#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 0.36 -3.08 1.61 3.41 -1.26 -5.09 113.62 109.58 1wis n SER 2 Ca 0.00 0.05 -0.19 0.00 -0.26 0.00 0.00 58.87 58.47 1wis n SER 2 Cb 0.00 -0.12 0.02 0.00 -0.26 0.00 0.00 64.21 63.85 1wis n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1wis n SER 3 N -3.17 -7.10 0.00 4.04 7.64 -1.26 -4.97 113.62 108.79 1wis n SER 3 Ca -0.01 0.32 0.00 0.00 1.01 0.00 0.00 58.87 60.19 1wis n SER 3 Cb 0.37 -4.07 0.00 0.00 -1.01 0.00 0.00 64.21 59.50 1wis n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wis n GLY 4 N -0.21 -0.91 3.61 0.23 0.00 -1.26 -5.14 105.19 101.51 1wis n GLY 4 Ca 0.04 0.24 -0.29 0.00 0.00 0.00 0.00 46.02 46.02 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 0.98 2.19 0.96 1.61 0.15 -1.26 -5.00 113.70 113.34 1wis s SER 5 Ca 0.00 1.59 -0.12 0.00 0.70 0.00 0.00 55.95 58.12 1wis s SER 5 Cb 0.00 -2.26 0.16 0.00 -1.71 0.00 0.00 66.02 62.22 1wis s SER 5 CO 0.00 -3.46 1.09 -0.94 1.20 0.00 0.00 173.24 171.13 1wis s SER 6 N -2.91 2.93 0.00 5.45 1.04 -1.26 -5.06 113.70 113.89 1wis s SER 6 Ca 0.66 1.41 0.00 0.00 0.48 0.00 0.00 55.95 58.50 1wis s SER 6 Cb -0.22 -2.09 0.00 0.00 0.10 0.00 0.00 66.02 63.82 1wis s SER 6 CO 0.60 -2.97 0.00 0.61 0.98 0.00 0.00 173.24 172.47 1wis n GLY 7 N -0.90 1.03 0.46 7.32 0.00 -1.26 -5.07 105.19 106.78 1wis n GLY 7 Ca 0.06 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.63 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 0.00 0.00 0.05 2.61 -2.24 -1.26 -4.87 114.28 108.57 1wis n THR 8 Ca 0.00 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.75 1wis n THR 8 Cb 0.00 -0.85 -0.01 0.00 -2.10 0.00 0.00 70.33 67.37 1wis n THR 8 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1wis h ILE 9 N 0.00 0.00 -1.28 2.28 2.04 -2.06 -3.49 117.51 115.00 1wis h ILE 9 Ca 0.00 -0.52 0.18 0.00 1.00 0.00 0.00 64.86 65.51 1wis h ILE 9 Cb 0.90 0.00 -0.25 0.00 -0.74 0.00 0.00 36.82 36.73 1wis h ILE 9 CO 0.00 0.00 0.78 -0.94 0.00 0.00 0.00 178.15 177.99 1wis s SER 10 N -4.40 -0.17 -0.35 1.72 1.04 -1.26 -5.13 113.70 105.15 1wis s SER 10 Ca -0.03 0.18 -0.07 0.00 0.48 0.00 0.00 55.95 56.52 1wis s SER 10 Cb 0.00 0.14 0.20 0.00 0.10 0.00 0.00 66.02 66.46 1wis s SER 10 CO 0.08 -0.17 1.03 -0.55 0.98 0.00 0.00 173.24 174.61 1wis s SER 11 N -1.09 -0.44 0.00 7.02 0.15 -1.26 -4.78 113.70 113.30 1wis s SER 11 Ca 0.05 -0.34 0.00 0.00 0.70 0.00 0.00 55.95 56.35 1wis s SER 11 Cb -0.01 0.56 0.00 0.00 -1.71 0.00 0.00 66.02 64.87 1wis s SER 11 CO -0.04 -0.03 0.00 0.61 1.20 0.00 0.00 173.24 174.98 1wis n GLY 12 N 3.29 -1.84 3.48 9.45 0.00 -1.26 -4.82 105.19 113.50 1wis n GLY 12 Ca 0.09 -1.32 -0.32 0.00 0.00 0.00 0.00 46.02 44.46 1wis n GLY 12 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wis s VAL 13 N 0.00 3.02 0.44 1.61 1.01 -1.26 -5.12 120.40 120.11 1wis s VAL 13 Ca 0.00 -0.86 -0.22 0.00 0.00 0.00 0.00 61.98 60.90 1wis s VAL 13 Cb 0.00 -2.22 -0.09 0.00 