#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wis n SER 2 N 0.00 -6.49 -3.63 1.61 2.88 -1.26 -5.01 113.62 101.73 1wis n SER 2 Ca 0.00 0.37 -0.09 0.00 -1.33 0.00 0.00 58.87 57.82 1wis n SER 2 Cb 0.00 -1.95 -0.07 0.00 -0.75 0.00 0.00 64.21 61.45 1wis n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wis s SER 3 N -1.17 -0.41 0.00 -3.46 0.15 -1.26 -5.12 113.70 102.43 1wis s SER 3 Ca 0.08 0.74 0.00 0.00 0.70 0.00 0.00 55.95 57.47 1wis s SER 3 Cb -0.01 0.73 0.00 0.00 -1.71 0.00 0.00 66.02 65.03 1wis s SER 3 CO 0.25 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.12 1wis n GLY 4 N 1.89 0.41 2.88 9.45 0.00 -1.26 -5.11 105.19 113.45 1wis n GLY 4 Ca -0.12 -0.88 -0.05 0.00 0.00 0.00 0.00 46.02 44.96 1wis n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wis s SER 5 N 0.00 -1.03 -0.14 1.61 0.15 -1.26 -5.14 113.70 107.89 1wis s SER 5 Ca 0.00 -1.52 -0.29 0.00 0.70 0.00 0.00 55.95 54.83 1wis s SER 5 Cb 0.00 1.63 0.09 0.00 -1.71 0.00 0.00 66.02 66.03 1wis s SER 5 CO 0.00 -0.12 0.82 -0.55 1.20 0.00 0.00 173.24 174.60 1wis s SER 6 N 1.17 -0.56 0.00 5.45 0.15 -1.26 -5.17 113.70 113.47 1wis s SER 6 Ca 0.25 0.74 0.00 0.00 0.70 0.00 0.00 55.95 57.64 1wis s SER 6 Cb -0.02 0.64 0.00 0.00 -1.71 0.00 0.00 66.02 64.92 1wis s SER 6 CO -0.07 -0.43 0.00 0.61 1.20 0.00 0.00 173.24 174.56 1wis n GLY 7 N 1.25 3.08 0.91 9.45 0.00 -1.26 -5.09 105.19 113.53 1wis n GLY 7 Ca -0.15 -0.28 -0.03 0.00 0.00 0.00 0.00 46.02 45.56 1wis n GLY 7 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wis n THR 8 N -0.73 0.36 -3.92 2.61 -2.24 -1.26 -4.93 114.28 104.17 1wis n THR 8 Ca 0.00 0.03 -0.31 0.00 -2.27 0.00 0.00 64.05 61.49 1wis n THR 8 Cb 0.00 -1.56 -0.13 0.00 -2.10 0.00 0.00 70.33 66.53 1wis n THR 8 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1wis s ILE 9 N -2.06 2.74 0.01 2.28 1.01 -1.26 -5.08 121.20 118.83 1wis s ILE 9 Ca -0.04 -3.03 -0.30 0.00 0.00 0.00 0.00 60.65 57.27 1wis s ILE 9 Cb 0.01 -2.90 -0.04 0.00 0.01 0.00 0.00 42.46 39.55 1wis s ILE 9 CO 0.05 -0.77 1.16 -0.55 0.00 0.00 0.00 174.94 174.83 1wis s SER 10 N 0.17 7.12 -1.29 3.58 0.15 -1.26 -4.94 113.70 117.23 1wis s SER 10 Ca 0.15 1.88 -0.16 0.00 0.70 0.00 0.00 55.95 58.53 1wis s SER 10 Cb -0.24 -2.57 0.09 0.00 -1.71 0.00 0.00 66.02 61.60 1wis s SER 10 CO -0.02 -0.47 1.72 -1.20 1.20 0.00 0.00 173.24 174.46 1wis n SER 11 N 4.36 4.92 0.00 5.45 7.64 -1.26 -4.82 113.62 129.91 1wis n SER 11 Ca 0.09 -2.93 0.00 0.00 1.01 0.00 0.00 58.87 57.04 1wis n SER 11 Cb 0.47 -1.69 0.00 0.00 -1.01 0.00 0.00 64.21 61.98 1wis n SER 11 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wis n GLY 12 N 4.90 -0.28 2.93 0.23 0.00 -1.26 -5.00 105.19 106.71 1wis n GLY 12 Ca 0.46 -2.13 -0.22 0.00 0.00 0.00 0.00 46.02 44.13 1wis n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wis s VAL 13 N 0.00 0.76 0.44 1.61 0.11 -1.26 -5.14 120.40 116.92 1wis s VAL 13 Ca 0.00 -0.24 -0.22 0.00 -2.93 0.00 0.00 61.98 58.59 1wis s VAL 13 Cb 0.00 -0.75 -0.09 0.00 -1.53 0.00 0.00 36.38 34.01 1wis s VAL 13 CO 0.00 0.28 1.05 -2.16 -3.33 0.00 0.00 175.10 170.94 1wis s PRO 14 N 0.94 3.99 0.80 1.54 0.04 -1.26 -5.04 135.00 136.00 1wis s PRO 14 Ca -0.10 1.45 -0.11 0.00 0.04 0.00 0.00 61.00 62.27 1wis s PRO 14 Cb -0.15 -2.33 0.07 0.00 0.04 0.00 0.00 34.50 32.13 1wis s PRO 14 CO 0.00 -0.28 1.10 -1.25 0.04 0.00 0.00 177.00 176.61 1wis s PRO 15 N -2.85 2.10 0.48 0.56 0.04 -1.26 -5.08 135.00 128.98 1wis s PRO 15 Ca 0.62 0.64 0.05 0.00 0.04 0.00 0.00 61.00 62.35 1wis s PRO 15 Cb -0.19 -1.92 -0.02 0.00 0.04 0.00 0.00 34.50 32.40 1wis s PRO 15 CO 0.24 -1.61 0.13 -1.21 0.04 0.00 0.00 177.00 174.59 1wis s GLU 16 N -5.16 2.18 0.54 4.56 2.02 -1.21 -4.87 118.70 116.76 1wis s GLU 16 Ca 0.61 -2.14 -0.17 0.00 0.02 0.00 0.00 54.97 53.29 1wis s GLU 16 Cb -0.14 -1.78 -0.06 0.00 0.10 0.00 0.00 34.13 32.24 1wis s GLU 16 CO 0.54 -0.31 1.02 -0.51 0.02 0.00 0.00 175.26 176.03 1wis s LEU 17 N -3.94 3.62 0.00 1.80 1.43 -1.26 -4.65 118.68 115.68 1wis s LEU 17 Ca 0.25 1.73 0.00 0.00 -1.03 0.00 0.00 54.13 55.08 1wis s LEU 17 Cb 0.03 -4.53 0.00 