 N 3.16 2.85 -3.26 3.66 0.00 -1.26 -4.73 120.51 120.92 2wrn n ALA 106 Ca 0.09 -3.34 -0.03 0.00 0.00 0.00 0.00 53.44 50.16 2wrn n ALA 106 Cb 0.36 -3.55 -0.05 0.00 0.00 0.00 0.00 19.45 16.21 2wrn n ALA 106 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2wrn s ARG 107 N 5.38 0.45 0.43 0.00 0.52 -1.26 -5.17 118.95 119.29 2wrn s ARG 107 Ca 0.61 0.73 0.04 0.00 -0.52 0.00 0.00 55.73 56.59 2wrn s ARG 107 Cb 0.05 -0.02 -0.04 0.00 0.52 0.00 0.00 34.95 35.46 2wrn s ARG 107 CO 0.10 -0.65 0.04 0.08 0.02 0.00 0.00 175.30 174.90 2wrn s VAL 108 N 2.69 1.23 -0.36 3.52 1.01 -1.26 -4.83 120.40 122.39 2wrn s VAL 108 Ca 0.16 -2.00 -0.28 0.00 0.00 0.00 0.00 61.98 59.86 2wrn s VAL 108 Cb -0.15 -2.52 -0.01 0.00 0.00 0.00 0.00 36.38 33.70 2wrn s VAL 108 CO -0.19 0.00 1.70 -0.69 0.00 0.00 0.00 175.10 175.92 2wrn s VAL 109 N -2.99 3.58 0.27 2.92 1.01 -1.26 -4.94 120.40 118.99 2wrn s VAL 109 Ca 0.23 0.58 -0.30 0.00 0.00 0.00 0.00 61.98 62.49 2wrn s VAL 109 Cb 0.05 -3.81 -0.11 0.00 0.00 0.00 0.00 36.38 32.51 2wrn s VAL 109 CO 0.11 -0.53 1.56 -0.70 0.00 0.00 0.00 175.10 175.54 2wrn s GLU 110 N 5.52 4.17 0.82 2.72 2.12 -1.26 -4.94 118.70 127.85 2wrn s GLU 110 Ca 0.74 2.49 -0.14 0.00 0.36 0.00 0.00 54.97 58.42 2wrn s GLU 110 Cb -0.20 -3.06 0.01 0.00 0.26 0.00 0.00 34.13 31.15 2wrn s GLU 110 CO 0.33 -0.58 0.60 -2.13 -0.54 0.00 0.00 175.26 172.94 2wrn n ARG 111 N 2.41 0.07 -3.23 4.30 0.63 -1.26 -4.92 116.66 114.66 2wrn n ARG 111 Ca 0.08 0.08 -0.44 0.00 -0.92 0.00 0.00 57.85 56.65 2wrn n ARG 111 Cb 0.38 -1.94 -0.07 0.00 0.45 0.00 0.00 32.46 31.28 2wrn n ARG 111 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 2wrn s LYS 112 N -3.30 3.10 0.23 -0.14 2.36 -1.26 -4.53 119.74 116.20 2wrn s LYS 112 Ca 0.64 -0.91 -0.29 0.00 -2.55 0.00 0.00 55.97 52.85 2wrn s LYS 112 Cb -0.29 -4.07 -0.09 0.00 -1.05 0.00 0.00 37.83 32.33 2wrn s LYS 112 CO 0.60 -1.10 0.91 0.15 1.55 0.00 0.00 175.35 177.46 2wrn s LYS 113 N 2.38 4.80 1.18 4.03 3.01 -1.26 -4.86 119.74 129.01 2wrn s LYS 113 Ca 0.13 1.42 -0.20 0.00 -1.01 0.00 0.00 55.97 56.32 2wrn s LYS 113 Cb -0.19 -3.25 0.31 0.00 -1.01 0.00 0.00 37.83 33.68 2wrn s LYS 113 CO 0.12 0.52 0.69 2.48 0.51 0.00 0.00 175.35 179.66 2wrn n TYR 114 N 1.46 -3.44 0.00 3.18 -0.00 -1.26 -3.24 117.16 113.86 2wrn n TYR 114 Ca -0.02 -0.65 0.00 0.00 -0.00 0.00 0.00 57.90 57.23 2wrn n TYR 114 Cb 0.47 -1.00 0.00 0.00 -0.00 0.00 0.00 39.34 38.81 2wrn n TYR 114 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2wrn n GLY 115 N -4.62 1.20 3.38 -7.48 0.00 -1.26 -4.86 105.19 91.54 2wrn n GLY 115 Ca 0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 2wrn n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wrn s LYS 116 N 0.00 1.38 0.00 1.61 1.02 -1.20 -4.52 119.74 118.03 2wrn s LYS 116 Ca 0.00 -1.38 -0.25 0.00 0.02 0.00 0.00 55.97 54.37 2wrn s LYS 116 Cb 0.00 -1.75 -0.17 0.00 -0.52 0.00 0.00 37.83 35.40 2wrn s LYS 116 CO 0.00 0.40 1.23 0.45 -0.92 0.00 0.00 175.35 176.51 2wrn h HIS 117 N 3.66 -0.34 -0.92 3.18 3.86 -1.54 -3.38 115.15 