#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 -7.35 -2.70 1.61 7.64 -1.26 -4.98 113.62 106.58 1wis n SER 2 Ca 0.00 1.31 -0.05 0.00 1.01 0.00 0.00 58.87 61.15 1wis n SER 2 Cb 0.00 -4.58 -0.04 0.00 -1.01 0.00 0.00 64.21 58.58 1wis n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wis n SER 3 N -4.17 -1.86 0.00 6.43 2.88 -1.26 -4.67 113.62 110.97 1wis n SER 3 Ca -0.08 1.28 0.00 0.00 -1.33 0.00 0.00 58.87 58.74 1wis n SER 3 Cb 0.64 -4.58 0.00 0.00 -0.75 0.00 0.00 64.21 59.51 1wis n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wis n GLY 4 N 1.85 2.73 3.15 0.46 0.00 -1.26 -4.73 105.19 107.39 1wis n GLY 4 Ca -0.34 -0.32 0.06 0.00 0.00 0.00 0.00 46.02 45.41 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 -4.00 -0.08 0.05 1.61 0.15 -1.26 -4.92 113.70 105.26 1wis s SER 5 Ca 0.00 0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.67 1wis s SER 5 Cb 0.00 1.05 -0.03 0.00 -1.71 0.00 0.00 66.02 65.33 1wis s SER 5 CO 0.00 -0.01 -0.05 -0.55 1.20 0.00 0.00 173.24 173.83 1wis s SER 6 N 2.99 0.66 0.00 5.45 0.15 -1.26 -5.09 113.70 116.61 1wis s SER 6 Ca 0.19 -0.82 0.00 0.00 0.70 0.00 0.00 55.95 56.02 1wis s SER 6 Cb -0.02 0.13 0.00 0.00 -1.71 0.00 0.00 66.02 64.41 1wis s SER 6 CO -0.17 -0.44 0.00 0.61 1.20 0.00 0.00 173.24 174.44 1wis n GLY 7 N 0.61 3.31 2.97 9.45 0.00 -1.26 -4.55 105.19 115.71 1wis n GLY 7 Ca -0.17 -0.23 -0.31 0.00 0.00 0.00 0.00 46.02 45.31 1wis n GLY 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wis s THR 8 N 0.00 3.11 -0.49 2.61 -4.23 -1.26 -4.83 115.64 110.55 1wis s THR 8 Ca 0.00 -3.79 -0.06 0.00 -1.18 0.00 0.00 61.69 56.66 1wis s THR 8 Cb 0.00 -3.05 0.01 0.00 1.34 0.00 0.00 72.50 70.80 1wis s THR 8 CO 0.00 -0.94 0.53 -0.38 -0.54 0.00 0.00 174.62 173.29 1wis n ILE 9 N 2.53 -8.91 -3.18 2.99 5.41 -1.26 -4.93 119.36 112.01 1wis n ILE 9 Ca 0.14 0.22 -0.44 0.00 1.00 0.00 0.00 62.75 63.67 1wis n ILE 9 Cb 0.35 -6.48 0.00 0.00 -0.71 0.00 0.00 39.64 32.80 1wis n ILE 9 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 1wis n SER 10 N -1.05 5.63 -4.21 4.38 3.41 -1.26 -4.94 113.62 115.58 1wis n SER 10 Ca 0.04 -3.10 -0.41 0.00 -0.26 0.00 0.00 58.87 55.14 1wis n SER 10 Cb 0.44 -1.39 -0.07 0.00 -0.26 0.00 0.00 64.21 62.94 1wis n SER 10 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1wis s SER 11 N 0.97 5.90 0.29 4.04 0.01 -1.26 -5.01 113.70 118.63 1wis s SER 11 Ca 0.33 -2.61 -0.18 0.00 1.31 0.00 0.00 55.95 54.79 1wis s SER 11 Cb -0.06 -2.02 0.02 0.00 0.21 0.00 0.00 66.02 64.17 1wis s SER 11 CO -0.03 -0.51 0.68 -0.83 0.41 0.00 0.00 173.24 172.96 1wis s GLY 12 N 1.63 0.12 -0.07 3.44 0.00 -1.26 -5.17 107.32 106.01 1wis s GLY 12 Ca 0.15 -0.50 0.05 0.00 0.00 0.00 0.00 44.72 44.42 1wis s GLY 12 CO -0.05 -0.24 -0.22 0.54 0.00 0.00 0.00 173.10 173.13 1wis s VAL 13 N -3.72 2.30 0.44 1.40 0.11 -1.26 -5.12 120.40 114.55 1wis s VAL 13 Ca 0.14 -0.97 -0.22 0.00 -2.93 0.00 0.00 61.98 58.00 1wis s VAL 13 Cb -0.05 -1.87 -0.09 0.00 -1.53 0.00 0.00 36.38 32.84 1wis s VAL 13 CO 0.08 0.56 1.05 -2.16 -3.33 0.00 0.00 175.10 171.30 1wis s PRO 14 N -0.06 3.99 0.62 1.54 0.04 -1.26 -5.03 135.00 134.85 1wis s PRO 14 Ca -0.06 1.45 -0.14 0.00 0.04 0.00 0.00 61.00 62.29 1wis s PRO 14 Cb -0.15 -2.34 -0.03 0.00 0.04 0.00 0.00 34.50 32.03 1wis s PRO 14 CO 0.05 -0.28 1.05 -1.25 0.04 0.00 0.00 177.00 176.61 1wis s PRO 15 N -2.83 3.25 0.38 0.56 0.04 -1.26 -5.07 135.00 130.06 1wis s PRO 15 Ca 0.62 1.10 0.08 0.00 0.04 0.00 0.00 61.00 62.84 1wis s PRO 15 Cb -0.20 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.27 1wis s PRO 15 CO 0.24 -0.86 0.19 -1.21 0.04 0.00 0.00 177.00 175.41 1wis s GLU 16 N -4.39 2.33 0.54 4.56 2.02 -1.22 -4.98 118.70 117.55 1wis s GLU 16 Ca 0.61 -1.68 -0.17 0.00 0.02 0.00 0.00 54.97 53.76 1wis s GLU 16 Cb -0.15 -2.12 -0.06 0.00 0.10 0.00 0.00 34.13 31.90 1wis s GLU 16 CO 0.42 -0.04 1.02 -0.51 0.02 0.00 0.00 175.26 176.18 1wis s LEU 17 N -3.92 3.61 0.00 1.80 1.43 -1.26 -4.53 118.68 115.81 1wis s LEU 17 