0.00 0.03 0.00 0.00 46.19 41.72 1wis s LEU 17 CO 0.14 -0.84 0.00 -0.81 0.23 0.00 0.00 176.35 175.08 1wis n PRO 18 N -1.61 0.67 -4.21 1.29 -0.04 -1.14 -4.50 135.00 125.45 1wis n PRO 18 Ca 0.08 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.41 1wis n PRO 18 Cb 0.53 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.89 1wis n PRO 18 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1wis s GLY 19 N -1.39 1.33 -0.17 0.55 0.00 0.69 -4.89 107.32 103.44 1wis s GLY 19 Ca 0.00 -1.65 -0.29 0.00 0.00 0.00 0.00 44.72 42.78 1wis s GLY 19 CO 0.00 -1.45 1.28 2.56 0.00 0.00 0.00 173.10 175.49 1wis s PRO 20 N -4.06 4.20 0.30 2.90 0.04 -1.26 -4.57 135.00 132.55 1wis s PRO 20 Ca 0.32 1.64 -0.28 0.00 0.04 0.00 0.00 61.00 62.72 1wis s PRO 20 Cb 0.07 -3.78 -0.09 0.00 0.04 0.00 0.00 34.50 30.73 1wis s PRO 20 CO 0.08 -0.75 1.07 -1.25 0.04 0.00 0.00 177.00 176.19 1wis s PRO 21 N 3.58 4.56 0.00 0.56 0.04 -1.26 -4.66 135.00 137.82 1wis s PRO 21 Ca 0.55 1.72 0.00 0.00 0.04 0.00 0.00 61.00 63.31 1wis s PRO 21 Cb -0.22 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.27 1wis s PRO 21 CO 0.16 0.16 0.00 0.25 0.04 0.00 0.00 177.00 177.61 1wis n THR 22 N 0.95 0.00 -2.09 1.26 -2.24 -1.24 -4.74 114.28 106.17 1wis n THR 22 Ca 0.00 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.57 1wis n THR 22 Cb 0.46 -0.13 -0.04 0.00 -2.10 0.00 0.00 70.33 68.52 1wis n THR 22 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1wis n ASN 23 N -0.95 -5.77 -4.77 3.42 4.13 -1.26 -3.33 115.26 106.73 1wis n ASN 23 Ca 0.00 0.19 -0.39 0.00 1.68 0.00 0.00 54.58 56.07 1wis n ASN 23 Cb 0.00 -4.91 0.00 0.00 -1.54 0.00 0.00 39.78 33.33 1wis n ASN 23 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1wis s LEU 24 N -5.54 4.10 -0.30 3.41 2.96 -1.26 -4.49 118.68 117.56 1wis s LEU 24 Ca 0.00 2.59 -0.19 0.00 -0.22 0.00 0.00 54.13 56.30 1wis s LEU 24 Cb 0.00 -4.05 0.19 0.00 0.50 0.00 0.00 46.19 42.83 1wis s LEU 24 CO 0.00 -0.99 1.27 -0.83 -1.32 0.00 0.00 176.35 174.48 1wis s GLY 25 N -0.93 0.43 -0.17 7.98 0.00 -0.96 -4.97 107.32 108.70 1wis s GLY 25 Ca 0.61 3.60 -0.07 0.00 0.00 0.00 0.00 44.72 48.86 1wis s GLY 25 CO 0.45 2.44 0.07 -0.42 0.00 0.00 0.00 173.10 175.64 1wis s ILE 26 N 0.71 4.89 0.35 0.90 1.09 -1.26 -0.65 121.20 127.24 1wis s ILE 26 Ca -0.03 -0.00 0.05 0.00 -1.10 0.00 0.00 60.65 59.57 1wis s ILE 26 Cb -0.03 -3.18 -0.07 0.00 -1.06 0.00 0.00 42.46 38.12 1wis s ILE 26 CO -0.12 0.49 0.04 -0.44 -0.10 0.00 0.00 174.94 174.82 1wis s SER 27 N 0.07 2.85 -1.37 3.58 0.01 0.13 -4.81 113.70 114.16 1wis s SER 27 Ca 0.06 -1.39 -0.14 0.00 1.31 0.00 0.00 55.95 55.80 1wis s SER 27 Cb -0.12 -0.16 0.01 0.00 0.21 0.00 0.00 66.02 65.97 1wis s SER 27 CO 0.01 -0.57 0.38 0.59 0.41 0.00 0.00 173.24 174.05 1wis n ASN 28 N -0.79 -1.55 -4.59 2.44 3.02 -1.26 -1.97 115.26 110.55 1wis n ASN 28 Ca -0.03 -1.22 -0.42 0.00 -0.03 0.00 0.00 54.58 52.88 1wis n ASN 28 Cb 0.67 -2.04 -0.03 0.00 -0.61 0.00 0.00 39.78 37.76 1wis n ASN 28 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1wis s ILE 29 N -3.94 3.25 0.24 2.41 1.01 -1.26 -3.95 121.20 118.96 1wis s ILE 29 Ca 0.21 0.25 -0.03 0.00 0.00 0.00 0.00 60.65 61.08 1wis s ILE 29 Cb -0.11 -3.36 0.05 0.00 0.01 0.00 0.00 42.46 39.05 1wis s ILE 29 CO 0.96 -0.25 0.33 0.61 0.00 0.00 0.00 174.94 176.59 1wis n GLY 30 N 5.61 -0.75 0.09 6.18 0.00 0.52 -4.53 105.19 112.30 1wis n GLY 30 Ca 0.26 -1.75 -0.12 0.00 0.00 0.00 0.00 46.02 44.42 1wis n GLY 30 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wis h PRO 31 N 0.00 -0.07 0.00 1.61 0.13 -1.88 -2.92 132.00 128.86 1wis h PRO 31 Ca -0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 1wis h PRO 31 Cb 0.31 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.46 1wis h PRO 31 CO 0.08 0.54 -0.00 0.54 -0.23 0.00 0.00 178.00 178.93 1wis n ARG 32 N -4.79 2.89 -3.73 0.86 1.74 -1.26 -3.68 116.66 108.69 1wis n ARG 32 Ca -0.08 -1.52 -0.13 0.00 -0.77 0.00 0.00 57.85 55.35 1wis n ARG 32 Cb 0.32 -1.01 -0.08 0.00 -1.02 0.00 0.00 32.46 30.67 1wis n ARG 32 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1wis