119.66 2wrn h HIS 117 Ca -0.48 -0.01 -0.56 0.00 -1.16 0.00 0.00 60.37 58.16 2wrn h HIS 117 Cb 1.19 0.11 -0.42 0.00 1.06 0.00 0.00 27.41 29.35 2wrn h HIS 117 CO 0.64 0.00 -0.73 1.63 0.86 0.00 0.00 177.93 180.33 2wrn n LYS 118 N -5.10 3.54 0.00 2.45 5.02 -1.22 -4.93 118.16 117.92 2wrn n LYS 118 Ca -0.09 -4.20 0.00 0.00 -2.02 0.00 0.00 58.31 51.99 2wrn n LYS 118 Cb 0.26 -2.27 0.00 0.00 -0.02 0.00 0.00 35.03 32.99 2wrn n LYS 118 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wrn n ALA 119 N -0.67 0.00 0.00 7.82 0.00 -1.26 -4.11 120.51 122.29 2wrn n ALA 119 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.88 2wrn n ALA 119 Cb 0.89 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.34 2wrn n ALA 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wrn n ARG 120 N -0.28 0.00 -1.68 0.00 1.74 -1.26 -4.68 116.66 110.50 2wrn n ARG 120 Ca 0.00 0.00 -0.49 0.00 -0.77 0.00 0.00 57.85 56.59 2wrn n ARG 120 Cb 0.00 -0.37 -0.05 0.00 -1.02 0.00 0.00 32.46 31.02 2wrn n ARG 120 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2wrn n ARG 121 N -2.70 2.14 -3.60 5.56 0.00 -1.26 -4.91 116.66 111.89 2wrn n ARG 121 Ca 0.00 0.79 -0.37 0.00 -0.00 0.00 0.00 57.85 58.27 2wrn n ARG 121 Cb 0.30 -2.63 -0.07 0.00 0.00 0.00 0.00 32.46 30.07 2wrn n ARG 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2wrn s ALA 122 N 4.11 3.67 0.38 5.13 0.00 -1.26 -1.53 121.76 132.27 2wrn s ALA 122 Ca 0.93 -0.45 -0.25 0.00 0.00 0.00 0.00 51.96 52.20 2wrn s ALA 122 Cb -0.70 -2.30 -0.12 0.00 0.00 0.00 0.00 23.12 19.99 2wrn s ALA 122 CO 0.52 0.27 0.85 -0.35 0.00 0.00 0.00 175.76 177.06 2wrn n PRO 123 N 2.91 1.05 -0.90 0.00 -0.04 -1.26 -4.89 135.00 131.87 2wrn n PRO 123 Ca -0.14 0.38 -0.34 0.00 -0.04 0.00 0.00 63.50 63.36 2wrn n PRO 123 Cb 0.53 -1.80 0.10 0.00 -0.04 0.00 0.00 33.50 32.29 2wrn n PRO 123 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2wrn n GLN 124 N 0.42 -0.16 -4.57 0.54 7.27 -1.26 -5.01 117.38 114.61 2wrn n GLN 124 Ca 0.10 -0.01 -0.32 0.00 0.07 0.00 0.00 57.00 56.85 2wrn n GLN 124 Cb 0.37 -1.70 -0.11 0.00 2.41 0.00 0.00 30.24 31.21 2wrn n GLN 124 CO 0.00 0.00 0.00 -0.47 0.07 0.00 0.00 177.06 176.66 2wrn s TYR 125 N -2.26 2.79 0.00 3.69 6.04 -1.26 -5.07 117.35 121.28 2wrn s TYR 125 Ca 0.55 -0.10 0.00 0.00 0.04 0.00 0.00 57.07 57.56 2wrn s TYR 125 Cb -0.23 -1.58 0.00 0.00 -1.04 0.00 0.00 41.96 39.11 2wrn s TYR 125 CO 0.69 0.32 0.00 0.43 -1.54 0.00 0.00 175.55 175.44 2wrn n SER 126 N 1.68 0.00 0.00 4.32 7.64 -1.26 -4.97 113.62 121.03 2wrn n SER 126 Ca -0.16 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.72 2wrn n SER 126 Cb 0.52 -0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 2wrn n SER 126 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2wrn n LYS 127 N -1.79 0.00 0.00 1.43 4.81 -1.26 -5.37 118.16 115.98 2wrn n LYS 127 Ca 0.00 0.00 0.13 0.00 -0.87 0.00 0.00 58.31 57.57 2wrn n LYS 127 Cb 0.00 -0.07 0.22 0.00 0.02 0.00 0.00 35.03 35.20 2wrn n LYS 127 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46