Ca 0.41 1.72 -0.13 0.00 -1.03 0.00 0.00 54.13 55.10 1wis s LEU 17 Cb 0.00 -4.53 0.19 0.00 0.03 0.00 0.00 46.19 41.88 1wis s LEU 17 CO 0.23 -0.84 0.85 -0.81 0.23 0.00 0.00 176.35 176.02 1wis n PRO 18 N -1.65 -1.71 -4.53 1.29 -0.04 -1.19 -4.62 135.00 122.55 1wis n PRO 18 Ca 0.08 -1.34 -0.25 0.00 -0.04 0.00 0.00 63.50 61.95 1wis n PRO 18 Cb 0.53 -1.06 -0.09 0.00 -0.04 0.00 0.00 33.50 32.84 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 -4.47 2.43 -0.18 0.55 0.00 -0.37 -4.69 107.32 100.60 1wis s GLY 19 Ca 0.51 -1.59 -0.29 0.00 0.00 0.00 0.00 44.72 43.35 1wis s GLY 19 CO 0.38 -1.91 1.28 2.56 0.00 0.00 0.00 173.10 175.41 1wis s PRO 20 N -3.81 4.18 0.63 2.90 0.04 -1.26 -4.63 135.00 133.04 1wis s PRO 20 Ca 0.28 1.62 -0.14 0.00 0.04 0.00 0.00 61.00 62.80 1wis s PRO 20 Cb 0.06 -3.79 -0.02 0.00 0.04 0.00 0.00 34.50 30.79 1wis s PRO 20 CO 0.14 -0.78 1.05 -1.25 0.04 0.00 0.00 177.00 176.20 1wis s PRO 21 N 3.62 3.21 0.00 0.56 0.04 -1.26 -4.73 135.00 136.44 1wis s PRO 21 Ca 0.56 1.08 0.00 0.00 0.04 0.00 0.00 61.00 62.67 1wis s PRO 21 Cb -0.21 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.30 1wis s PRO 21 CO 0.16 -0.89 0.00 0.25 0.04 0.00 0.00 177.00 176.56 1wis n THR 22 N -2.47 0.00 -2.88 1.26 -2.24 -1.23 -4.83 114.28 101.89 1wis n THR 22 Ca 0.08 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.65 1wis n THR 22 Cb 0.53 0.00 0.03 0.00 -2.10 0.00 0.00 70.33 68.79 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 -0.87 -5.82 -4.72 3.42 4.13 -1.26 -2.70 115.26 107.44 1wis n ASN 23 Ca 0.00 -0.23 -0.42 0.00 1.68 0.00 0.00 54.58 55.61 1wis n ASN 23 Cb 0.00 -4.67 -0.04 0.00 -1.54 0.00 0.00 39.78 33.53 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 -6.17 4.43 0.08 3.41 2.96 -1.26 -4.01 118.68 118.11 1wis s LEU 24 Ca 0.24 1.75 -0.07 0.00 -0.22 0.00 0.00 54.13 55.83 1wis s LEU 24 Cb -0.11 -3.58 -0.01 0.00 0.50 0.00 0.00 46.19 43.00 1wis s LEU 24 CO 0.30 -0.19 0.15 -0.83 -1.32 0.00 0.00 176.35 174.46 1wis s GLY 25 N 0.56 0.15 -0.29 7.98 0.00 -1.05 -4.94 107.32 109.74 1wis s GLY 25 Ca 0.50 -0.69 0.02 0.00 0.00 0.00 0.00 44.72 44.55 1wis s GLY 25 CO 0.29 -0.86 0.01 -0.42 0.00 0.00 0.00 173.10 172.12 1wis s ILE 26 N -3.73 1.72 0.36 0.90 -1.09 -1.26 -2.90 121.20 115.20 1wis s ILE 26 Ca 0.04 -1.70 0.04 0.00 -2.23 0.00 0.00 60.65 56.80 1wis s ILE 26 Cb 0.05 -2.13 -0.05 0.00 -1.58 0.00 0.00 42.46 38.74 1wis s ILE 26 CO -0.10 -0.39 0.07 -0.44 -1.23 0.00 0.00 174.94 172.85 1wis s SER 27 N 1.24 2.69 -1.36 3.58 0.01 -1.09 -4.82 113.70 113.94 1wis s SER 27 Ca 0.03 -1.47 -0.07 0.00 1.31 0.00 0.00 55.95 55.74 1wis s SER 27 Cb -0.19 0.09 0.00 0.00 0.21 0.00 0.00 66.02 66.14 1wis s SER 27 CO -0.11 -0.70 0.45 0.59 0.41 0.00 0.00 173.24 173.89 1wis n ASN 28 N -0.90 -1.41 -4.56 2.44 4.13 -1.26 -2.17 115.26 111.53 1wis n ASN 28 Ca -0.05 -1.08 -0.41 0.00 1.68 0.00 0.00 54.58 54.73 1wis n ASN 28 Cb 0.66 -2.78 -0.03 0.00 -1.54 0.00 0.00 39.78 36.09 1wis n ASN 28 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1wis s ILE 29 N -3.89 3.71 0.00 2.41 1.01 -1.26 -3.37 121.20 119.81 1wis s ILE 29 Ca 0.14 0.48 0.00 0.00 0.00 0.00 0.00 60.65 61.26 1wis s ILE 29 Cb -0.06 -4.67 0.00 0.00 0.01 0.00 0.00 42.46 37.74 1wis s ILE 29 CO 0.91 -1.55 0.00 0.61 0.00 0.00 0.00 174.94 174.91 1wis n GLY 30 N 5.37 0.05 0.14 6.18 0.00 0.30 -4.55 105.19 112.68 1wis n GLY 30 Ca 0.08 -1.72 -0.08 0.00 0.00 0.00 0.00 46.02 44.30 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 -0.23 0.00 1.61 0.13 -1.88 -1.70 132.00 129.93 1wis h PRO 31 Ca 0.00 0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.14 1wis h PRO 31 Cb 0.00 0.05 -0.02 0.00 0.13 0.00 0.00 31.00 31.16 1wis h PRO 31 CO 0.00 0.08 -0.26 0.54 -0.23 0.00 0.00 178.00 178.13 1wis n ARG 32 N -4.92 0.87 -3.73 0.86 1.74 -1.26 -3.87 116.66 106.34 1wis n ARG 32 Ca -0.06 -2.16 -0.13 0.00 -0.77 0.00 0.00 57.85 54.73 1wis n ARG 32 Cb 0.21 -1.14 -0.09 0.00 -1.02 0.00 0.00 32.46 30.42 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 -2.32 -0.38 0.02 0.55 0.01 -1.26 -1.98 113.70 108.34 1wis s SER 33 Ca 0.23 0.63 -0.16 0.00 1.31 0.00 0.00 55.95 57.96 1wis s SER 33 Cb 0.21 0.68 0.03 0.00 0.21 0.00 0.00 66.02 67.16 1wis s SER 33 CO -0.00 -0.25 0.35 0.68 0.41 0.00 0.00 173.24 174.43 1wis s VAL 34 N -0.27 0.06 -0.16 3.43 -7.23 -1.00 0.11 120.40 115.34 1wis s VAL 34 Ca -0.04 -0.53 -0.15 0.00 -1.81 0.00 0.00 61.98 59.45 1wis s VAL 34 Cb -0.03 -0.86 -0.05 0.00 0.56 0.00 0.00 36.38 36.01 1wis s VAL 34 CO 0.02 -0.29 0.33 -0.89 -0.31 0.00 0.00 175.10 173.96 1wis s THR 35 N -2.13 5.28 -0.21 5.32 2.01 -0.92 0.17 115.64 125.15 1wis s THR 35 Ca -0.08 0.62 -0.02 0.00 0.31 0.00 0.00 61.69 62.52 1wis s THR 35 Cb -0.02 -3.67 0.00 0.00 0.01 0.00 0.00 72.50 68.83 1wis s THR 35 CO -0.00 0.37 -0.09 -0.22 -0.69 0.00 0.00 174.62 173.98 1wis s LEU 36 N 0.57 2.71 -0.09 4.42 0.20 -0.56 -2.68 118.68 123.25 1wis s LEU 36 Ca 0.18 -0.52 -0.06 0.00 0.69 0.00 0.00 54.13 54.42 1wis s LEU 36 Cb -0.13 -1.66 -0.04 0.00 -0.43 0.00 0.00 46.19 43.93 1wis s LEU 36 CO 0.05 -0.03 0.16 -1.10 -0.29 0.00 0.00 176.35 175.15 1wis s GLN 37 N 1.41 3.46 0.37 1.98 -0.21 -1.14 -3.23 119.66 122.29 1wis s GLN 37 Ca 0.05 -0.15 -0.10 0.00 0.02 0.00 0.00 55.36 55.18 1wis s GLN 37 Cb -0.14 -3.17 0.04 0.00 1.00 0.00 0.00 33.01 30.74 1wis s GLN 37 CO -0.06 0.75 0.67 1.97 -2.12 0.00 0.00 175.29 176.50 1wis n PHE 38 N 1.73 -2.03 -3.75 0.91 -1.74 -1.18 -2.51 117.46 108.89 1wis n PHE 38 Ca -0.18 -1.99 -0.12 0.00 -0.56 0.00 0.00 57.45 54.60 1wis n PHE 38 Cb 0.54 0.78 -0.11 0.00 1.52 0.00 0.00 39.48 42.21 1wis n PHE 38 CO 0.00 0.00 0.00 -0.98 -0.56 0.00 0.00 176.76 175.22 1wis s ARG 39 N -2.33 0.33 -0.50 3.97 1.70 -1.10 -4.75 118.95 116.27 1wis s ARG 39 Ca 0.20 0.51 -0.28 0.00 -0.47 0.00 0.00 55.73 55.69 1wis s ARG 39 Cb -0.03 0.07 0.01 0.00 -0.57 0.00 0.00 34.95 34.42 1wis s ARG 39 CO 0.15 -0.09 1.46 -1.25 -1.08 0.00 0.00 175.30 174.49 1wis s PRO 40 N 0.62 3.35 0.02 3.89 0.04 -1.26 -3.55 135.00 138.12 1wis s PRO 40 Ca -0.04 0.68 -0.20 0.00 0.04 0.00 0.00 61.00 61.49 1wis s PRO 40 Cb -0.05 -4.11 -0.19 0.00 0.04 0.00 0.00 34.50 30.19 1wis s PRO 40 CO -0.04 -1.86 1.20 0.78 0.04 0.00 0.00 177.00 177.13 1wis h GLY 41 N 13.03 0.45 -6.08 0.56 0.00 -1.85 -3.44 103.07 105.74 1wis h GLY 41 Ca -0.27 -0.62 -0.06 0.00 0.00 0.00 0.00 47.33 46.38 1wis h GLY 41 CO 1.14 0.56 -0.44 -0.47 0.00 0.00 0.00 176.54 177.32 1wis s TYR 42 N -3.66 -1.58 0.07 5.60 5.04 -1.26 -4.99 117.35 116.56 1wis s TYR 42 Ca -0.14 0.65 -0.34 0.00 -2.44 0.00 0.00 57.07 54.81 1wis s TYR 42 Cb 0.04 0.18 -0.19 0.00 0.35 0.00 0.00 41.96 42.35 1wis s TYR 42 CO 0.79 -1.08 1.61 -0.44 -1.34 0.00 0.00 175.55 175.09 1wis h ASP 43 N 7.76 -0.88 0.00 4.32 3.32 -1.89 -0.96 116.42 128.09 1wis h ASP 43 Ca -0.01 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1wis h ASP 43 Cb 1.17 0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.96 1wis h ASP 43 CO 0.16 -0.60 0.00 0.61 -1.72 0.00 0.00 179.24 177.70 1wis n GLY 44 N -1.52 0.62 2.35 2.75 0.00 -1.26 -3.15 105.19 104.97 1wis n GLY 44 Ca -0.14 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.18 -0.75 1.61 5.02 -1.26 -3.46 118.16 117.15 1wis n LYS 45 Ca 0.00 0.52 -0.02 0.00 -2.02 0.00 0.00 58.31 56.78 1wis n LYS 45 Cb 0.00 -5.04 -0.02 0.00 -0.02 0.00 0.00 35.03 29.95 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 -3.00 0.00 -0.91 -0.18 5.66 -1.26 -4.95 114.28 109.63 1wis n THR 46 Ca -0.12 -0.06 0.00 0.00 -3.05 0.00 0.00 64.05 60.82 1wis n THR 46 Cb 0.55 0.29 0.00 0.00 -1.55 0.00 0.00 70.33 69.62 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 0.03 -0.91 -4.54 1.09 2.88 -1.26 -4.72 113.62 106.20 1wis n SER 47 Ca -0.10 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.13 1wis n SER 47 Cb 0.63 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 3.27 -0.17 2.46 -1.09 -1.26 -4.59 121.20 119.82 1wis s ILE 48 Ca 0.00 -0.97 0.08 0.00 -2.23 0.00 0.00 60.65 57.53 1wis s ILE 48 Cb 0.00 -2.41 -0.23 0.00 -1.58 0.00 0.00 42.46 38.24 1wis s ILE 48 CO 0.00 0.36 0.17 -1.20 -1.23 0.00 0.00 174.94 173.04 1wis n SER 49 N 1.52 1.12 -3.64 3.58 7.64 0.56 -4.32 113.62 120.08 1wis n SER 49 Ca -0.16 0.09 -0.13 0.00 1.01 0.00 0.00 58.87 59.69 1wis n SER 49 Cb 0.52 0.04 -0.07 0.00 -1.01 0.00 0.00 64.21 63.69 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 -2.53 0.80 -0.23 1.43 3.00 -1.02 -1.87 118.95 118.52 1wis s ARG 50 Ca -0.18 1.03 -0.13 0.00 -1.00 0.00 0.00 55.73 55.45 1wis s ARG 50 Cb 0.07 0.34 -0.04 0.00 0.00 0.00 0.00 34.95 35.32 1wis s ARG 50 CO 0.76 -0.11 0.29 -1.58 0.00 0.00 0.00 175.30 174.65 1wis s TRP 51 N 0.64 3.32 0.02 5.12 0.52 0.19 -1.86 118.94 126.89 1wis s TRP 51 Ca -0.02 0.40 -0.09 0.00 0.02 0.00 0.00 56.10 56.41 1wis s TRP 51 Cb -0.05 -2.42 -0.05 0.00 -1.15 0.00 0.00 33.47 29.80 1wis s TRP 51 CO -0.03 -0.02 0.33 -1.17 0.02 0.00 0.00 176.95 176.07 1wis s LEU 52 N 1.34 4.39 -0.15 2.99 2.96 -0.20 -0.85 118.68 129.17 1wis s LEU 52 Ca 0.13 0.70 -0.02 0.00 -0.22 0.00 0.00 54.13 54.73 1wis s LEU 52 Cb -0.14 -2.70 0.05 0.00 0.50 0.00 0.00 46.19 43.89 1wis s LEU 52 CO 0.07 0.26 0.01 -0.69 -1.32 0.00 0.00 176.35 174.68 1wis s VAL 53 N -1.26 0.55 0.41 1.68 1.01 0.21 -1.90 120.40 121.09 1wis s VAL 53 Ca 0.27 -0.34 0.08 0.00 0.00 0.00 0.00 61.98 61.99 1wis s VAL 53 Cb -0.14 -0.90 -0.03 0.00 0.00 0.00 0.00 36.38 35.31 1wis s VAL 53 CO 0.15 -0.01 0.33 -1.61 0.00 0.00 0.00 175.10 173.96 1wis s GLU 54 N 1.87 2.48 0.10 2.72 2.02 -1.25 0.56 118.70 127.19 1wis s GLU 54 Ca 0.01 -1.58 -0.25 0.00 0.02 0.00 0.00 54.97 53.17 1wis s GLU 54 Cb -0.15 -2.31 0.08 0.00 0.10 0.00 0.00 34.13 31.85 1wis s GLU 54 CO -0.07 -0.15 0.76 0.00 0.02 0.00 0.00 175.26 175.81 1wis s ALA 55 N -2.48 -1.67 -0.04 5.21 0.00 -0.98 -1.42 121.76 120.38 1wis s ALA 55 Ca 0.46 0.61 0.07 0.00 0.00 0.00 0.00 51.96 53.10 1wis s ALA 55 Cb -0.02 0.67 -0.02 0.00 0.00 0.00 0.00 23.12 23.76 1wis s ALA 55 CO 0.27 -0.78 -0.25 -0.65 0.00 0.00 0.00 175.76 174.35 1wis s GLN 56 N -3.47 2.26 0.15 0.00 -0.21 -1.25 -3.74 119.66 113.40 1wis s GLN 56 Ca 0.04 -0.90 -0.30 0.00 0.02 0.00 0.00 55.36 54.22 1wis s GLN 56 Cb -0.01 -2.05 -0.07 0.00 1.00 0.00 0.00 33.01 31.87 1wis s GLN 56 CO -0.09 0.47 1.09 0.08 -2.12 0.00 0.00 175.29 174.72 1wis s VAL 57 N -0.40 3.99 0.00 1.09 1.01 -1.26 -3.32 120.40 121.51 1wis s VAL 57 Ca 0.04 1.67 0.00 0.00 0.00 0.00 0.00 61.98 63.69 1wis s VAL 57 Cb -0.11 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 32.20 1wis s VAL 57 CO 0.01 0.26 0.00 0.61 0.00 0.00 0.00 175.10 175.99 1wis n GLY 58 N 2.20 0.52 3.67 4.51 0.00 -0.37 -4.44 105.19 111.28 1wis n GLY 58 Ca 0.03 0.61 -0.65 0.00 0.00 0.00 0.00 46.02 46.01 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 0.04 -3.90 1.61 3.14 -1.26 -4.68 118.33 113.28 1wis n VAL 59 Ca 0.00 -0.01 -0.28 0.00 -2.96 0.00 0.00 64.34 61.09 1wis n VAL 59 Cb 0.00 -0.60 -0.12 0.00 -1.06 0.00 0.00 33.84 32.06 1wis n VAL 59 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1wis s VAL 60 N 3.55 2.90 0.17 1.55 1.01 -1.26 -4.85 120.40 123.47 1wis s VAL 60 Ca 1.06 -4.30 -0.23 0.00 0.00 0.00 0.00 61.98 58.51 1wis s VAL 60 Cb -1.44 -2.91 0.07 0.00 0.00 0.00 0.00 36.38 32.11 1wis s VAL 60 CO 0.77 -1.01 1.01 -0.83 0.00 0.00 0.00 175.10 175.05 1wis s GLY 61 N -1.48 -0.04 1.12 4.51 0.00 -1.26 -5.16 107.32 105.01 1wis s GLY 61 Ca 0.25 -0.12 -0.17 0.00 0.00 0.00 0.00 44.72 44.68 1wis s GLY 61 CO -0.17 1.26 0.29 1.18 0.00 0.00 0.00 173.10 175.66 1wis n GLU 62 N -0.59 -2.39 0.00 2.90 1.02 -1.26 -3.36 120.64 116.96 1wis n GLU 62 Ca -0.05 -0.70 0.00 0.00 -0.02 0.00 0.00 57.16 56.40 1wis n GLU 62 Cb 0.60 -1.64 0.00 0.00 -0.02 0.00 0.00 31.44 30.38 1wis n GLU 62 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wis n GLY 63 N 2.18 1.78 3.86 0.62 0.00 -1.26 -4.96 105.19 107.41 1wis n GLY 63 Ca 0.05 -0.24 -0.31 0.00 0.00 0.00 0.00 46.02 45.51 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 3.86 0.49 1.61 0.41 -1.21 -5.08 