s SER 33 N -1.04 -0.23 0.16 0.55 0.01 -1.26 -1.90 113.70 109.99 1wis s SER 33 Ca 0.01 0.08 -0.10 0.00 1.31 0.00 0.00 55.95 57.26 1wis s SER 33 Cb 0.01 0.35 -0.00 0.00 0.21 0.00 0.00 66.02 66.59 1wis s SER 33 CO 0.00 -0.51 0.30 0.68 0.41 0.00 0.00 173.24 174.12 1wis s VAL 34 N -1.64 0.07 -0.42 3.43 -7.23 -1.09 0.20 120.40 113.73 1wis s VAL 34 Ca -0.11 -1.27 -0.12 0.00 -1.81 0.00 0.00 61.98 58.67 1wis s VAL 34 Cb -0.04 -1.72 0.05 0.00 0.56 0.00 0.00 36.38 35.24 1wis s VAL 34 CO 0.03 -0.33 0.28 -0.89 -0.31 0.00 0.00 175.10 173.88 1wis s THR 35 N -3.94 4.68 -0.25 5.32 2.01 -0.83 0.18 115.64 122.82 1wis s THR 35 Ca 0.14 -1.07 -0.19 0.00 0.31 0.00 0.00 61.69 60.88 1wis s THR 35 Cb 0.03 -3.74 -0.03 0.00 0.01 0.00 0.00 72.50 68.77 1wis s THR 35 CO -0.02 -0.42 0.55 -0.22 -0.69 0.00 0.00 174.62 173.83 1wis s LEU 36 N 1.54 4.08 0.08 4.42 0.20 -0.51 -0.70 118.68 127.79 1wis s LEU 36 Ca 0.03 0.62 0.03 0.00 0.69 0.00 0.00 54.13 55.50 1wis s LEU 36 Cb -0.22 -2.74 -0.04 0.00 -0.43 0.00 0.00 46.19 42.77 1wis s LEU 36 CO 0.05 -0.29 0.05 -1.10 -0.29 0.00 0.00 176.35 174.77 1wis s GLN 37 N 2.23 2.78 0.11 1.98 -0.21 0.18 -2.94 119.66 123.79 1wis s GLN 37 Ca 0.23 -0.73 -0.06 0.00 0.02 0.00 0.00 55.36 54.82 1wis s GLN 37 Cb -0.16 -2.67 0.02 0.00 1.00 0.00 0.00 33.01 31.21 1wis s GLN 37 CO 0.09 0.56 0.31 1.97 -2.12 0.00 0.00 175.29 176.10 1wis n PHE 38 N 0.54 -1.26 -3.70 0.91 -1.74 -1.23 -2.28 117.46 108.71 1wis n PHE 38 Ca -0.10 -0.59 -0.11 0.00 -0.56 0.00 0.00 57.45 56.10 1wis n PHE 38 Cb 0.52 0.29 -0.10 0.00 1.52 0.00 0.00 39.48 41.71 1wis n PHE 38 CO 0.00 0.00 0.00 1.03 -0.56 0.00 0.00 176.76 177.23 1wis s ARG 39 N -2.03 0.48 -0.58 3.97 0.52 -1.21 -4.84 118.95 115.26 1wis s ARG 39 Ca 0.07 0.77 -0.27 0.00 -0.52 0.00 0.00 55.73 55.77 1wis s ARG 39 Cb -0.01 0.11 0.01 0.00 0.52 0.00 0.00 34.95 35.57 1wis s ARG 39 CO 0.03 -0.12 1.51 -1.25 0.02 0.00 0.00 175.30 175.50 1wis s PRO 40 N 0.96 3.15 -0.00 3.54 0.04 -1.26 -3.73 135.00 137.70 1wis s PRO 40 Ca -0.06 0.46 -0.21 0.00 0.04 0.00 0.00 61.00 61.24 1wis s PRO 40 Cb -0.06 -4.19 -0.11 0.00 0.04 0.00 0.00 34.50 30.18 1wis s PRO 40 CO -0.08 -2.12 0.92 0.78 0.04 0.00 0.00 177.00 176.53 1wis h GLY 41 N 13.81 -0.77 -6.61 0.56 0.00 -1.84 -3.43 103.07 104.79 1wis h GLY 41 Ca -0.27 0.29 -0.56 0.00 0.00 0.00 0.00 47.33 46.79 1wis h GLY 41 CO 1.19 -0.28 -0.83 -0.47 0.00 0.00 0.00 176.54 176.15 1wis s TYR 42 N -4.03 0.56 0.06 5.60 6.14 -1.26 -5.00 117.35 119.42 1wis s TYR 42 Ca -0.11 -1.40 -0.20 0.00 0.64 0.00 0.00 57.07 55.99 1wis s TYR 42 Cb 0.01 -0.87 -0.09 0.00 0.42 0.00 0.00 41.96 41.43 1wis s TYR 42 CO 0.33 -0.84 1.32 -0.44 0.64 0.00 0.00 175.55 176.56 1wis h ASP 43 N 7.33 -0.92 0.00 4.32 5.19 -1.90 0.20 116.42 130.63 1wis h ASP 43 Ca 0.00 0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.51 1wis h ASP 43 Cb 0.98 0.34 0.00 0.00 0.18 0.00 0.00 39.33 40.83 1wis h ASP 43 CO 0.30 -0.34 0.00 0.61 -3.12 0.00 0.00 179.24 176.69 1wis n GLY 44 N -1.29 0.40 2.21 2.75 0.00 -1.26 -2.89 105.19 105.11 1wis n GLY 44 Ca -0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.89 1wis n GLY 44 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wis n LYS 45 N 0.00 -2.14 -0.71 1.61 5.02 -1.26 -3.34 118.16 117.34 1wis n LYS 45 Ca 0.00 0.39 -0.01 0.00 -2.02 0.00 0.00 58.31 56.67 1wis n LYS 45 Cb 0.00 -4.83 -0.02 0.00 -0.02 0.00 0.00 35.03 30.16 1wis n LYS 45 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1wis n THR 46 N -2.61 0.00 -0.90 -0.18 5.66 -1.26 -4.92 114.28 110.08 1wis n THR 46 Ca -0.09 -0.08 0.00 0.00 -3.05 0.00 0.00 64.05 60.83 1wis n THR 46 Cb 0.48 0.29 0.00 0.00 -1.55 0.00 0.00 70.33 69.55 1wis n THR 46 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1wis n SER 47 N 0.04 -0.91 -4.52 1.09 2.88 -1.26 -4.74 113.62 106.20 1wis n SER 47 Ca -0.07 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.17 1wis n SER 47 Cb 0.64 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.98 1wis n SER 47 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1wis s ILE 48 N 0.00 3.08 -0.25 2.46 -1.09 -1.26 -4.60 121.20 119.54 1wis s ILE 48 Ca 0.00 -1.21 0.04 0.00 -2.23 0.00 0.00 60.65 57.24 1wis s ILE 48 Cb 0.00 -2.37 -0.18 0.00 -1.58 0.00 0.00 42.46 38.33 1wis s ILE 48 CO 0.00 0.23 -0.18 -1.20 -1.23 0.00 0.00 174.94 172.56 1wis n SER 49 N 1.16 1.75 -3.71 3.58 7.64 -0.18 -4.17 113.62 119.70 1wis n SER 49 Ca -0.15 -0.12 -0.14 0.00 1.01 0.00 0.00 58.87 59.47 1wis n SER 49 Cb 0.52 -0.25 -0.09 0.00 -1.01 0.00 0.00 64.21 63.38 1wis n SER 49 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1wis s ARG 50 N -2.52 0.62 -0.10 1.43 3.52 -1.17 0.06 118.95 120.79 1wis s ARG 50 Ca -0.32 0.35 -0.04 0.00 -0.13 0.00 0.00 55.73 55.59 1wis s ARG 50 Cb 0.09 0.29 -0.04 0.00 -1.56 0.00 0.00 34.95 33.73 1wis s ARG 50 CO 0.63 -0.12 0.08 -1.58 -0.81 0.00 0.00 175.30 173.49 1wis s TRP 51 N -0.36 3.39 -0.12 5.12 0.52 0.16 -2.03 118.94 125.62 1wis s TRP 51 Ca -0.05 0.36 -0.01 0.00 0.02 0.00 0.00 56.10 56.42 1wis s TRP 51 Cb -0.03 -1.86 -0.03 0.00 -1.15 0.00 0.00 33.47 30.40 1wis s TRP 51 CO 0.03 0.61 -0.07 -0.51 0.02 0.00 0.00 176.95 177.03 1wis s LEU 52 N -1.02 3.12 -0.27 2.99 1.02 -1.21 -1.47 118.68 121.84 1wis s LEU 52 Ca 0.15 -0.12 0.00 0.00 0.02 0.00 0.00 54.13 54.18 1wis s LEU 52 Cb -0.12 -1.72 0.08 0.00 0.02 0.00 0.00 46.19 44.46 1wis s LEU 52 CO 0.04 0.24 0.03 -0.69 0.02 0.00 0.00 176.35 176.00 1wis s VAL 53 N -0.10 1.24 0.38 -1.59 1.01 0.24 -1.27 120.40 120.31 1wis s VAL 53 Ca 0.01 -1.36 0.06 0.00 0.00 0.00 0.00 61.98 60.68 1wis s VAL 53 Cb -0.13 -1.77 -0.00 0.00 0.00 0.00 0.00 36.38 34.48 1wis s VAL 53 CO 0.03 -0.41 0.53 -1.61 0.00 0.00 0.00 175.10 173.64 1wis s GLU 54 N 1.47 3.04 0.04 2.72 2.02 -0.81 -0.86 118.70 126.32 1wis s GLU 54 Ca 0.03 -0.95 -0.23 0.00 0.02 0.00 0.00 54.97 53.84 1wis s GLU 54 Cb -0.18 -2.75 0.05 0.00 0.10 0.00 0.00 34.13 31.35 1wis s GLU 54 CO -0.14 -0.08 0.54 0.00 0.02 0.00 0.00 175.26 175.60 1wis s ALA 55 N -2.29 -1.39 0.03 5.21 0.00 -0.95 -1.63 121.76 120.74 1wis s ALA 55 Ca 0.48 0.68 0.08 0.00 0.00 0.00 0.00 51.96 53.20 1wis s ALA 55 Cb -0.10 0.35 -0.03 0.00 0.00 0.00 0.00 23.12 23.35 1wis s ALA 55 CO 0.33 -0.50 -0.22 -0.65 0.00 0.00 0.00 175.76 174.72 1wis s GLN 56 N -2.32 1.98 -0.05 0.00 -0.21 -1.11 -4.06 119.66 113.89 1wis s GLN 56 Ca -0.06 -1.01 -0.23 0.00 0.02 0.00 0.00 55.36 54.08 1wis s GLN 56 Cb -0.01 -2.09 -0.04 0.00 1.00 0.00 0.00 33.01 31.87 1wis s GLN 56 CO -0.01 0.54 0.69 0.08 -2.12 0.00 0.00 175.29 174.47 1wis s VAL 57 N -0.82 5.00 0.00 1.09 1.01 -1.26 -3.27 120.40 122.15 1wis s VAL 57 Ca 0.13 1.43 0.00 0.00 0.00 0.00 0.00 61.98 63.54 1wis s VAL 57 Cb -0.10 -4.03 0.00 0.00 0.00 0.00 0.00 36.38 32.25 1wis s VAL 57 CO 0.03 0.28 0.00 0.61 0.00 0.00 0.00 175.10 176.02 1wis n GLY 58 N 2.97 0.48 3.51 4.51 0.00 -0.75 -4.18 105.19 111.73 1wis n GLY 58 Ca -0.02 0.58 -0.33 0.00 0.00 0.00 0.00 46.02 46.26 1wis n GLY 58 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1wis n VAL 59 N 0.00 -0.02 -3.86 1.61 3.14 -1.26 -4.78 118.33 113.16 1wis n VAL 59 Ca 0.00 -0.32 -0.30 0.00 -2.96 0.00 0.00 64.34 60.77 1wis n VAL 59 Cb 0.00 -0.91 -0.16 0.00 -1.06 0.00 0.00 33.84 31.71 1wis n VAL 59 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1wis s VAL 60 N 7.79 1.22 0.00 1.55 0.11 -1.26 -4.95 120.40 124.86 1wis s VAL 60 Ca 1.24 -1.15 0.00 0.00 -2.93 0.00 0.00 61.98 59.14 1wis s VAL 60 Cb -0.86 -1.64 0.00 0.00 -1.53 0.00 0.00 36.38 32.35 1wis s VAL 60 CO 0.43 -0.25 0.00 0.61 -3.33 0.00 0.00 175.10 172.57 1wis n GLY 61 N 4.77 2.97 3.08 6.54 0.00 -1.26 -5.08 105.19 116.20 1wis n GLY 61 Ca -0.09 0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 1wis n GLY 61 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wis s GLU 62 N 4.33 1.93 0.00 1.61 0.41 -1.26 -4.56 118.70 121.17 1wis s GLU 62 Ca 0.00 -1.63 0.00 0.00 -0.41 0.00 0.00 54.97 52.93 1wis s GLU 62 Cb 0.00 -3.19 0.00 0.00 -1.78 0.00 0.00 34.13 29.16 1wis s GLU 62 CO 0.00 -0.81 0.00 0.41 -0.49 0.00 0.00 175.26 174.37 1wis n GLY 63 N 4.42 0.50 3.99 -1.39 0.00 -1.26 -5.14 105.19 106.30 1wis n GLY 63 Ca -0.05 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.78 