#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wwl n THR 2 N 0.00 1.77 -0.11 0.00 -1.04 -1.26 -4.91 114.28 108.73 2wwl n THR 2 Ca 0.00 -0.44 -0.05 0.00 -2.04 0.00 0.00 64.05 61.52 2wwl n THR 2 Cb 0.00 -1.13 0.03 0.00 -1.82 0.00 0.00 70.33 67.41 2wwl n THR 2 CO 0.00 0.00 0.00 -0.37 -0.64 0.00 0.00 175.07 174.06 2wwl h VAL 3 N 2.26 0.79 -0.07 12.58 -1.51 -2.04 -2.33 116.25 125.93 2wwl h VAL 3 Ca -0.42 -0.06 0.02 0.00 -1.23 0.00 0.00 66.70 65.01 2wwl h VAL 3 Cb 1.32 0.59 -0.00 0.00 -2.13 0.00 0.00 31.29 31.07 2wwl h VAL 3 CO 0.63 0.03 0.15 0.78 -1.23 0.00 0.00 177.57 177.94 2wwl h ASN 4 N 0.19 0.00 1.01 4.19 4.21 -1.99 0.49 115.58 123.68 2wwl h ASN 4 Ca 0.19 0.00 -0.09 0.00 1.21 0.00 0.00 56.30 57.61 2wwl h ASN 4 Cb 0.23 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.41 2wwl h ASN 4 CO -0.25 0.00 -0.43 1.56 -1.29 0.00 0.00 177.43 177.02 2wwl h GLN 5 N 0.00 0.00 0.07 0.81 4.20 -1.78 -3.26 115.11 115.15 2wwl h GLN 5 Ca 0.03 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.41 2wwl h GLN 5 Cb 0.34 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.08 2wwl h GLN 5 CO -0.00 0.43 -1.83 1.28 -0.67 0.00 0.00 178.83 178.04 2wwl n LEU 6 N -3.44 2.37 -0.15 1.46 4.77 0.08 -1.96 117.00 120.12 2wwl n LEU 6 Ca 0.00 0.26 0.27 0.00 -0.03 0.00 0.00 56.01 56.51 2wwl n LEU 6 Cb 0.58 -1.04 0.52 0.00 -2.33 0.00 0.00 43.42 41.15 2wwl n LEU 6 CO 0.38 0.65 1.25 0.58 -1.33 0.00 0.00 177.39 178.92 2wwl h VAL 7 N -0.36 0.08 0.00 4.08 2.07 -1.42 -0.70 116.25 120.01 2wwl h VAL 7 Ca -0.43 0.00 -0.37 0.00 0.82 0.00 0.00 66.70 66.71 2wwl h VAL 7 Cb 1.76 0.15 -0.07 0.00 -1.52 0.00 0.00 31.29 31.61 2wwl h VAL 7 CO -0.06 0.00 -2.42 0.54 0.02 0.00 0.00 177.57 175.65 2wwl n ARG 8 N -3.36 0.63 -3.68 1.57 1.74 -1.20 -4.88 116.66 107.48 2wwl n ARG 8 Ca 0.20 0.14 -0.29 0.00 -0.77 0.00 0.00 57.85 57.13 2wwl n ARG 8 Cb 1.34 -1.50 -0.12 0.00 -1.02 0.00 0.00 32.46 31.15 2wwl n ARG 8 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2wwl s LYS 9 N -2.50 1.41 0.44 5.56 1.02 -0.28 -5.11 119.74 120.27 2wwl s LYS 9 Ca -0.33 -2.24 -0.24 0.00 0.02 0.00 0.00 55.97 53.18 2wwl s LYS 9 Cb 0.09 -2.34 -0.08 0.00 -0.52 0.00 0.00 37.83 34.98 2wwl s LYS 9 CO 0.59 -1.22 1.21 -1.25 -0.92 0.00 0.00 175.35 173.76 2wwl s PRO 10 N 0.01 3.85 0.26 -1.68 0.04 -1.12 -4.29 135.00 132.06 2wwl s PRO 10 Ca 0.22 1.92 -0.30 0.00 0.04 0.00 0.00 61.00 62.88 2wwl s PRO 10 Cb -0.16 -2.56 -0.09 0.00 0.04 0.00 0.00 34.50 31.73 2wwl s PRO 10 CO -0.06 -0.52 1.22 1.03 0.04 0.00 0.00 177.00 178.71 2wwl s ARG 11 N -2.48 4.48 0.82 4.56 1.81 -1.26 -5.04 118.95 121.84 2wwl s ARG 11 Ca 0.61 1.98 -0.12 0.00 -1.72 0.00 0.00 55.73 56.47 2wwl s ARG 11 Cb -0.32 -3.17 0.09 0.00 -0.45 0.00 0.00 34.95 31.10 2wwl s ARG 11 CO 0.40 -0.05 1.19 0.00 -0.68 0.00 0.00 175.30 176.16 2wwl s ALA 12 N -0.66 2.63 0.00 2.13 0.00 -1.26 -5.01 121.76 119.59 2wwl s ALA 12 Ca 0.50 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.73 2wwl s ALA 12 Cb -0.35 -2.92 0.00 0.00 0.00 0.00 0.00 23.12 19.85 2wwl s ALA 12 CO 0.43 -1.75 0.00 -2.13 0.00 0.00 0.00 175.76 172.31 2wwl n ARG 13 N -3.35 0.71 -3.77 0.00 3.00 -1.26 -5.11 116.66 106.87 2wwl n ARG 13 Ca 0.09 0.00 -0.08 0.00 -0.00 0.00 0.00 57.85 57.86 2wwl n ARG 13 Cb 0.61 -0.67 -0.02 0.00 0.00 0.00 0.00 32.46 32.38 2wwl n ARG 13 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2wwl s LYS 14 N -1.34 1.66 0.00 -0.14 1.02 -1.26 -5.05 119.74 114.64 2wwl s LYS 14 Ca 0.00 -0.89 0.13 0.00 0.02 0.00 0.00 55.97 55.23 2wwl s LYS 14 Cb 0.00 0.60 -0.05 0.00 -0.52 0.00 0.00 37.83 37.86 2wwl s LYS 14 CO 0.00 -0.75 0.68 1.33 -0.92 0.00 0.00 175.35 175.69 2wwl n VAL 15 N -0.43 0.00 -3.13 3.17 0.24 -1.26 -5.03 118.33 111.89 2wwl n VAL 15 Ca -0.07 -0.31 -0.09 0.00 -2.04 0.00 0.00 64.34 61.83 2wwl n VAL 15 Cb 0.60 1.10 0.04 0.00 -1.47 0.00 0.00 33.84 34.12 2wwl n VAL 15 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wwl n ALA 16 N -0.55 -2.44 -3.70 2.33 0.00 -1.26 -5.04 120.51 109.85 2wwl n ALA 16 Ca 0.04 0.09 -0.11 0.00 0.00 0.00 0.00 53.44 53.47 2wwl n ALA 16 Cb 0.25 -4.18 -0.11 0.00 0.00 0.00 0.00 19.45 15.41 2wwl n ALA 16 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2wwl s LYS 17 N -3.87 0.36 0.67 0.00 2.47 -1.26 -5.15 119.74 112.95 2wwl s LYS 17 Ca 0.29 0.76 -0.15 0.00 -1.56 0.00 0.00 55.97 55.31 2wwl s LYS 17 Cb -0.04 -0.03 0.01 0.00 -1.46 0.00 0.00 37.83 36.30 2wwl s LYS 17 CO 0.72 -0.16 1.12 -1.54 0.16 0.00 0.00 175.35 175.65 2wwl s SER 18 N 1.41 4.96 0.08 1.43 1.04 -1.26 -4.99 113.70 116.38 2wwl s SER 18 Ca -0.09 2.05 -0.24 0.00 0.48 0.00 0.00 55.95 58.15 2wwl s SER 18 Cb -0.09 -2.56 -0.16 0.00 0.10 0.00 0.00 66.02 63.32 2wwl s SER 18 CO -0.12 -1.73 1.71 0.78 0.98 0.00 0.00 173.24 174.85 2wwl h ASN 19 N -0.02 -0.05 -3.76 7.02 4.21 -2.07 -3.41 115.58 117.50 2wwl h ASN 19 Ca -0.47 -0.02 -0.68 0.00 1.21 0.00 0.00 56.30 56.34 2wwl h ASN 19 Cb 1.25 0.01 -0.35 0.00 -1.12 0.00 0.00 38.32 38.11 2wwl h ASN 19 CO 0.53 -0.01 -0.72 -0.69 -1.29 0.00 0.00 177.43 175.26 2wwl s VAL 20 N -6.08 2.68 1.07 2.81 1.01 -1.26 -5.13 120.40 115.51 2wwl s VAL 20 Ca -0.13 -1.67 -0.12 0.00 0.00 0.00 0.00 61.98 60.06 2wwl s VAL 20 Cb 0.06 -2.64 0.23 0.00 0.00 0.00 0.00 36.38 34.02 2wwl s VAL 20 CO 0.66 -0.22 1.06 -2.84 0.00 0.00 0.00 175.10 173.76 2wwl s PRO 21 N 1.15 -0.18 0.00 2.72 0.02 -1.26 -4.99 135.00 132.45 2wwl s PRO 21 Ca -0.03 0.92 0.00 0.00 0.02 0.00 0.00 61.00 61.92 2wwl s PRO 21 Cb -0.20 -1.63 0.00 0.00 0.02 0.00 0.00 34.50 32.69 2wwl s PRO 21 CO -0.04 -3.25 0.00 0.00 -0.33 0.00 0.00 177.00 173.38 2wwl n ALA 22 N -4.60 1.87 -2.28 -1.55 0.00 -1.26 -4.96 120.51 107.73 2wwl n ALA 22 Ca 0.05 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.31 2wwl n ALA 22 Cb 0.54 0.27 -0.01 0.00 0.00 0.00 0.00 19.45 20.25 2wwl n ALA 22 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wwl n LEU 23 N -1.92 -1.78 0.00 0.00 4.77 -1.26 -4.56 117.00 112.25 2wwl n LEU 23 Ca 0.00 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 2wwl n LEU 23 Cb 0.39 -2.61 0.00 0.00 -2.33 0.00 0.00 43.42 38.87 2wwl n LEU 23 CO 0.00 -0.25 0.00 1.21 -1.33 0.00 0.00 177.39 177.02 2wwl n GLU 24 N -2.72 0.00 -3.81 3.23 2.13 -1.26 -4.96 120.64 113.26 2wwl n GLU 24 Ca -0.21 0.00 -0.23 0.00 0.66 0.00 0.00 57.16 57.38 2wwl n GLU 24 Cb 0.66 0.00 0.01 0.00 0.27 0.00 0.00 31.44 32.38 2wwl n GLU 24 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2wwl n ALA 25 N 0.00 -1.98 -3.43 4.31 0.00 -1.26 -5.01 120.51 113.14 2wwl n ALA 25 Ca 0.00 -0.19 -0.11 0.00 0.00 0.00 0.00 53.44 53.15 2wwl n ALA 25 Cb 0.02 -1.89 -0.01 0.00 0.00 0.00 0.00 19.45 17.57 2wwl n ALA 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wwl h PRO 27 N 2.07 0.67 -4.01 0.00 0.11 -1.95 -3.47 132.00 125.42 2wwl h PRO 27 Ca -0.29 -0.33 -0.15 0.00 0.11 0.00 0.00 66.00 65.34 2wwl h PRO 27 Cb 1.25 -0.00 -0.19 0.00 0.11 0.00 0.00 31.00 32.17 2wwl h PRO 27 CO 0.38 0.93 -0.66 -0.65 -0.21 0.00 0.00 178.00 177.79 2wwl s GLN 28 N -4.45 0.44 -0.03 1.05 -1.52 -1.26 -4.60 119.66 109.28 2wwl s GLN 28 Ca -0.13 -0.79 0.03 0.00 -1.95 0.00 0.00 55.36 52.52 2wwl s GLN 28 Cb 0.09 0.16 0.00 0.00 -0.22 0.00 0.00 33.01 33.03 2wwl s GLN 28 CO 0.82 -0.08 -0.11 0.15 -0.25 0.00 0.00 175.29 175.81 2wwl s LYS 29 N -2.29 1.23 -0.44 2.91 3.01 -1.24 -4.97 119.74 117.95 2wwl s LYS 29 Ca -0.08 -0.39 -0.27 0.00 -1.01 0.00 0.00 55.97 54.22 2wwl s LYS 29 Cb -0.04 -1.11 0.03 0.00 -1.01 0.00 0.00 37.83 35.70 2wwl s LYS 29 CO -0.04 0.14 1.02 0.50 0.51 0.00 0.00 175.35 177.48 2wwl s ARG 30 N 0.19 3.69 0.15 1.68 3.52 -1.26 -1.03 118.95 125.89 2wwl s ARG 30 Ca -0.04 0.45 0.10 0.00 -0.13 0.00 0.00 55.73 56.11 2wwl s ARG 30 Cb -0.10 -3.89 -0.04 0.00 -1.56 0.00 0.00 34.95 29.36 2wwl s ARG 30 CO 0.01 -1.22 -0.24 0.20 -0.81 0.00 0.00 175.30 173.24 2wwl s GLY 31 N 2.24 1.56 0.00 8.12 0.00 -1.00 -2.84 107.32 115.40 2wwl s GLY 31 Ca 0.42 -1.50 0.00 0.00 0.00 0.00 0.00 44.72 43.64 2wwl s GLY 31 