118.70 118.78 1wis s GLU 64 Ca 0.00 0.64 -0.01 0.00 -0.41 0.00 0.00 54.97 55.19 1wis s GLU 64 Cb 0.00 -2.32 0.00 0.00 -1.78 0.00 0.00 34.13 30.04 1wis s GLU 64 CO 0.00 -0.09 0.73 -1.83 -0.49 0.00 0.00 175.26 173.58 1wis s GLU 65 N -3.82 2.98 -0.25 1.61 -1.05 -1.26 -4.99 118.70 111.93 1wis s GLU 65 Ca 0.54 -0.42 0.01 0.00 -0.15 0.00 0.00 54.97 54.95 1wis s GLU 65 Cb -0.10 -2.49 0.04 0.00 -0.44 0.00 0.00 34.13 31.14 1wis s GLU 65 CO 0.30 -0.40 -0.10 -1.58 0.95 0.00 0.00 175.26 174.42 1wis s TRP 66 N -2.67 3.13 0.21 4.83 0.52 -1.26 -4.82 118.94 118.88 1wis s TRP 66 Ca 0.50 -1.97 0.05 0.00 0.02 0.00 0.00 56.10 54.70 1wis s TRP 66 Cb -0.10 -1.98 -0.03 0.00 -1.15 0.00 0.00 33.47 30.21 1wis s TRP 66 CO 0.39 -0.83 0.26 -0.51 0.02 0.00 0.00 176.95 176.29 1wis s LEU 67 N 1.20 4.09 0.53 2.99 1.43 -1.25 -4.90 118.68 122.77 1wis s LEU 67 Ca -0.04 -0.04 -0.19 0.00 -1.03 0.00 0.00 54.13 52.83 1wis s LEU 67 Cb -0.18 -2.64 -0.07 0.00 0.03 0.00 0.00 46.19 43.33 1wis s LEU 67 CO -0.06 -0.01 1.07 -0.22 0.23 0.00 0.00 176.35 177.35 1wis s LEU 68 N -3.65 3.74 0.00 1.79 2.96 -1.26 -2.31 118.68 119.94 1wis s LEU 68 Ca 0.33 1.98 0.00 0.00 -0.22 0.00 0.00 54.13 56.22 1wis s LEU 68 Cb -0.09 -4.56 0.00 0.00 0.50 0.00 0.00 46.19 42.04 1wis s LEU 68 CO 0.27 -1.00 0.00 2.30 -1.32 0.00 0.00 176.35 176.59 1wis n ILE 69 N -1.30 0.00 -4.13 6.68 -5.35 0.19 -4.87 119.36 110.58 1wis n ILE 69 Ca 0.10 0.00 -0.17 0.00 -0.27 0.00 0.00 62.75 62.41 1wis n ILE 69 Cb 0.52 -0.50 -0.15 0.00 -1.74 0.00 0.00 39.64 37.77 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 -1.66 0.49 -0.06 4.28 5.04 -0.76 -4.94 115.29 117.68 1wis s HIS 70 Ca 0.00 -0.09 -0.02 0.00 -1.54 0.00 0.00 55.06 53.40 1wis s HIS 70 Cb 0.00 -0.37 0.04 0.00 0.04 0.00 0.00 32.58 32.29 1wis s HIS 70 CO 0.00 -0.05 0.11 1.14 -2.34 0.00 0.00 174.74 173.60 1wis s GLN 71 N 0.19 0.01 -0.21 2.88 -2.07 -1.26 0.65 119.66 119.85 1wis s GLN 71 Ca -0.02 0.41 -0.06 0.00 -1.82 0.00 0.00 55.36 53.86 1wis s GLN 71 Cb -0.06 -0.29 -0.03 0.00 -1.09 0.00 0.00 33.01 31.54 1wis s GLN 71 CO -0.00 -0.25 0.04 -1.17 -1.32 0.00 0.00 175.29 172.59 1wis s LEU 72 N 1.74 3.43 0.31 2.60 2.96 -0.03 -4.92 118.68 124.76 1wis s LEU 72 Ca -0.02 -0.15 0.08 0.00 -0.22 0.00 0.00 54.13 53.82 1wis s LEU 72 Cb -0.12 -1.89 -0.04 0.00 0.50 0.00 0.00 46.19 44.65 1wis s LEU 72 CO -0.05 0.05 0.18 -0.55 -1.32 0.00 0.00 176.35 174.67 1wis s SER 73 N 1.08 5.06 -0.29 3.68 0.15 -1.26 0.56 113.70 122.67 1wis s SER 73 Ca 0.03 -0.54 -0.26 0.00 0.70 0.00 0.00 55.95 55.88 1wis s SER 73 Cb -0.14 -0.99 0.04 0.00 -1.71 0.00 0.00 66.02 63.22 1wis s SER 73 CO 0.02 -0.21 0.44 0.59 1.20 0.00 0.00 173.24 175.28 1wis n ASN 74 N -1.19 -5.49 0.00 5.45 4.13 -0.78 -4.93 115.26 112.45 1wis n ASN 74 Ca -0.04 0.01 0.00 0.00 1.68 0.00 0.00 54.58 56.23 1wis n ASN 74 Cb 0.60 -1.50 0.00 0.00 -1.54 0.00 0.00 39.78 37.34 1wis n ASN 74 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1wis n GLU 75 N 0.27 0.00 0.15 3.52 -0.58 -1.26 -5.03 120.64 117.71 1wis n GLU 75 Ca -0.06 0.00 0.02 0.00 -0.42 0.00 0.00 57.16 56.70 1wis n GLU 75 Cb 0.60 0.00 0.18 0.00 -0.57 0.00 0.00 31.44 31.65 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 -0.23 3.49 0.13 -1.91 -3.06 132.00 130.42 1wis h PRO 76 Ca 0.00 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.99 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 0.52 -0.44 0.22 -0.23 0.00 0.00 178.00 178.07 1wis h ASP 77 N 0.00 0.60 -1.34 1.44 3.58 -1.96 -3.44 116.42 115.31 1wis h ASP 77 Ca -0.01 -0.28 -0.71 0.00 0.42 0.00 0.00 57.03 56.45 1wis h ASP 77 Cb 1.15 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 42.03 1wis h ASP 77 CO 0.07 0.96 1.10 0.00 -2.88 0.00 0.00 179.24 178.49 1wis n ALA 78 N -2.51 0.30 0.01 -0.78 0.00 -1.16 -4.80 120.51 111.58 1wis n ALA 78 Ca -0.02 0.23 0.08 0.00 0.00 0.00 0.00 53.44 53.74 1wis n ALA 78 Cb 0.54 -2.33 -0.13 0.00 0.00 0.00 0.00 19.45 17.53 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 