1wis n GLY 63 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wis s GLU 64 N 0.00 3.20 0.63 1.61 0.41 -1.26 -5.11 118.70 118.17 1wis s GLU 64 Ca 0.00 -0.94 -0.06 0.00 -0.41 0.00 0.00 54.97 53.56 1wis s GLU 64 Cb 0.00 -2.83 0.03 0.00 -1.78 0.00 0.00 34.13 29.54 1wis s GLU 64 CO 0.00 0.15 0.94 -1.83 -0.49 0.00 0.00 175.26 174.02 1wis s GLU 65 N -4.13 2.67 -0.33 1.61 -1.05 -1.26 -4.98 118.70 111.22 1wis s GLU 65 Ca 0.42 -0.10 0.01 0.00 -0.15 0.00 0.00 54.97 55.15 1wis s GLU 65 Cb -0.09 -2.24 0.10 0.00 -0.44 0.00 0.00 34.13 31.46 1wis s GLU 65 CO 0.31 -0.89 0.08 -1.58 0.95 0.00 0.00 175.26 174.14 1wis s TRP 66 N -3.08 2.47 0.39 4.83 0.52 -1.26 -4.87 118.94 117.94 1wis s TRP 66 Ca 0.56 -2.23 -0.10 0.00 0.02 0.00 0.00 56.10 54.36 1wis s TRP 66 Cb -0.11 -2.17 -0.06 0.00 -1.15 0.00 0.00 33.47 29.98 1wis s TRP 66 CO 0.45 -0.90 0.73 -0.51 0.02 0.00 0.00 176.95 176.74 1wis s LEU 67 N 1.31 3.87 0.56 2.99 2.01 -1.26 -4.87 118.68 123.29 1wis s LEU 67 Ca 0.10 1.07 -0.16 0.00 0.01 0.00 0.00 54.13 55.15 1wis s LEU 67 Cb -0.18 -3.94 -0.05 0.00 0.01 0.00 0.00 46.19 42.03 1wis s LEU 67 CO -0.18 -0.37 1.03 -0.22 1.01 0.00 0.00 176.35 177.62 1wis s LEU 68 N -3.79 3.55 0.00 1.79 2.96 -1.26 -2.24 118.68 119.69 1wis s LEU 68 Ca 0.50 1.72 0.00 0.00 -0.22 0.00 0.00 54.13 56.13 1wis s LEU 68 Cb -0.10 -4.52 0.00 0.00 0.50 0.00 0.00 46.19 42.06 1wis s LEU 68 CO 0.31 -0.93 0.00 2.30 -1.32 0.00 0.00 176.35 176.71 1wis n ILE 69 N -1.83 0.00 -4.83 6.68 -5.35 -0.04 -4.84 119.36 109.16 1wis n ILE 69 Ca 0.08 0.00 -0.25 0.00 -0.27 0.00 0.00 62.75 62.31 1wis n ILE 69 Cb 0.53 -0.65 -0.16 0.00 -1.74 0.00 0.00 39.64 37.63 1wis n ILE 69 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 1wis s HIS 70 N -1.90 1.60 -0.11 4.28 5.04 -0.39 -4.99 115.29 118.83 1wis s HIS 70 Ca 0.00 -0.36 -0.04 0.00 -1.54 0.00 0.00 55.06 53.12 1wis s HIS 70 Cb 0.00 -1.05 0.05 0.00 0.04 0.00 0.00 32.58 31.62 1wis s HIS 70 CO 0.00 -0.08 0.22 1.14 -2.34 0.00 0.00 174.74 173.69 1wis s GLN 71 N -0.24 0.13 -0.29 2.88 -2.07 -1.26 0.80 119.66 119.61 1wis s GLN 71 Ca 0.03 0.61 -0.09 0.00 -1.82 0.00 0.00 55.36 54.09 1wis s GLN 71 Cb -0.08 -0.13 -0.02 0.00 -1.09 0.00 0.00 33.01 31.69 1wis s GLN 71 CO 0.00 -0.25 0.13 -1.17 -1.32 0.00 0.00 175.29 172.68 1wis s LEU 72 N 1.99 3.87 0.18 2.60 2.96 -0.54 -4.91 118.68 124.82 1wis s LEU 72 Ca -0.02 -0.34 0.03 0.00 -0.22 0.00 0.00 54.13 53.58 1wis s LEU 72 Cb -0.12 -1.99 -0.03 0.00 0.50 0.00 0.00 46.19 44.55 1wis s LEU 72 CO -0.08 -0.12 0.32 -0.44 -1.32 0.00 0.00 176.35 174.71 1wis s SER 73 N 1.64 6.33 -0.05 3.68 0.01 -1.26 0.36 113.70 124.40 1wis s SER 73 Ca 0.06 0.15 -0.00 0.00 1.31 0.00 0.00 55.95 57.46 1wis s SER 73 Cb -0.16 -1.90 0.00 0.00 0.21 0.00 0.00 66.02 64.17 1wis s SER 73 CO 0.06 0.00 0.00 -3.20 0.41 0.00 0.00 173.24 170.52 1wis n ASN 74 N -0.85 -6.78 0.00 2.44 5.15 0.11 -4.96 115.26 110.38 1wis n ASN 74 Ca -0.08 0.63 0.00 0.00 -0.60 0.00 0.00 54.58 54.54 1wis n ASN 74 Cb 0.55 -2.24 0.00 0.00 -0.53 0.00 0.00 39.78 37.56 1wis n ASN 74 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1wis n GLU 75 N 1.31 0.00 0.18 1.20 -0.58 -1.26 -5.03 120.64 116.46 1wis n GLU 75 Ca -0.01 0.00 0.06 0.00 -0.42 0.00 0.00 57.16 56.79 1wis n GLU 75 Cb 0.38 0.00 0.25 0.00 -0.57 0.00 0.00 31.44 31.50 1wis n GLU 75 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 1wis h PRO 76 N 0.00 0.00 0.00 3.49 0.13 -1.90 -3.03 132.00 130.69 1wis h PRO 76 Ca 0.00 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.92 1wis h PRO 76 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 1wis h PRO 76 CO 0.00 0.38 -0.89 -0.44 -0.23 0.00 0.00 178.00 176.81 1wis h ASP 77 N 0.00 0.36 -1.37 1.44 5.19 -1.96 -3.45 116.42 116.63 1wis h ASP 77 Ca -0.00 -0.29 -0.76 0.00 -0.62 0.00 0.00 57.03 55.36 1wis h ASP 77 Cb 1.04 -0.11 0.03 0.00 0.18 0.00 0.00 39.33 40.48 1wis h ASP 77 CO 0.05 1.09 0.54 0.00 -3.12 0.00 0.00 179.24 177.79 1wis n ALA 78 N -2.49 -1.40 -0.04 3.45 0.00 -1.15 -4.83 120.51 114.05 1wis n ALA 78 Ca -0.05 0.50 0.01 0.00 0.00 0.00 0.00 53.44 53.89 