CO 0.27 -1.50 0.00 -0.62 0.00 0.00 0.00 173.10 171.24 2wwl n VAL 32 N 0.66 0.00 0.00 1.40 0.31 -0.91 -0.54 118.33 119.25 2wwl n VAL 32 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 2wwl n VAL 32 Cb 0.54 -0.08 0.00 0.00 -0.91 0.00 0.00 33.84 33.39 2wwl n VAL 32 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wwl n THR 34 N -0.81 0.00 -3.66 0.00 -1.04 -1.14 -4.20 114.28 103.43 2wwl n THR 34 Ca 0.00 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 61.95 2wwl n THR 34 Cb 0.00 -0.37 -0.07 0.00 -1.82 0.00 0.00 70.33 68.07 2wwl n THR 34 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2wwl s ARG 35 N -1.71 0.55 -0.74 -2.82 1.81 -1.26 -4.82 118.95 109.96 2wwl s ARG 35 Ca 0.00 1.20 -0.22 0.00 -1.72 0.00 0.00 55.73 55.00 2wwl s ARG 35 Cb 0.00 0.39 0.08 0.00 -0.45 0.00 0.00 34.95 34.97 2wwl s ARG 35 CO 0.00 -0.18 1.03 0.08 -0.68 0.00 0.00 175.30 175.55 2wwl s VAL 36 N 2.18 4.40 0.40 3.52 1.01 -1.26 -2.76 120.40 127.88 2wwl s VAL 36 Ca -0.07 -0.68 0.05 0.00 0.00 0.00 0.00 61.98 61.28 2wwl s VAL 36 Cb -0.09 -4.73 0.05 0.00 0.00 0.00 0.00 36.38 31.61 2wwl s VAL 36 CO -0.17 -1.50 0.45 -1.22 0.00 0.00 0.00 175.10 172.66 2wwl n TYR 37 N 7.49 -1.83 -3.38 5.22 4.02 -1.12 -5.03 117.16 122.53 2wwl n TYR 37 Ca 0.05 -1.54 -0.14 0.00 -0.01 0.00 0.00 57.90 56.26 2wwl n TYR 37 Cb 0.47 -0.36 -0.09 0.00 -0.02 0.00 0.00 39.34 39.34 2wwl n TYR 37 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 2wwl s THR 38 N -1.68 -0.49 0.73 -0.72 2.01 -1.26 -3.70 115.64 110.54 2wwl s THR 38 Ca 0.34 -0.33 -0.02 0.00 0.31 0.00 0.00 61.69 61.99 2wwl s THR 38 Cb -0.03 -0.92 0.13 0.00 0.01 0.00 0.00 72.50 71.69 2wwl s THR 38 CO 0.22 -0.33 1.01 0.28 -0.69 0.00 0.00 174.62 175.11 2wwl s THR 39 N 2.43 2.16 0.13 -0.82 -1.32 -1.10 -4.86 115.64 112.27 2wwl s THR 39 Ca 0.10 -0.53 0.04 0.00 -1.21 0.00 0.00 61.69 60.09 2wwl s THR 39 Cb -0.14 -2.63 -0.04 0.00 -1.51 0.00 0.00 72.50 68.18 2wwl s THR 39 CO -0.27 0.00 0.12 0.42 -2.21 0.00 0.00 174.62 172.68 2wwl s THR 40 N -3.20 4.55 0.41 5.08 -4.23 -1.26 -2.24 115.64 114.75 2wwl s THR 40 Ca 0.66 -0.94 -0.10 0.00 -1.18 0.00 0.00 61.69 60.14 2wwl s THR 40 Cb -0.06 -3.27 -0.06 0.00 1.34 0.00 0.00 72.50 70.45 2wwl s THR 40 CO 0.45 -0.02 0.77 -2.16 -0.54 0.00 0.00 174.62 173.12 2wwl s PRO 41 N -2.83 3.74 0.41 3.99 0.04 -1.26 -4.97 135.00 134.12 2wwl s PRO 41 Ca 0.30 0.42 -0.25 0.00 0.04 0.00 0.00 61.00 61.51 2wwl s PRO 41 Cb -0.11 -2.40 -0.08 0.00 0.04 0.00 0.00 34.50 31.95 2wwl s PRO 41 CO 0.23 -0.05 1.26 0.21 0.04 0.00 0.00 177.00 178.68 2wwl s LYS 42 N -3.96 3.94 0.24 4.56 2.20 -0.78 -4.76 119.74 121.17 2wwl s LYS 42 Ca 0.50 2.04 0.00 0.00 -0.36 0.00 0.00 55.97 58.15 2wwl s LYS 42 Cb -0.10 -2.69 0.00 0.00 -1.51 0.00 0.00 37.83 33.53 2wwl s LYS 42 CO 0.33 -0.48 0.00 1.63 -0.36 0.00 0.00 175.35 176.47 2wwl n LYS 43 N 0.02 -1.79 -2.82 4.03 4.76 -1.26 -4.48 118.16 116.61 2wwl n LYS 43 Ca 0.04 1.37 -0.42 0.00 -2.87 0.00 0.00 58.31 56.43 2wwl n LYS 43 Cb 0.45 -1.66 -0.04 0.00 -1.84 0.00 0.00 35.03 31.94 2wwl n LYS 43 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2wwl s PRO 44 N -4.72 3.99 0.00 1.97 0.04 -1.26 -4.66 135.00 130.36 2wwl s PRO 44 Ca 0.00 0.77 0.00 0.00 0.04 0.00 0.00 61.00 61.81 2wwl s PRO 44 Cb 0.00 -3.74 0.00 0.00 0.04 0.00 0.00 34.50 30.80 2wwl s PRO 44 CO 0.00 -0.78 0.58 0.09 0.04 0.00 0.00 177.00 176.93 2wwl n ASN 45 N 6.49 -0.29 0.00 6.66 4.13 -1.26 -5.12 115.26 125.87 2wwl n ASN 45 Ca 0.07 -1.17 0.00 0.00 1.68 0.00 0.00 54.58 55.16 2wwl n ASN 45 Cb 0.48 0.09 0.00 0.00 -1.54 0.00 0.00 39.78 38.80 2wwl n ASN 45 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 2wwl n SER 46 N 0.00 0.00 -3.14 6.41 2.88 -1.26 -4.97 113.62 113.54 2wwl n SER 46 Ca -0.08 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.41 2wwl n SER 46 Cb 0.51 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.99 2wwl n SER 46 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wwl n ALA 47 N 0.00 -2.41 -3.08 -1.46 0.00 -1.26 -5.09 120.51 107.21 2wwl n ALA 47 Ca 0.00 -1.11 -0.32 0.00 0.00 0.00 0.00 53.44 52.01 2wwl n ALA 47 Cb 0.00 0.72 -0.17 0.00 0.00 0.00 0.00 19.45 20.01 2wwl n ALA 47 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2wwl s LEU 48 N 0.00 2.17 -0.07 0.00 2.01 -1.26 -4.41 118.68 117.12 2wwl s LEU 48 Ca 0.21 -0.52 0.01 0.00 0.01 0.00 0.00 54.13 53.84 2wwl s LEU 48 Cb -0.04 -1.43 0.02 0.00 0.01 0.00 0.00 46.19 44.76 2wwl s LEU 48 CO 0.08 0.18 -0.08 -0.13 1.01 0.00 0.00 176.35 177.41 2wwl s ARG 49 N 0.20 1.33 -0.50 1.70 1.81 -0.95 -5.06 118.95 117.49 2wwl s ARG 49 Ca -0.14 -0.26 -0.26 0.00 -1.72 0.00 0.00 55.73 53.35 2wwl s ARG 49 Cb -0.17 -1.23 0.03 0.00 -0.45 0.00 0.00 34.95 33.13 2wwl s ARG 49 CO 0.07 -0.08 0.99 0.15 -0.68 0.00 0.00 175.30 175.76 2wwl s LYS 50 N 0.99 3.51 0.41 3.54 3.01 -1.26 -2.71 119.74 127.23 2wwl s LYS 50 Ca -0.09 0.14 0.06 0.00 -1.01 0.00 0.00 55.97 55.07 2wwl s LYS 50 Cb -0.15 -3.96 -0.07 0.00 -1.01 0.00 0.00 37.83 32.64 2wwl s LYS 50 CO 0.00 -1.35 0.01 0.14 0.51 0.00 0.00 175.35 174.66 2wwl s VAL 51 N 4.03 1.85 -0.28 3.17 -7.23 -1.24 -1.81 120.40 118.89 2wwl s VAL 51 Ca 0.38 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 58.31 2wwl s VAL 51 Cb -0.10 -2.91 0.09 0.00 0.56 0.00 0.00 36.38 34.02 2wwl s VAL 51 CO 0.26 0.00 0.85 0.00 -0.31 0.00 0.00 175.10 175.90 2wwl s ARG 53 N 0.43 -0.57 -0.30 0.00 0.52 -1.11 0.28 118.95 118.20 2wwl s ARG 53 Ca 0.00 -0.11 -0.19 0.00 -0.52 0.00 0.00 55.73 54.91 2wwl s ARG 53 Cb -0.05 -1.68 0.19 0.00 0.52 0.00 0.00 34.95 33.94 2wwl s ARG 53 CO -0.04 -3.27 1.28 0.54 0.02 0.00 0.00 175.30 173.83 2wwl s VAL 54 N -3.24 -0.06 -0.61 3.52 0.11 -0.68 -2.89 120.40 116.56 2wwl s VAL 54 Ca 0.71 0.00 -0.27 0.00 -2.93 0.00 0.00 61.98 59.49 2wwl s VAL 54 Cb -0.09 -1.00 0.03 0.00 -1.53 0.00 0.00 36.38 33.79 2wwl s VAL 54 CO 0.55 0.00 1.17 -0.60 -3.33 0.00 0.00 175.10 172.89 2wwl s ARG 55 N 2.22 3.43 0.62 1.54 6.06 -1.26 -2.75 118.95 128.81 2wwl s ARG 55 Ca -0.01 0.08 -0.18 0.00 -2.50 0.00 0.00 55.73 53.11 2wwl s ARG 55 Cb -0.02 -4.05 -0.03 0.00 0.06 0.00 0.00 34.95 30.90 2wwl s ARG 55 CO -0.14 -1.74 1.10 1.28 -2.50 0.00 0.00 175.30 173.29 2wwl n LEU 56 N 8.46 4.68 0.00 -0.88 4.77 -0.57 -2.14 117.00 131.32 2wwl n LEU 56 Ca 0.06 0.81 0.13 0.00 -0.03 0.00 0.00 56.01 56.99 2wwl n LEU 56 Cb 0.49 -1.46 0.61 0.00 -2.33 0.00 0.00 43.42 40.73 2wwl n LEU 56 CO 0.70 -1.51 0.93 0.35 -1.33 0.00 0.00 177.39 176.54 2wwl n THR 57 N -1.82 0.16 -0.08 -5.08 -2.24 -1.13 -1.76 114.28 102.32 2wwl n THR 57 Ca 0.15 0.04 0.04 0.00 -2.27 0.00 0.00 64.05 62.01 2wwl n THR 57 Cb 0.48 -0.59 0.11 0.00 -2.10 0.00 0.00 70.33 68.23 2wwl n THR 57 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2wwl n ASN 58 N -1.42 2.60 0.00 3.42 3.02 -1.26 -5.07 115.26 116.55 2wwl n ASN 58 Ca 0.09 -1.93 0.00 0.00 -0.03 0.00 0.00 54.58 52.71 2wwl n ASN 58 Cb 0.27 -0.16 0.00 0.00 -0.61 0.00 0.00 39.78 39.28 2wwl n ASN 58 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wwl n GLY 59 N 0.29 0.70 0.00 7.41 0.00 -0.72 -5.13 105.19 107.74 2wwl n GLY 59 Ca 0.08 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.21 2wwl n GLY 59 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2wwl n PHE 60 N 1.10 0.00 -3.69 1.61 3.72 -1.26 -4.49 117.46 114.45 2wwl n PHE 60 Ca 0.00 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.03 2wwl n PHE 60 Cb 0.00 -0.50 -0.12 0.00 -0.94 0.00 0.00 39.48 37.92 2wwl n PHE 60 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 2wwl s GLU 61 N -4.64 3.60 0.18 -1.08 2.56 -1.26 -1.51 118.70 116.54 2wwl s GLU 61 Ca 0.00 -0.53 -0.04 0.00 0.00 0.00 0.00 54.97 54.40 2wwl s GLU 61 Cb 0.00 -3.47 -0.03 0.00 2.00 0.00 0.00 34.13 32.63 2wwl s GLU 61 CO 0.00 -0.27 0.18 0.14 -0.56 0.00 0.00 175.26 174.75 2wwl s VAL 62 N 1.64 0.04 -0.05 3.70 -7.23 -1.11 -5.02 120.40 112.38 2wwl s VAL 62 Ca 0.06 -1.81 0.05 0.00 -1.81 0.00 0.00 61.98 58.47 2wwl s VAL 62 Cb -0.16 -2.25 -0.01 0.00 