6.48 0.65 -4.06 0.00 3.00 -1.26 -4.98 116.66 116.48 1wis n ARG 79 Ca 0.33 -0.08 -0.10 0.00 -0.01 0.00 0.00 57.85 57.99 1wis n ARG 79 Cb 0.16 -1.61 -0.09 0.00 0.00 0.00 0.00 32.46 30.92 1wis n ARG 79 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1wis s SER 80 N -4.88 0.20 -0.03 0.55 1.04 -1.26 -3.07 113.70 106.24 1wis s SER 80 Ca -0.06 -1.06 -0.30 0.00 0.48 0.00 0.00 55.95 55.01 1wis s SER 80 Cb 0.12 0.35 0.11 0.00 0.10 0.00 0.00 66.02 66.70 1wis s SER 80 CO 0.87 -0.80 1.01 0.00 0.98 0.00 0.00 173.24 175.30 1wis s MET 81 N -4.01 0.71 0.17 4.02 0.23 -1.20 -5.04 119.30 114.18 1wis s MET 81 Ca 0.21 -0.30 -0.15 0.00 -1.03 0.00 0.00 55.69 54.42 1wis s MET 81 Cb 0.06 0.30 -0.07 0.00 -1.53 0.00 0.00 34.83 33.59 1wis s MET 81 CO 0.01 -0.31 0.59 -2.00 -2.03 0.00 0.00 175.02 171.27 1wis s GLU 82 N -2.91 4.02 -0.53 3.16 2.12 -1.26 -1.50 118.70 121.80 1wis s GLU 82 Ca 0.08 0.55 -0.01 0.00 0.36 0.00 0.00 54.97 55.94 1wis s GLU 82 Cb -0.01 -2.89 0.14 0.00 0.26 0.00 0.00 34.13 31.63 1wis s GLU 82 CO -0.06 0.45 0.33 0.08 -0.54 0.00 0.00 175.26 175.51 1wis s VAL 83 N -1.51 3.36 0.00 3.70 1.01 0.44 -4.93 120.40 122.47 1wis s VAL 83 Ca 0.40 -2.73 0.00 0.00 0.00 0.00 0.00 61.98 59.65 1wis s VAL 83 Cb -0.15 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 32.98 1wis s VAL 83 CO 0.19 -0.80 0.00 -0.81 0.00 0.00 0.00 175.10 173.69 1wis n PRO 84 N 3.78 0.65 -3.82 2.72 -0.04 -1.26 -2.38 135.00 134.65 1wis n PRO 84 Ca 0.04 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.25 1wis n PRO 84 Cb 0.38 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.84 1wis n PRO 84 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1wis n ASP 85 N -0.69 -4.78 -4.35 3.54 2.03 -1.00 -4.80 116.55 106.50 1wis n ASP 85 Ca 0.00 -1.00 -0.26 0.00 0.52 0.00 0.00 54.79 54.05 1wis n ASP 85 Cb 0.00 -1.61 -0.13 0.00 -0.72 0.00 0.00 41.12 38.66 1wis n ASP 85 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1wis s LEU 86 N -5.07 2.33 -0.35 -2.67 1.43 -0.84 -5.01 118.68 108.51 1wis s LEU 86 Ca 0.02 -0.74 -0.23 0.00 -1.03 0.00 0.00 54.13 52.15 1wis s LEU 86 Cb -0.01 -1.06 0.01 0.00 0.03 0.00 0.00 46.19 45.15 1wis s LEU 86 CO 0.90 0.12 0.77 0.20 0.23 0.00 0.00 176.35 178.56 1wis s ASN 87 N -2.08 6.57 0.61 2.29 -0.87 -1.26 -4.52 114.94 115.67 1wis s ASN 87 Ca 0.12 0.42 -0.15 0.00 -1.57 0.00 0.00 52.86 51.68 1wis s ASN 87 Cb -0.10 -2.39 -0.03 0.00 -0.02 0.00 0.00 41.25 38.71 1wis s ASN 87 CO 0.06 -0.68 1.05 -2.16 -2.57 0.00 0.00 177.10 172.80 1wis s PRO 88 N 3.01 3.31 -1.62 -0.60 0.04 -1.25 -3.65 135.00 134.24 1wis s PRO 88 Ca 0.31 1.13 -0.14 0.00 0.04 0.00 0.00 61.00 62.34 1wis s PRO 88 Cb -0.14 -2.03 0.12 0.00 0.04 0.00 0.00 34.50 32.49 1wis s PRO 88 CO 0.15 -0.81 0.73 0.34 0.04 0.00 0.00 177.00 177.45 1wis n PHE 89 N -2.20 -1.78 -3.76 0.56 7.35 -0.97 -4.94 117.46 111.72 1wis n PHE 89 Ca 0.08 0.80 -0.12 0.00 -0.76 0.00 0.00 57.45 57.45 1wis n PHE 89 Cb 0.53 -3.23 -0.12 0.00 0.35 0.00 0.00 39.48 37.01 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 -3.44 -0.01 -0.30 -2.13 2.01 -1.24 -4.99 115.64 105.53 1wis s THR 90 Ca 0.57 0.05 -0.29 0.00 0.31 0.00 0.00 61.69 62.33 1wis s THR 90 Cb -0.31 -0.39 -0.00 0.00 0.01 0.00 0.00 72.50 71.81 1wis s THR 90 CO 0.91 0.02 1.39 0.00 -0.69 0.00 0.00 174.62 176.25 1wis s TYR 92 N 4.75 0.90 0.50 0.00 1.51 -1.26 -1.24 117.35 122.51 1wis s TYR 92 Ca 0.60 -0.83 0.02 0.00 -1.01 0.00 0.00 57.07 55.86 1wis s TYR 92 Cb -0.18 -0.51 -0.02 0.00 -0.11 0.00 0.00 41.96 41.14 1wis s TYR 92 CO 0.26 -0.11 0.02 0.45 -1.11 0.00 0.00 175.55 175.06 1wis s SER 93 N -2.81 4.12 -0.23 2.29 0.15 -1.21 -4.23 113.70 111.77 1wis s SER 93 Ca 0.09 -1.59 -0.17 0.00 0.70 0.00 0.00 55.95 54.97 1wis s SER 93 Cb 0.02 0.38 0.07 0.00 -1.71 0.00 0.00 66.02 64.78 1wis s SER 93 CO -0.03 -0.80 0.59 -0.36 1.20 0.00 0.00 173.24 173.84 1wis s PHE 94 N -2.85 -0.78 0.02 3.44 0.08 -1.26 -3.87 117.98 112.76 1wis s PHE 94 Ca 0.11 1.72 0.00 0.00 0.12 0.00 0.00 56.93 58.88 