1wis n ALA 78 Cb 0.81 -2.02 -0.11 0.00 0.00 0.00 0.00 19.45 18.13 1wis n ALA 78 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wis n ARG 79 N 3.37 1.11 -3.98 0.00 5.12 -1.26 -5.02 116.66 116.01 1wis n ARG 79 Ca 0.23 -0.07 -0.08 0.00 -1.93 0.00 0.00 57.85 56.00 1wis n ARG 79 Cb 0.10 -1.34 -0.09 0.00 -1.16 0.00 0.00 32.46 29.97 1wis n ARG 79 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1wis s SER 80 N -4.14 0.31 0.14 0.55 1.04 -1.26 -3.48 113.70 106.86 1wis s SER 80 Ca -0.06 -0.83 -0.24 0.00 0.48 0.00 0.00 55.95 55.31 1wis s SER 80 Cb 0.07 0.27 0.07 0.00 0.10 0.00 0.00 66.02 66.53 1wis s SER 80 CO 0.57 -0.66 0.64 0.00 0.98 0.00 0.00 173.24 174.78 1wis s MET 81 N -3.86 1.22 0.13 4.02 0.23 -1.15 -5.04 119.30 114.85 1wis s MET 81 Ca 0.06 -0.45 -0.14 0.00 -1.03 0.00 0.00 55.69 54.13 1wis s MET 81 Cb 0.06 0.56 -0.07 0.00 -1.53 0.00 0.00 34.83 33.86 1wis s MET 81 CO -0.10 -0.53 0.53 -2.00 -2.03 0.00 0.00 175.02 170.88 1wis s GLU 82 N -3.67 3.95 -0.46 3.16 2.12 -1.26 -1.42 118.70 121.12 1wis s GLU 82 Ca 0.02 0.45 0.03 0.00 0.36 0.00 0.00 54.97 55.82 1wis s GLU 82 Cb -0.01 -2.95 0.12 0.00 0.26 0.00 0.00 34.13 31.55 1wis s GLU 82 CO -0.12 0.49 0.20 0.08 -0.54 0.00 0.00 175.26 175.37 1wis s VAL 83 N -1.45 2.63 0.00 3.70 1.01 0.13 -4.93 120.40 121.49 1wis s VAL 83 Ca 0.37 -2.89 0.00 0.00 0.00 0.00 0.00 61.98 59.46 1wis s VAL 83 Cb -0.15 -2.85 0.00 0.00 0.00 0.00 0.00 36.38 33.38 1wis s VAL 83 CO 0.19 -0.73 0.00 -0.81 0.00 0.00 0.00 175.10 173.75 1wis n PRO 84 N 3.62 -0.13 -3.52 2.72 -0.04 -1.26 -2.65 135.00 133.73 1wis n PRO 84 Ca 0.04 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.35 1wis n PRO 84 Cb 0.36 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.83 1wis n PRO 84 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1wis n ASP 85 N -2.26 -5.96 -4.20 3.54 8.00 -0.80 -4.84 116.55 110.04 1wis n ASP 85 Ca 0.00 -0.63 -0.23 0.00 0.71 0.00 0.00 54.79 54.64 1wis n ASP 85 Cb 0.00 -3.04 -0.14 0.00 -0.02 0.00 0.00 41.12 37.92 1wis n ASP 85 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1wis s LEU 86 N -4.61 2.17 -0.38 0.64 1.43 -0.92 -5.01 118.68 112.00 1wis s LEU 86 Ca 0.00 -0.50 -0.24 0.00 -1.03 0.00 0.00 54.13 52.37 1wis s LEU 86 Cb -0.00 -0.80 0.01 0.00 0.03 0.00 0.00 46.19 45.43 1wis s LEU 86 CO 0.84 0.10 0.81 0.20 0.23 0.00 0.00 176.35 178.53 1wis s ASN 87 N -1.18 6.55 0.43 2.29 -0.87 -1.26 -4.46 114.94 116.43 1wis s ASN 87 Ca 0.05 0.32 -0.23 0.00 -1.57 0.00 0.00 52.86 51.43 1wis s ASN 87 Cb -0.08 -2.41 -0.09 0.00 -0.02 0.00 0.00 41.25 38.65 1wis s ASN 87 CO 0.02 -0.79 1.05 -2.16 -2.57 0.00 0.00 177.10 172.65 1wis s PRO 88 N 3.21 4.03 -1.21 -0.60 0.04 -1.24 -3.57 135.00 135.66 1wis s PRO 88 Ca 0.32 1.47 -0.08 0.00 0.04 0.00 0.00 61.00 62.76 1wis s PRO 88 Cb -0.13 -2.39 0.01 0.00 0.04 0.00 0.00 34.50 32.03 1wis s PRO 88 CO 0.18 -0.25 1.00 0.34 0.04 0.00 0.00 177.00 178.31 1wis n PHE 89 N -0.38 -2.47 -3.77 0.56 7.35 -0.43 -4.87 117.46 113.45 1wis n PHE 89 Ca 0.06 0.85 -0.13 0.00 -0.76 0.00 0.00 57.45 57.48 1wis n PHE 89 Cb 0.51 -4.51 -0.11 0.00 0.35 0.00 0.00 39.48 35.71 1wis n PHE 89 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 1wis s THR 90 N -3.26 -0.00 -0.24 -2.13 2.01 -1.23 -4.97 115.64 105.80 1wis s THR 90 Ca 0.49 0.01 -0.29 0.00 0.31 0.00 0.00 61.69 62.21 1wis s THR 90 Cb -0.22 -0.40 -0.01 0.00 0.01 0.00 0.00 72.50 71.89 1wis s THR 90 CO 0.61 0.00 1.31 0.00 -0.69 0.00 0.00 174.62 175.85 1wis s TYR 92 N 4.10 0.73 0.35 0.00 1.51 -1.25 -1.82 117.35 120.97 1wis s TYR 92 Ca 0.57 -0.67 0.09 0.00 -1.01 0.00 0.00 57.07 56.05 1wis s TYR 92 Cb -0.19 -0.43 -0.06 0.00 -0.11 0.00 0.00 41.96 41.16 1wis s TYR 92 CO 0.20 -0.12 -0.08 0.45 -1.11 0.00 0.00 175.55 174.89 1wis s SER 93 N -2.15 3.79 0.02 2.29 0.15 -1.20 -4.18 113.70 112.42 1wis s SER 93 Ca -0.02 -1.18 -0.04 0.00 0.70 0.00 0.00 55.95 55.41 1wis s SER 93 Cb -0.04 -0.37 -0.01 0.00 -1.71 0.00 0.00 66.02 63.89 1wis s SER 93 CO -0.02 -0.22 0.06 -0.36 1.20 0.00 0.00 173.24 173.91 1wis s PHE 94 N -2.60 0.18 -0.04 3.44 0.08 -1.26 -2.77 117.98 115.01 