0.56 0.00 0.00 36.38 34.53 2wwl s VAL 62 CO 0.06 -0.17 -0.21 -0.89 -0.31 0.00 0.00 175.10 173.59 2wwl s THR 63 N -4.08 1.70 0.10 5.32 2.01 -1.26 -1.69 115.64 117.73 2wwl s THR 63 Ca 0.30 -0.87 0.06 0.00 0.31 0.00 0.00 61.69 61.49 2wwl s THR 63 Cb 0.06 -1.45 -0.03 0.00 0.01 0.00 0.00 72.50 71.09 2wwl s THR 63 CO 0.07 0.48 -0.16 -0.44 -0.69 0.00 0.00 174.62 173.88 2wwl s SER 64 N -0.09 2.04 0.41 3.53 0.01 0.14 -3.60 113.70 116.15 2wwl s SER 64 Ca -0.03 -0.70 -0.23 0.00 1.31 0.00 0.00 55.95 56.30 2wwl s SER 64 Cb -0.12 -0.08 -0.09 0.00 0.21 0.00 0.00 66.02 65.93 2wwl s SER 64 CO 0.03 -0.06 1.01 -0.47 0.41 0.00 0.00 173.24 174.16 2wwl s TYR 65 N -1.52 3.28 -0.08 2.43 6.04 -0.26 -1.83 117.35 125.40 2wwl s TYR 65 Ca 0.04 1.64 0.05 0.00 0.04 0.00 0.00 57.07 58.84 2wwl s TYR 65 Cb -0.08 -3.03 -0.01 0.00 -1.04 0.00 0.00 41.96 37.80 2wwl s TYR 65 CO 0.03 -0.45 -0.24 0.42 -1.54 0.00 0.00 175.55 173.78 2wwl s ILE 66 N -1.81 2.12 0.00 3.14 1.01 -0.75 -2.21 121.20 122.70 2wwl s ILE 66 Ca 0.59 -1.02 0.00 0.00 0.00 0.00 0.00 60.65 60.23 2wwl s ILE 66 Cb -0.18 -1.79 0.00 0.00 0.01 0.00 0.00 42.46 40.50 2wwl s ILE 66 CO 0.23 0.56 0.00 0.61 0.00 0.00 0.00 174.94 176.34 2wwl n GLY 67 N 3.26 6.18 7.00 6.18 0.00 -1.26 -4.46 105.19 122.08 2wwl n GLY 67 Ca -0.18 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 43.86 2wwl n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wwl n GLY 68 N 4.00 1.24 3.16 -0.02 0.00 -1.26 -4.86 105.19 107.45 2wwl n GLY 68 Ca 0.00 -0.57 -0.11 0.00 0.00 0.00 0.00 46.02 45.34 2wwl n GLY 68 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wwl s GLU 69 N 0.00 0.79 0.21 1.61 2.02 -1.26 -5.10 118.70 116.98 2wwl s GLU 69 Ca 0.00 -1.26 0.00 0.00 0.02 0.00 0.00 54.97 53.73 2wwl s GLU 69 Cb 0.00 -0.22 0.00 0.00 0.10 0.00 0.00 34.13 34.01 2wwl s GLU 69 CO 0.00 -0.01 0.00 0.41 0.02 0.00 0.00 175.26 175.68 2wwl n GLY 70 N 0.15 -2.10 3.83 -1.39 0.00 -1.26 -3.97 105.19 100.45 2wwl n GLY 70 Ca -0.14 -1.39 -0.07 0.00 0.00 0.00 0.00 46.02 44.43 2wwl n GLY 70 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2wwl s HIS 71 N -1.35 -0.03 0.00 1.61 3.76 -1.26 -4.99 115.29 113.03 2wwl s HIS 71 Ca 0.00 -0.51 0.00 0.00 -0.15 0.00 0.00 55.06 54.40 2wwl s HIS 71 Cb 0.00 0.76 0.00 0.00 1.11 0.00 0.00 32.58 34.45 2wwl s HIS 71 CO 0.00 -1.32 0.00 0.27 -0.85 0.00 0.00 174.74 172.84 2wwl n ASN 72 N -0.94 0.00 -4.74 1.40 6.94 -1.26 -5.01 115.26 111.65 2wwl n ASN 72 Ca -0.06 -0.50 -0.34 0.00 -0.02 0.00 0.00 54.58 53.66 2wwl n ASN 72 Cb 0.60 0.00 0.07 0.00 -2.36 0.00 0.00 39.78 38.09 2wwl n ASN 72 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2wwl s LEU 73 N 0.00 3.40 0.32 -4.53 1.02 -1.26 -5.05 118.68 112.58 2wwl s LEU 73 Ca 0.00 2.28 -0.06 0.00 0.02 0.00 0.00 54.13 56.37 2wwl s LEU 73 Cb 0.00 -4.58 0.00 0.00 0.02 0.00 0.00 46.19 41.63 2wwl s LEU 73 CO 0.00 -1.99 0.49 -1.10 0.02 0.00 0.00 176.35 173.77 2wwl s GLN 74 N -3.84 1.82 0.00 1.70 -0.21 -1.26 -5.02 119.66 112.85 2wwl s GLN 74 Ca 0.73 -1.59 0.20 0.00 0.02 0.00 0.00 55.36 54.72 2wwl s GLN 74 Cb -0.27 0.46 0.92 0.00 1.00 0.00 0.00 33.01 35.12 2wwl s GLN 74 CO 0.42 -0.76 1.63 0.39 -2.12 0.00 0.00 175.29 174.85 2wwl n GLU 75 N -0.50 1.42 -1.11 2.91 -0.58 -1.26 -3.60 120.64 117.91 2wwl n GLU 75 Ca -0.01 -0.63 -0.01 0.00 -0.42 0.00 0.00 57.16 56.09 2wwl n GLU 75 Cb 0.62 -1.36 -0.02 0.00 -0.57 0.00 0.00 31.44 30.11 2wwl n GLU 75 CO 0.00 0.00 0.00 -2.39 -0.48 0.00 0.00 177.13 174.26 2wwl n HIS 76 N -0.15 0.00 -2.41 -0.32 1.44 -1.26 -4.22 115.22 108.31 2wwl n HIS 76 Ca 0.15 -0.41 -0.34 0.00 -2.01 0.00 0.00 57.72 55.12 2wwl n HIS 76 Cb 0.22 0.16 -0.02 0.00 0.12 0.00 0.00 29.99 30.47 2wwl n HIS 76 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2wwl s SER 77 N -1.32 6.16 -0.15 4.39 0.15 -1.24 -4.89 113.70 116.80 2wwl s SER 77 Ca 0.14 1.92 0.00 0.00 0.70 0.00 0.00 55.95 58.71 2wwl s SER 77 Cb 0.16 -2.56 0.03 0.00 -1.71 0.00 0.00 66.02 61.95 2wwl s SER 77 CO -0.07 -0.91 -0.10 -0.69 1.20 0.00 0.00 173.24 172.67 2wwl s VAL 78 N -2.07 1.37 0.32 4.45 1.01 -1.26 -2.87 120.40 121.35 2wwl s VAL 78 Ca 0.67 -0.63 0.09 0.00 0.00 0.00 0.00 61.98 62.11 2wwl s VAL 78 Cb -0.17 -1.39 -0.05 0.00 0.00 0.00 0.00 36.38 34.77 2wwl s VAL 78 CO 0.24 0.31 0.04 0.27 0.00 0.00 0.00 175.10 175.96 2wwl s ILE 79 N 1.55 2.89 -0.18 2.22 -4.36 0.29 -4.70 121.20 118.91 2wwl s ILE 79 Ca 0.03 -1.90 -0.07 0.00 -0.26 0.00 0.00 60.65 58.45 2wwl s ILE 79 Cb -0.14 -2.84 -0.04 0.00 1.25 0.00 0.00 42.46 40.69 2wwl s ILE 79 CO -0.09 -0.24 0.06 -0.22 0.24 0.00 0.00 174.94 174.69 2wwl s LEU 80 N -3.74 3.81 -0.19 0.37 2.96 -1.26 -2.38 118.68 118.26 2wwl s LEU 80 Ca 0.35 0.09 -0.15 0.00 -0.22 0.00 0.00 54.13 54.20 2wwl s LEU 80 Cb -0.02 -1.96 -0.04 0.00 0.50 0.00 0.00 46.19 44.67 2wwl s LEU 80 CO 0.20 0.19 0.36 -0.63 -1.32 0.00 0.00 176.35 175.15 2wwl s ILE 81 N 0.29 5.24 0.13 6.68 -1.09 -0.20 -2.49 121.20 129.75 2wwl s ILE 81 Ca 0.03 0.64 -0.17 0.00 -2.23 0.00 0.00 60.65 58.93 2wwl s ILE 81 Cb -0.12 -3.69 -0.02 0.00 -1.58 0.00 0.00 42.46 37.05 2wwl s ILE 81 CO 0.00 0.29 1.69 -0.09 -1.23 0.00 0.00 174.94 175.61 2wwl h ARG 82 N 7.20 0.53 0.00 2.79 2.43 -1.01 -3.28 114.38 123.04 2wwl h ARG 82 Ca -0.38 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 2wwl h ARG 82 Cb 1.16 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.62 2wwl h ARG 82 CO 0.72 0.50 0.00 0.41 -1.51 0.00 0.00 179.97 180.09 2wwl n GLY 83 N -0.82 -0.84 0.88 2.80 0.00 -1.06 -4.82 105.19 101.33 2wwl n GLY 83 Ca -0.01 -1.69 0.11 0.00 0.00 0.00 0.00 46.02 44.44 2wwl n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wwl n GLY 84 N -0.89 -2.66 3.54 -0.02 0.00 -1.26 -4.19 105.19 99.71 2wwl n GLY 84 Ca 0.00 -1.24 -0.31 0.00 0.00 0.00 0.00 46.02 44.48 2wwl n GLY 84 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2wwl n ARG 85 N -3.53 0.75 -4.12 1.61 1.85 -1.26 -3.03 116.66 108.93 2wwl n ARG 85 Ca -0.04 -3.61 -0.11 0.00 -1.00 0.00 0.00 57.85 53.09 2wwl n ARG 85 Cb 0.41 1.16 -0.11 0.00 -1.05 0.00 0.00 32.46 32.87 2wwl n ARG 85 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 2wwl s VAL 86 N -2.86 0.59 0.78 8.89 -7.23 -1.26 -5.00 120.40 114.30 2wwl s VAL 86 Ca 0.04 -1.56 -0.11 0.00 -1.81 0.00 0.00 61.98 58.54 2wwl s VAL 86 Cb 0.00 -1.21 0.06 0.00 0.56 0.00 0.00 36.38 35.79 2wwl s VAL 86 CO 0.03 -0.68 1.08 -1.59 -0.31 0.00 0.00 175.10 173.64 2wwl s LYS 87 N -2.88 2.22 0.00 4.82 -2.85 -1.26 -4.39 119.74 115.40 2wwl s LYS 87 Ca 0.02 0.99 0.00 0.00 -1.00 0.00 0.00 55.97 55.98 2wwl s LYS 87 Cb -0.01 -1.91 0.00 0.00 -2.06 0.00 0.00 37.83 33.85 2wwl s LYS 87 CO -0.03 -1.62 0.00 -0.25 0.10 0.00 0.00 175.35 173.55 2wwl n ASP 88 N -3.48 -2.11 -3.71 0.03 8.00 -1.26 -4.97 116.55 109.05 2wwl n ASP 88 Ca 0.08 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.47 2wwl n ASP 88 Cb 0.54 -0.35 -0.12 0.00 -0.02 0.00 0.00 41.12 41.17 2wwl n ASP 88 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2wwl s LEU 89 N 0.00 0.08 -0.23 0.64 1.43 -1.26 -1.87 118.68 117.47 2wwl s LEU 89 Ca 0.00 0.74 -0.08 0.00 -1.03 0.00 0.00 54.13 53.76 2wwl s LEU 89 Cb 0.00 1.09 -0.18 0.00 0.03 0.00 0.00 46.19 47.13 2wwl s LEU 89 CO 0.00 -0.19 -0.06 -0.81 0.23 0.00 0.00 176.35 175.53 2wwl n PRO 90 N 4.32 0.64 0.00 1.29 -0.04 -1.26 -4.10 135.00 135.86 2wwl n PRO 90 Ca -0.23 0.28 0.13 0.00 -0.04 0.00 0.00 63.50 63.64 2wwl n PRO 90 Cb 0.54 -1.59 0.38 0.00 -0.04 0.00 0.00 33.50 32.78 2wwl n PRO 90 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wwl n GLY 91 N 1.78 -0.44 3.64 0.55 0.00 -1.26 -4.65 105.19 104.81 2wwl n GLY 91 Ca -0.43 -0.43 -0.43 0.00 0.00 0.00 0.00 46.02 44.73 2wwl n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wwl s VAL 92 N -2.40 4.00 0.00 1.61 1.01 -1.26 -4.35 120.40 119.02 2wwl s VAL 92 Ca 0.27 1.16 0.00 0.00 0.00 0.00 0.00 61.98 63.40 2wwl s VAL 92 Cb 0.19 -3.94 0.00 0.00 0.00 0.00 0.00 36.38 32.63 2wwl s VAL 92 CO 0.49 -0.32 0.73 0.54 0.00 0.00 0.00 