1wis s PHE 94 Cb 0.03 0.36 -0.00 0.00 -0.57 0.00 0.00 43.02 42.84 1wis s PHE 94 CO 0.06 -0.39 0.00 2.89 -0.10 0.00 0.00 175.22 177.68 1wis n ARG 95 N 3.51 1.70 -4.33 0.44 1.85 -0.51 -2.68 116.66 116.63 1wis n ARG 95 Ca -0.17 -0.13 -0.17 0.00 -1.00 0.00 0.00 57.85 56.37 1wis n ARG 95 Cb 0.57 0.04 -0.10 0.00 -1.05 0.00 0.00 32.46 31.92 1wis n ARG 95 CO 0.00 0.00 0.00 -1.64 -0.01 0.00 0.00 177.63 175.98 1wis s MET 96 N -2.06 1.35 -0.24 2.89 -1.94 -1.26 -3.94 119.30 114.09 1wis s MET 96 Ca 0.00 -1.69 -0.27 0.00 -1.71 0.00 0.00 55.69 52.02 1wis s MET 96 Cb 0.00 -0.56 0.14 0.00 2.01 0.00 0.00 34.83 36.41 1wis s MET 96 CO 0.00 -0.13 1.09 1.03 -0.01 0.00 0.00 175.02 177.00 1wis s ARG 97 N -3.89 0.45 -0.06 2.03 0.52 -0.80 -3.89 118.95 113.31 1wis s ARG 97 Ca 0.30 0.34 0.03 0.00 -0.52 0.00 0.00 55.73 55.88 1wis s ARG 97 Cb 0.06 0.22 -0.02 0.00 0.52 0.00 0.00 34.95 35.72 1wis s ARG 97 CO 0.09 -0.09 -0.13 -0.65 0.02 0.00 0.00 175.30 174.54 1wis s GLN 98 N -0.32 2.66 -0.12 3.54 -0.21 -1.26 -1.03 119.66 122.91 1wis s GLN 98 Ca 0.02 -0.68 -0.00 0.00 0.02 0.00 0.00 55.36 54.72 1wis s GLN 98 Cb -0.03 -2.43 0.02 0.00 1.00 0.00 0.00 33.01 31.57 1wis s GLN 98 CO -0.05 0.57 -0.10 0.08 -2.12 0.00 0.00 175.29 173.67 1wis s VAL 99 N -0.57 1.22 0.42 1.09 1.01 -0.78 -1.97 120.40 120.83 1wis s VAL 99 Ca 0.08 -0.42 0.04 0.00 0.00 0.00 0.00 61.98 61.68 1wis s VAL 99 Cb -0.11 -1.19 -0.04 0.00 0.00 0.00 0.00 36.38 35.03 1wis s VAL 99 CO 0.01 0.40 0.04 0.54 0.00 0.00 0.00 175.10 176.09 1wis s ASN 100 N 1.58 3.43 0.59 3.32 4.22 0.29 -0.32 114.94 128.04 1wis s ASN 100 Ca 0.04 -1.53 0.30 0.00 -2.14 0.00 0.00 52.86 49.53 1wis s ASN 100 Cb -0.13 0.15 1.62 0.00 1.28 0.00 0.00 41.25 44.17 1wis s ASN 100 CO -0.08 -0.71 1.90 -0.29 -2.04 0.00 0.00 177.10 175.87 1wis h ILE 101 N 1.71 0.00 0.00 0.54 2.10 -1.90 -2.74 117.51 117.21 1wis h ILE 101 Ca -0.42 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.52 1wis h ILE 101 Cb 1.27 0.66 0.00 0.00 -1.09 0.00 0.00 36.82 37.66 1wis h ILE 101 CO 0.72 0.00 0.00 0.52 -1.08 0.00 0.00 178.15 178.31 1wis n VAL 102 N -2.75 0.00 -0.52 2.19 0.31 -1.26 -5.10 118.33 111.20 1wis n VAL 102 Ca -0.02 0.33 0.00 0.00 -0.01 0.00 0.00 64.34 64.64 1wis n VAL 102 Cb 0.29 -0.99 0.00 0.00 -0.91 0.00 0.00 33.84 32.23 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 2.17 3.04 3.16 2.92 0.00 -1.04 -5.10 105.19 110.33 1wis n GLY 103 Ca 0.00 -0.24 -0.19 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.31 1.09 0.84 2.61 2.01 -1.26 -0.55 115.64 120.07 1wis s THR 104 Ca 0.00 -1.16 -0.12 0.00 0.31 0.00 0.00 61.69 60.72 1wis s THR 104 Cb 0.00 -1.03 0.13 0.00 0.01 0.00 0.00 72.50 71.61 1wis s THR 104 CO 0.00 -0.13 1.19 -0.94 -0.69 0.00 0.00 174.62 174.05 1wis s SER 105 N -1.47 4.01 0.87 3.53 1.04 -0.83 -4.87 113.70 115.97 1wis s SER 105 Ca -0.01 0.42 -0.12 0.00 0.48 0.00 0.00 55.95 56.72 1wis s SER 105 Cb -0.09 -0.76 0.11 0.00 0.10 0.00 0.00 66.02 65.38 1wis s SER 105 CO 0.02 -2.17 1.12 -2.16 0.98 0.00 0.00 173.24 171.03 1wis s PRO 106 N -5.60 1.49 0.19 4.02 0.04 -1.26 -4.74 135.00 129.14 1wis s PRO 106 Ca 0.67 0.42 -0.30 0.00 0.04 0.00 0.00 61.00 61.82 1wis s PRO 106 Cb -0.08 -1.87 -0.08 0.00 0.04 0.00 0.00 34.50 32.52 1wis s PRO 106 CO 0.49 -1.98 1.11 -1.25 0.04 0.00 0.00 177.00 175.41 1wis s PRO 107 N -5.24 4.58 0.15 0.56 0.04 -1.26 -4.76 135.00 129.07 1wis s PRO 107 Ca 0.63 1.75 -0.06 0.00 0.04 0.00 0.00 61.00 63.36 1wis s PRO 107 Cb -0.15 -3.26 -0.06 0.00 0.04 0.00 0.00 34.50 31.07 1wis s PRO 107 CO 0.54 0.06 0.40 0.45 0.04 0.00 0.00 177.00 178.49 1wis s SER 108 N -0.15 6.52 0.44 6.66 0.15 -1.25 -5.03 113.70 121.04 1wis s SER 108 Ca 0.49 0.65 -0.20 0.00 0.70 0.00 0.00 55.95 57.59 1wis s SER 108 Cb -0.30 -2.12 -0.15 0.00 -1.71 0.00 0.00 66.02 61.74 1wis s SER 108 CO 0.36 0.05 0.07 0.00 1.20 0.00 0.00 173.24 174.92 1wis n GLN 109 N 0.15 0.06 -2.55 5.44 6.02 -1.26 -4.58 117.38 120.66 1wis n GLN 109 Ca -0.03 0.02 -0.34 0.00 -0.01 0.00 0.00 57.00 