1wis s PHE 94 Ca 0.33 -0.42 -0.06 0.00 0.12 0.00 0.00 56.93 56.90 1wis s PHE 94 Cb 0.03 -0.14 0.01 0.00 -0.57 0.00 0.00 43.02 42.35 1wis s PHE 94 CO 0.17 -0.29 0.16 -0.98 -0.10 0.00 0.00 175.22 174.18 1wis s ARG 95 N -1.92 0.29 0.24 0.44 1.70 -0.64 -2.11 118.95 116.95 1wis s ARG 95 Ca -0.11 0.02 0.04 0.00 -0.47 0.00 0.00 55.73 55.21 1wis s ARG 95 Cb -0.06 0.13 -0.03 0.00 -0.57 0.00 0.00 34.95 34.42 1wis s ARG 95 CO -0.02 -0.05 0.38 -1.64 -1.08 0.00 0.00 175.30 172.89 1wis s MET 96 N -0.40 3.45 0.27 3.89 -1.94 -1.26 -1.92 119.30 121.39 1wis s MET 96 Ca -0.05 -0.66 -0.11 0.00 -1.71 0.00 0.00 55.69 53.16 1wis s MET 96 Cb -0.03 -2.86 0.00 0.00 2.01 0.00 0.00 34.83 33.94 1wis s MET 96 CO 0.01 0.40 0.49 1.03 -0.01 0.00 0.00 175.02 176.93 1wis s ARG 97 N -3.92 1.66 -0.02 2.03 0.52 -0.39 -3.38 118.95 115.45 1wis s ARG 97 Ca 0.35 -1.37 0.01 0.00 -0.52 0.00 0.00 55.73 54.19 1wis s ARG 97 Cb -0.09 0.47 0.02 0.00 0.52 0.00 0.00 34.95 35.86 1wis s ARG 97 CO 0.30 -0.69 -0.01 -0.65 0.02 0.00 0.00 175.30 174.26 1wis s GLN 98 N -3.71 0.29 -0.08 3.54 -0.21 -1.26 -3.29 119.66 114.93 1wis s GLN 98 Ca 0.24 0.00 0.03 0.00 0.02 0.00 0.00 55.36 55.65 1wis s GLN 98 Cb -0.01 -0.39 0.01 0.00 1.00 0.00 0.00 33.01 33.62 1wis s GLN 98 CO 0.11 -0.06 -0.16 0.08 -2.12 0.00 0.00 175.29 173.15 1wis s VAL 99 N 0.60 1.44 0.35 1.09 1.01 -0.86 -1.52 120.40 122.50 1wis s VAL 99 Ca -0.06 -0.66 0.06 0.00 0.00 0.00 0.00 61.98 61.32 1wis s VAL 99 Cb -0.09 -1.28 -0.02 0.00 0.00 0.00 0.00 36.38 34.99 1wis s VAL 99 CO -0.01 0.42 0.21 -0.46 0.00 0.00 0.00 175.10 175.26 1wis n ASN 100 N 3.69 0.23 0.11 3.32 0.23 -0.42 -1.01 115.26 121.40 1wis n ASN 100 Ca -0.21 -3.08 0.08 0.00 -0.53 0.00 0.00 54.58 50.84 1wis n ASN 100 Cb 0.52 1.30 0.41 0.00 -2.08 0.00 0.00 39.78 39.93 1wis n ASN 100 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1wis n ILE 101 N -0.73 1.25 0.00 1.53 0.13 -1.26 -2.94 119.36 117.33 1wis n ILE 101 Ca 0.01 0.57 0.00 0.00 -1.10 0.00 0.00 62.75 62.23 1wis n ILE 101 Cb 0.58 -1.54 0.00 0.00 -0.84 0.00 0.00 39.64 37.84 1wis n ILE 101 CO 0.00 0.00 0.00 0.52 2.80 0.00 0.00 176.55 179.87 1wis n VAL 102 N -2.01 0.00 -1.21 9.51 0.31 -1.26 -5.05 118.33 118.61 1wis n VAL 102 Ca -0.00 0.40 0.00 0.00 -0.01 0.00 0.00 64.34 64.72 1wis n VAL 102 Cb 0.06 -1.19 0.00 0.00 -0.91 0.00 0.00 33.84 31.80 1wis n VAL 102 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wis n GLY 103 N 2.09 3.11 2.82 2.92 0.00 -1.15 -5.02 105.19 109.95 1wis n GLY 103 Ca 0.00 -0.47 -0.30 0.00 0.00 0.00 0.00 46.02 45.25 1wis n GLY 103 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wis s THR 104 N -1.22 1.24 1.00 2.61 2.01 -1.26 -1.30 115.64 118.73 1wis s THR 104 Ca 0.00 -1.59 -0.20 0.00 0.31 0.00 0.00 61.69 60.22 1wis s THR 104 Cb 0.00 -1.90 -0.12 0.00 0.01 0.00 0.00 72.50 70.49 1wis s THR 104 CO 0.00 -0.61 -0.80 -1.54 -0.69 0.00 0.00 174.62 170.98 1wis n SER 105 N 4.70 -4.46 -4.36 3.53 3.41 -0.58 -4.94 113.62 110.92 1wis n SER 105 Ca -0.01 0.13 -0.29 0.00 -0.26 0.00 0.00 58.87 58.43 1wis n SER 105 Cb 0.42 -0.76 0.18 0.00 -0.26 0.00 0.00 64.21 63.79 1wis n SER 105 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1wis s PRO 106 N -2.31 0.40 0.31 4.33 0.04 -1.26 -4.67 135.00 131.84 1wis s PRO 106 Ca 0.42 0.01 -0.28 0.00 0.04 0.00 0.00 61.00 61.19 1wis s PRO 106 Cb -0.10 -1.78 -0.09 0.00 0.04 0.00 0.00 34.50 32.57 1wis s PRO 106 CO 0.75 -2.65 1.07 -1.25 0.04 0.00 0.00 177.00 174.97 1wis s PRO 107 N -5.48 4.51 0.58 0.56 0.04 -1.26 -4.78 135.00 129.16 1wis s PRO 107 Ca 0.68 1.69 0.02 0.00 0.04 0.00 0.00 61.00 63.44 1wis s PRO 107 Cb -0.10 -3.00 0.06 0.00 0.04 0.00 0.00 34.50 31.50 1wis s PRO 107 CO 0.54 0.12 0.80 -1.54 0.04 0.00 0.00 177.00 176.97 1wis s SER 108 N -1.11 5.09 0.40 6.66 1.04 -1.22 -5.04 113.70 119.52 1wis s SER 108 Ca 0.48 -0.22 -0.27 0.00 0.48 0.00 0.00 55.95 56.42 1wis s SER 108 Cb -0.29 -0.54 -0.10 0.00 0.10 0.00 0.00 66.02 65.20 1wis s SER 108 CO 0.36 -1.28 1.41 0.00 0.98 0.00 0.00 173.24 174.71 1wis n GLN 109 N -2.39 2.35 -2.24 4.02 1.13 -1.26 -4.74 117.38 114.26 