175.10 176.54 2wwl n ARG 93 N 7.25 1.46 -4.07 2.72 3.00 -1.26 -4.62 116.66 121.13 2wwl n ARG 93 Ca 0.16 -1.00 -0.09 0.00 -0.01 0.00 0.00 57.85 56.91 2wwl n ARG 93 Cb 0.46 -0.84 -0.10 0.00 0.00 0.00 0.00 32.46 31.97 2wwl n ARG 93 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 2wwl s TYR 94 N -0.53 0.53 -0.00 -1.55 1.51 -1.20 -3.99 117.35 112.11 2wwl s TYR 94 Ca 0.00 -0.86 -0.05 0.00 -1.01 0.00 0.00 57.07 55.15 2wwl s TYR 94 Cb 0.00 -0.36 -0.00 0.00 -0.11 0.00 0.00 41.96 41.49 2wwl s TYR 94 CO 0.00 -0.27 0.09 -1.01 -1.11 0.00 0.00 175.55 173.25 2wwl s HIS 95 N -3.03 0.07 -0.17 2.71 3.76 -1.17 -1.11 115.29 116.35 2wwl s HIS 95 Ca 0.00 -0.16 -0.07 0.00 -0.15 0.00 0.00 55.06 54.69 2wwl s HIS 95 Cb 0.01 -0.07 -0.04 0.00 1.11 0.00 0.00 32.58 33.60 2wwl s HIS 95 CO -0.06 -0.22 0.06 0.99 -0.85 0.00 0.00 174.74 174.66 2wwl s THR 96 N -1.13 4.80 -0.27 1.30 2.01 -0.94 -0.43 115.64 120.97 2wwl s THR 96 Ca -0.12 -0.03 -0.16 0.00 0.31 0.00 0.00 61.69 61.69 2wwl s THR 96 Cb -0.07 -3.15 -0.03 0.00 0.01 0.00 0.00 72.50 69.26 2wwl s THR 96 CO 0.01 0.48 0.41 0.54 -0.69 0.00 0.00 174.62 175.36 2wwl s VAL 97 N 0.21 5.15 0.84 3.82 0.11 -1.04 -4.63 120.40 124.85 2wwl s VAL 97 Ca 0.04 0.61 -0.13 0.00 -2.93 0.00 0.00 61.98 59.57 2wwl s VAL 97 Cb -0.12 -3.74 0.10 0.00 -1.53 0.00 0.00 36.38 31.09 2wwl s VAL 97 CO 0.00 0.12 1.19 0.00 -3.33 0.00 0.00 175.10 173.08 2wwl s ARG 98 N 2.13 1.72 -0.51 1.54 1.70 -1.26 -4.37 118.95 119.91 2wwl s ARG 98 Ca 0.16 0.06 0.00 0.00 -0.47 0.00 0.00 55.73 55.49 2wwl s ARG 98 Cb -0.16 -1.93 0.00 0.00 -0.57 0.00 0.00 34.95 32.30 2wwl s ARG 98 CO 0.10 -1.76 0.00 0.41 -1.08 0.00 0.00 175.30 172.97 2wwl n GLY 99 N -3.27 0.67 2.88 3.88 0.00 -0.94 -1.94 105.19 106.47 2wwl n GLY 99 Ca 0.09 -0.82 -0.13 0.00 0.00 0.00 0.00 46.02 45.16 2wwl n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wwl s ALA 100 N -2.19 -0.08 0.00 4.61 0.00 -1.25 -4.67 121.76 118.18 2wwl s ALA 100 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.22 2wwl s ALA 100 Cb 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 23.12 22.94 2wwl s ALA 100 CO 0.00 -0.07 0.00 1.28 0.00 0.00 0.00 175.76 176.97 2wwl n LEU 101 N 3.55 0.00 -0.25 0.00 4.77 -1.26 -4.21 117.00 119.59 2wwl n LEU 101 Ca -0.19 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.75 2wwl n LEU 101 Cb 0.56 0.00 0.12 0.00 -2.33 0.00 0.00 43.42 41.77 2wwl n LEU 101 CO 0.23 -0.07 1.07 0.44 -1.33 0.00 0.00 177.39 177.73 2wwl h ASP 102 N 7.07 1.01 -3.20 -1.43 3.45 -1.98 -3.43 116.42 117.90 2wwl h ASP 102 Ca 0.00 -0.14 -0.57 0.00 0.43 0.00 0.00 57.03 56.75 2wwl h ASP 102 Cb 0.00 -0.26 0.17 0.00 -0.56 0.00 0.00 39.33 38.68 2wwl h ASP 102 CO 0.00 0.88 -0.24 0.00 -1.57 0.00 0.00 179.24 178.31 2wwl s SER 104 N -1.26 6.04 0.00 0.00 1.04 -1.26 -3.92 113.70 114.33 2wwl s SER 104 Ca 0.71 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 57.01 2wwl s SER 104 Cb -0.42 -1.42 0.00 0.00 0.10 0.00 0.00 66.02 64.28 2wwl s SER 104 CO 0.53 -0.31 0.00 0.61 0.98 0.00 0.00 173.24 175.05 2wwl n GLY 105 N -1.55 1.32 3.80 7.32 0.00 -1.26 -2.22 105.19 112.60 2wwl n GLY 105 Ca -0.03 -1.66 -0.39 0.00 0.00 0.00 0.00 46.02 43.94 2wwl n GLY 105 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wwl s VAL 106 N 1.24 4.60 -0.34 1.61 1.01 -1.25 -4.81 120.40 122.46 2wwl s VAL 106 Ca 0.00 1.38 -0.24 0.00 0.00 0.00 0.00 61.98 63.12 2wwl s VAL 106 Cb 0.00 -3.97 0.01 0.00 0.00 0.00 0.00 36.38 32.41 2wwl s VAL 106 CO 0.00 0.51 0.83 -0.54 0.00 0.00 0.00 175.10 175.90 2wwl s LYS 107 N -1.21 3.86 -0.40 2.72 1.02 -1.25 -4.40 119.74 120.08 2wwl s LYS 107 Ca 0.33 0.51 -0.02 0.00 0.02 0.00 0.00 55.97 56.80 2wwl s LYS 107 Cb -0.20 -3.77 -0.02 0.00 -0.52 0.00 0.00 37.83 33.31 2wwl s LYS 107 CO 0.22 -0.81 0.36 -0.25 -0.92 0.00 0.00 175.35 173.94 2wwl n ASP 108 N 6.43 -3.91 -4.09 2.83 9.92 -1.26 -4.92 116.55 121.56 2wwl n ASP 108 Ca 0.05 -0.25 -0.24 0.00 -0.53 0.00 0.00 54.79 53.82 2wwl n ASP 108 Cb 0.48 -2.42 -0.16 