56.64 1wis n GLN 109 Cb 0.52 -1.06 -0.04 0.00 1.02 0.00 0.00 30.24 30.68 1wis n GLN 109 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1wis s PRO 110 N -1.08 3.87 0.57 -1.09 0.04 -1.26 -4.79 135.00 131.25 1wis s PRO 110 Ca 0.59 1.39 -0.15 0.00 0.04 0.00 0.00 61.00 62.87 1wis s PRO 110 Cb -0.59 -2.18 -0.05 0.00 0.04 0.00 0.00 34.50 31.72 1wis s PRO 110 CO 0.63 -0.37 1.02 -1.54 0.04 0.00 0.00 177.00 176.78 1wis s SER 111 N -1.90 6.20 0.51 6.66 1.04 -1.09 -4.97 113.70 120.14 1wis s SER 111 Ca 0.65 1.64 -0.19 0.00 0.48 0.00 0.00 55.95 58.54 1wis s SER 111 Cb -0.17 -2.51 -0.13 0.00 0.10 0.00 0.00 66.02 63.31 1wis s SER 111 CO 0.21 -0.88 0.18 0.54 0.98 0.00 0.00 173.24 174.27 1wis n ARG 112 N -1.97 0.22 -2.28 4.02 1.74 -1.26 -4.68 116.66 112.45 1wis n ARG 112 Ca 0.07 0.09 -0.41 0.00 -0.77 0.00 0.00 57.85 56.83 1wis n ARG 112 Cb 0.54 -1.28 -0.03 0.00 -1.02 0.00 0.00 32.46 30.66 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 -1.42 4.48 0.29 5.56 2.20 -1.26 -4.92 119.74 124.66 1wis s LYS 113 Ca 0.62 2.02 0.04 0.00 -0.36 0.00 0.00 55.97 58.29 1wis s LYS 113 Cb -0.50 -3.14 -0.03 0.00 -1.51 0.00 0.00 37.83 32.64 1wis s LYS 113 CO 0.61 -0.03 0.22 0.96 -0.36 0.00 0.00 175.35 176.75 1wis s ILE 114 N -0.95 0.03 -0.11 5.43 -5.25 -1.26 -5.11 121.20 113.98 1wis s ILE 114 Ca 0.48 -2.00 -0.01 0.00 -0.99 0.00 0.00 60.65 58.13 1wis s ILE 114 Cb -0.36 -2.50 0.03 0.00 2.95 0.00 0.00 42.46 42.58 1wis s ILE 114 CO 0.46 0.00 -0.04 -1.58 -1.79 0.00 0.00 174.94 171.98 1wis s GLN 115 N -3.69 1.18 0.55 0.37 0.74 -1.26 -4.08 119.66 113.46 1wis s GLN 115 Ca 0.40 -0.18 -0.20 0.00 0.05 0.00 0.00 55.36 55.43 1wis s GLN 115 Cb 0.04 -1.48 -0.06 0.00 1.10 0.00 0.00 33.01 32.62 1wis s GLN 115 CO 0.22 -0.32 1.15 0.95 -0.55 0.00 0.00 175.29 176.74 1wis s THR 116 N 1.79 3.07 1.13 -0.34 -4.23 -1.26 -4.93 115.64 110.87 1wis s THR 116 Ca 0.04 0.67 -0.16 0.00 -1.18 0.00 0.00 61.69 61.07 1wis s THR 116 Cb -0.13 -3.28 0.25 0.00 1.34 0.00 0.00 72.50 70.69 1wis s THR 116 CO -0.07 -0.14 1.08 -0.76 -0.54 0.00 0.00 174.62 174.19 1wis s LEU 117 N -3.80 0.93 0.05 4.79 1.43 -0.64 -2.28 118.68 119.17 1wis s LEU 117 Ca 0.73 1.00 -0.22 0.00 -1.03 0.00 0.00 54.13 54.60 1wis s LEU 117 Cb -0.25 -2.92 -0.06 0.00 0.03 0.00 0.00 46.19 42.99 1wis s LEU 117 CO 0.28 -3.82 0.67 -1.10 0.23 0.00 0.00 176.35 172.61 1wis s GLN 118 N -5.05 4.39 0.66 1.70 -0.21 -1.26 -2.87 119.66 117.02 1wis s GLN 118 Ca 0.68 0.91 -0.13 0.00 0.02 0.00 0.00 55.36 56.84 1wis s GLN 118 Cb -0.16 -3.32 -0.00 0.00 1.00 0.00 0.00 33.01 30.52 1wis s GLN 118 CO 0.58 0.42 1.06 0.45 -2.12 0.00 0.00 175.29 175.68 1wis s SER 119 N -0.44 5.46 -0.10 5.90 0.15 -1.26 -4.84 113.70 118.58 1wis s SER 119 Ca 0.34 1.71 -0.32 0.00 0.70 0.00 0.00 55.95 58.38 1wis s SER 119 Cb -0.20 -2.51 0.12 0.00 -1.71 0.00 0.00 66.02 61.72 1wis s SER 119 CO 0.21 -1.39 1.40 -0.83 1.20 0.00 0.00 173.24 173.83 1wis s GLY 120 N -3.39 -0.32 -1.08 9.45 0.00 -1.26 -5.02 107.32 105.70 1wis s GLY 120 Ca 0.60 0.44 -0.07 0.00 0.00 0.00 0.00 44.72 45.69 1wis s GLY 120 CO 0.48 4.65 2.52 -1.55 0.00 0.00 0.00 173.10 179.20 1wis n PRO 121 N -0.82 2.64 -2.98 2.90 -0.04 -1.26 -4.88 135.00 130.55 1wis n PRO 121 Ca 0.01 -1.66 -0.41 0.00 -0.04 0.00 0.00 63.50 61.40 1wis n PRO 121 Cb 0.60 -2.52 -0.05 0.00 -0.04 0.00 0.00 33.50 31.50 1wis n PRO 121 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1wis s SER 122 N 2.81 6.81 -0.15 3.54 0.01 -1.26 -4.95 113.70 120.52 1wis s SER 122 Ca 0.52 1.00 -0.10 0.00 1.31 0.00 0.00 55.95 58.68 1wis s SER 122 Cb 0.15 -2.41 -0.06 0.00 0.21 0.00 0.00 66.02 63.91 1wis s SER 122 CO -0.04 -0.38 -0.05 -1.28 0.41 0.00 0.00 173.24 171.90 1wis h SER 123 N 7.49 0.00 0.00 2.44 0.87 -2.07 -3.55 113.55 118.72 1wis h SER 123 Ca -0.28 -0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.16 1wis h SER 123 Cb 1.13 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.09 1wis h SER 123 CO 0.82 0.84 0.00 0.61 -0.53 0.00 0.00 176.83 178.57