1wis n GLN 109 Ca 0.10 0.83 -0.33 0.00 -1.94 0.00 0.00 57.00 55.66 1wis n GLN 109 Cb 0.60 -2.56 -0.01 0.00 0.11 0.00 0.00 30.24 28.38 1wis n GLN 109 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1wis s PRO 110 N -2.18 3.53 0.81 -1.09 0.04 -1.26 -4.73 135.00 130.12 1wis s PRO 110 Ca 0.57 1.23 -0.12 0.00 0.04 0.00 0.00 61.00 62.73 1wis s PRO 110 Cb -0.49 -2.06 0.08 0.00 0.04 0.00 0.00 34.50 32.07 1wis s PRO 110 CO 0.61 -0.64 1.11 -1.54 0.04 0.00 0.00 177.00 176.57 1wis s SER 111 N -2.56 4.39 0.64 6.66 1.04 -0.90 -4.96 113.70 118.01 1wis s SER 111 Ca 0.64 1.23 -0.18 0.00 0.48 0.00 0.00 55.95 58.12 1wis s SER 111 Cb -0.16 -1.94 -0.02 0.00 0.10 0.00 0.00 66.02 64.01 1wis s SER 111 CO 0.31 -2.03 1.26 0.54 0.98 0.00 0.00 173.24 174.30 1wis n ARG 112 N -3.46 1.12 -1.82 4.02 1.74 -1.26 -4.70 116.66 112.30 1wis n ARG 112 Ca 0.07 0.44 -0.43 0.00 -0.77 0.00 0.00 57.85 57.16 1wis n ARG 112 Cb 0.57 -2.49 -0.03 0.00 -1.02 0.00 0.00 32.46 29.49 1wis n ARG 112 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1wis s LYS 113 N -3.26 3.65 0.32 5.56 2.47 -1.26 -4.94 119.74 122.27 1wis s LYS 113 Ca 0.81 2.03 0.10 0.00 -1.56 0.00 0.00 55.97 57.35 1wis s LYS 113 Cb -0.39 -4.19 -0.05 0.00 -1.46 0.00 0.00 37.83 31.74 1wis s LYS 113 CO 0.42 -1.50 -0.05 0.96 0.16 0.00 0.00 175.35 175.34 1wis s ILE 114 N 6.11 2.60 -0.27 5.43 -5.25 -1.26 -5.06 121.20 123.50 1wis s ILE 114 Ca 0.86 -2.08 0.03 0.00 -0.99 0.00 0.00 60.65 58.47 1wis s ILE 114 Cb -0.32 -2.69 0.06 0.00 2.95 0.00 0.00 42.46 42.46 1wis s ILE 114 CO 0.35 -0.25 -0.09 -1.58 -1.79 0.00 0.00 174.94 171.58 1wis s GLN 115 N -3.66 2.15 0.51 0.37 0.74 -1.26 -3.83 119.66 114.68 1wis s GLN 115 Ca 0.33 -1.42 -0.22 0.00 0.05 0.00 0.00 55.36 54.10 1wis s GLN 115 Cb -0.01 -2.94 -0.07 0.00 1.10 0.00 0.00 33.01 31.09 1wis s GLN 115 CO 0.18 -0.62 1.23 0.25 -0.55 0.00 0.00 175.29 175.78 1wis n THR 116 N 4.41 3.35 -0.43 -0.34 -2.24 -1.25 -4.84 114.28 112.93 1wis n THR 116 Ca -0.12 -0.50 -0.29 0.00 -2.27 0.00 0.00 64.05 60.88 1wis n THR 116 Cb 0.42 -1.50 0.25 0.00 -2.10 0.00 0.00 70.33 67.41 1wis n THR 116 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1wis n LEU 117 N -0.50 -1.53 -4.82 3.22 4.77 -1.10 -1.32 117.00 115.72 1wis n LEU 117 Ca 0.10 -0.40 -0.37 0.00 -0.03 0.00 0.00 56.01 55.31 1wis n LEU 117 Cb 0.43 -1.10 -0.06 0.00 -2.33 0.00 0.00 43.42 40.37 1wis n LEU 117 CO 0.54 -3.68 0.30 -1.10 -1.33 0.00 0.00 177.39 172.12 1wis s GLN 118 N -4.36 4.15 -0.30 3.23 -0.21 -1.26 -2.47 119.66 118.44 1wis s GLN 118 Ca 0.64 0.70 -0.00 0.00 0.02 0.00 0.00 55.36 56.72 1wis s GLN 118 Cb -0.19 -3.06 0.06 0.00 1.00 0.00 0.00 33.01 30.83 1wis s GLN 118 CO 0.61 0.53 -0.00 0.45 -2.12 0.00 0.00 175.29 174.76 1wis s SER 119 N -1.43 4.81 0.05 5.90 0.15 -1.26 -4.84 113.70 117.08 1wis s SER 119 Ca 0.35 -1.44 -0.03 0.00 0.70 0.00 0.00 55.95 55.53 1wis s SER 119 Cb -0.18 -1.68 -0.02 0.00 -1.71 0.00 0.00 66.02 62.43 1wis s SER 119 CO 0.20 -0.28 0.04 -0.83 1.20 0.00 0.00 173.24 173.57 1wis s GLY 120 N 1.25 0.30 -0.02 9.45 0.00 -1.26 -5.07 107.32 111.98 1wis s GLY 120 Ca -0.04 -0.87 -0.22 0.00 0.00 0.00 0.00 44.72 43.59 1wis s GLY 120 CO -0.03 -1.00 1.10 -0.56 0.00 0.00 0.00 173.10 172.61 1wis h PRO 121 N 3.36 0.29 -4.69 2.90 0.13 -2.07 -3.49 132.00 128.43 1wis h PRO 121 Ca -0.33 -0.29 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 1wis h PRO 121 Cb 1.17 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1wis h PRO 121 CO 0.58 0.97 -0.76 0.43 -0.23 0.00 0.00 178.00 178.99 1wis n SER 122 N -4.39 -6.76 -4.74 1.44 7.64 -1.26 -4.97 113.62 100.58 1wis n SER 122 Ca -0.09 1.08 -0.32 0.00 1.01 0.00 0.00 58.87 60.55 1wis n SER 122 Cb 0.55 -4.44 0.10 0.00 -1.01 0.00 0.00 64.21 59.42 1wis n SER 122 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wis s SER 123 N -1.36 4.17 0.00 6.43 0.15 -1.26 -5.34 113.70 116.49 1wis s SER 123 Ca 0.02 2.03 0.00 0.00 0.70 0.00 0.00 55.95 58.70 1wis s SER 123 Cb -0.00 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 1wis s SER 123 CO 0.62 -2.26 0.00 0.61 1.20 0.00 0.00 173.24 173.41