0.00 -0.64 0.00 0.00 41.12 38.38 2wwl n ASP 108 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 2wwl s ARG 109 N -3.49 1.44 0.00 -1.24 3.52 -1.26 -5.02 118.95 112.90 2wwl s ARG 109 Ca 0.16 -0.49 0.00 0.00 -0.13 0.00 0.00 55.73 55.27 2wwl s ARG 109 Cb -0.02 -1.29 0.00 0.00 -1.56 0.00 0.00 34.95 32.08 2wwl s ARG 109 CO 0.30 0.20 0.25 1.63 -0.81 0.00 0.00 175.30 176.87 2wwl n LYS 110 N 3.16 0.00 -3.78 5.12 5.02 -1.26 -4.92 118.16 121.50 2wwl n LYS 110 Ca -0.18 -0.25 -0.13 0.00 -2.02 0.00 0.00 58.31 55.73 2wwl n LYS 110 Cb 0.54 -0.46 -0.11 0.00 -0.02 0.00 0.00 35.03 34.98 2wwl n LYS 110 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 2wwl s GLN 111 N 0.00 0.38 -0.91 1.97 2.00 -1.26 -4.92 119.66 116.92 2wwl s GLN 111 Ca 0.00 0.28 -0.01 0.00 -2.00 0.00 0.00 55.36 53.63 2wwl s GLN 111 Cb 0.00 0.18 -0.01 0.00 0.80 0.00 0.00 33.01 33.97 2wwl s GLN 111 CO 0.00 -0.06 0.77 0.00 -0.50 0.00 0.00 175.29 175.49 2wwl n ALA 112 N 2.65 -1.71 0.05 1.58 0.00 -1.26 -4.96 120.51 116.86 2wwl n ALA 112 Ca -0.14 -0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.09 2wwl n ALA 112 Cb 0.58 -2.72 -0.13 0.00 0.00 0.00 0.00 19.45 17.19 2wwl n ALA 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wwl h ARG 113 N -1.31 0.49 -0.35 0.00 3.08 -1.88 -3.34 114.38 111.07 2wwl h ARG 113 Ca -0.47 -0.64 0.07 0.00 0.07 0.00 0.00 59.98 59.02 2wwl h ARG 113 Cb 1.26 0.21 -0.07 0.00 0.08 0.00 0.00 29.97 31.45 2wwl h ARG 113 CO 0.38 1.26 -0.08 0.77 -1.07 0.00 0.00 179.97 181.22 2wwl h SER 114 N 0.02 -0.32 -2.35 7.04 0.02 -1.93 -3.19 113.55 112.84 2wwl h SER 114 Ca -0.14 0.10 -0.57 0.00 -0.84 0.00 0.00 61.79 60.34 2wwl h SER 114 Cb 1.65 0.21 -0.01 0.00 0.14 0.00 0.00 62.40 64.40 2wwl h SER 114 CO 0.18 -0.11 1.32 -0.75 -1.14 0.00 0.00 176.83 176.33 2wwl s LYS 115 N -6.21 3.51 -0.30 3.45 2.47 -1.25 -3.37 119.74 118.04 2wwl s LYS 115 Ca -0.14 1.96 -0.11 0.00 -1.56 0.00 0.00 55.97 56.13 2wwl s LYS 115 Cb 0.13 -4.23 0.01 0.00 -1.46 0.00 0.00 37.83 32.29 2wwl s LYS 115 CO 0.70 -1.66 0.40 0.66 0.16 0.00 0.00 175.35 175.61 2wwl n TYR 116 N 9.91 -2.51 -1.43 4.03 4.02 -1.24 -4.93 117.16 125.01 2wwl n TYR 116 Ca 0.24 1.02 -0.42 0.00 -0.01 0.00 0.00 57.90 58.73 2wwl n TYR 116 Cb 0.45 -3.34 0.00 0.00 -0.02 0.00 0.00 39.34 36.42 2wwl n TYR 116 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2wwl n GLY 117 N -0.30 -1.67 0.00 2.72 0.00 -0.82 -4.49 105.19 100.64 2wwl n GLY 117 Ca 0.08 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2wwl n GLY 117 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2wwl n VAL 118 N -0.78 0.00 -1.97 1.61 3.14 -1.24 -3.87 118.33 115.23 2wwl n VAL 118 Ca 0.12 0.00 -0.39 0.00 -2.96 0.00 0.00 64.34 61.11 2wwl n VAL 118 Cb 0.38 0.00 0.01 0.00 -1.06 0.00 0.00 33.84 33.17 2wwl n VAL 118 CO 0.00 0.00 0.00 -1.59 -6.46 0.00 0.00 176.83 168.78 2wwl s LYS 119 N -0.47 3.68 0.32 1.45 -2.85 -1.26 -4.57 119.74 116.04 2wwl s LYS 119 Ca 0.00 2.17 -0.29 0.00 -1.00 0.00 0.00 55.97 56.85 2wwl s LYS 119 Cb 0.00 -2.56 -0.12 0.00 -2.06 0.00 0.00 37.83 33.08 2wwl s LYS 119 CO 0.00 -0.73 1.35 -2.13 0.10 0.00 0.00 175.35 173.94 2wwl n ARG 120 N -0.30 2.18 -0.51 1.78 0.63 -1.26 -5.03 116.66 114.15 2wwl n ARG 120 Ca 0.06 0.77 -0.29 0.00 -0.92 0.00 0.00 57.85 57.46 2wwl n ARG 120 Cb 0.44 -2.39 0.27 0.00 0.45 0.00 0.00 32.46 31.23 2wwl n ARG 120 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 2wwl s PRO 121 N -1.47 -1.96 0.15 -0.14 0.02 -1.26 -4.93 135.00 125.41 2wwl s PRO 121 Ca 0.59 0.42 -0.12 0.00 0.02 0.00 0.00 61.00 61.91 2wwl s PRO 121 Cb -0.58 -1.47 0.01 0.00 0.02 0.00 0.00 34.50 32.48 2wwl s PRO 121 CO 0.59 -4.30 1.57 -0.22 -0.33 0.00 0.00 177.00 174.30 2wwl h LYS 122 N -3.02 0.90 0.00 5.54 3.64 -2.05 -3.55 116.57 118.02 2wwl h LYS 122 Ca -0.52 -0.33 0.00 0.00 -1.27 0.00 0.00 60.65 58.53 2wwl h LYS 122 Cb 1.34 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 2wwl h LYS 122 CO 0.39 0.97 0.00 0.00 -2.27 0.00 0.00 179.45 178.55