0.00 0.00 0.00 36.38 34.08 1wis s VAL 13 CO 0.00 0.51 1.05 -2.16 0.00 0.00 0.00 175.10 174.49 1wis s PRO 14 N -0.98 3.98 0.72 2.72 0.04 -1.26 -5.04 135.00 135.19 1wis s PRO 14 Ca 0.13 1.44 -0.11 0.00 0.04 0.00 0.00 61.00 62.50 1wis s PRO 14 Cb -0.11 -2.32 0.03 0.00 0.04 0.00 0.00 34.50 32.14 1wis s PRO 14 CO 0.02 -0.29 1.07 -1.25 0.04 0.00 0.00 177.00 176.60 1wis s PRO 15 N -2.85 2.69 0.50 0.56 0.04 -1.26 -5.07 135.00 129.60 1wis s PRO 15 Ca 0.62 0.86 0.06 0.00 0.04 0.00 0.00 61.00 62.58 1wis s PRO 15 Cb -0.19 -1.97 0.01 0.00 0.04 0.00 0.00 34.50 32.38 1wis s PRO 15 CO 0.24 -1.25 0.30 -1.21 0.04 0.00 0.00 177.00 175.13 1wis s GLU 16 N -5.08 2.27 0.55 4.56 2.02 -0.59 -4.84 118.70 117.59 1wis s GLU 16 Ca 0.59 -1.97 -0.16 0.00 0.02 0.00 0.00 54.97 53.45 1wis s GLU 16 Cb -0.14 -2.04 -0.06 0.00 0.10 0.00 0.00 34.13 31.99 1wis s GLU 16 CO 0.55 -0.43 1.02 -0.51 0.02 0.00 0.00 175.26 175.90 1wis s LEU 17 N -4.13 3.54 0.00 1.80 1.43 -1.26 -4.55 118.68 115.50 1wis s LEU 17 Ca 0.34 1.65 0.00 0.00 -1.03 0.00 0.00 54.13 55.09 1wis s LEU 17 Cb -0.01 -4.52 0.00 0.00 0.03 0.00 0.00 46.19 41.70 1wis s LEU 17 CO 0.20 -0.83 0.00 -0.81 0.23 0.00 0.00 176.35 175.14 1wis n PRO 18 N -1.84 0.04 -4.40 1.29 -0.04 -1.11 -4.47 135.00 124.47 1wis n PRO 18 Ca 0.07 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.33 1wis n PRO 18 Cb 0.54 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 -2.11 1.73 -0.16 0.55 0.00 -0.51 -4.87 107.32 101.94 1wis s GLY 19 Ca 0.00 -1.85 -0.29 0.00 0.00 0.00 0.00 44.72 42.58 1wis s GLY 19 CO 0.00 -1.79 1.28 2.56 0.00 0.00 0.00 173.10 175.15 1wis s PRO 20 N -3.76 4.23 0.48 2.90 0.04 -1.26 -4.61 135.00 133.02 1wis s PRO 20 Ca 0.29 1.68 -0.20 0.00 0.04 0.00 0.00 61.00 62.81 1wis s PRO 20 Cb 0.04 -3.77 -0.09 0.00 0.04 0.00 0.00 34.50 30.73 1wis s PRO 20 CO 0.11 -0.71 1.04 -1.25 0.04 0.00 0.00 177.00 176.23 1wis s PRO 21 N 3.50 3.81 0.00 0.56 0.04 -1.26 -4.63 135.00 137.01 1wis s PRO 21 Ca 0.55 1.36 0.00 0.00 0.04 0.00 0.00 61.00 62.95 1wis s PRO 21 Cb -0.22 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.22 1wis s PRO 21 CO 0.15 -0.42 0.00 0.25 0.04 0.00 0.00 177.00 177.02 1wis n THR 22 N -0.95 0.00 -2.57 1.26 -2.24 -1.22 -4.68 114.28 103.88 1wis n THR 22 Ca 0.09 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.67 1wis n THR 22 Cb 0.52 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 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 -0.94 -5.67 -4.73 3.42 4.13 -1.26 -2.78 115.26 107.43 1wis n ASN 23 Ca 0.00 -0.10 -0.41 0.00 1.68 0.00 0.00 54.58 55.74 1wis n ASN 23 Cb 0.00 -4.64 -0.03 0.00 -1.54 0.00 0.00 39.78 33.57 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 -5.81 4.43 0.03 3.41 2.96 -1.26 -4.25 118.68 118.19 1wis s LEU 24 Ca 0.09 2.07 -0.17 0.00 -0.22 0.00 0.00 54.13 55.90 1wis s LEU 24 Cb -0.04 -3.59 0.03 0.00 0.50 0.00 0.00 46.19 43.09 1wis s LEU 24 CO 0.11 -0.35 0.39 -0.83 -1.32 0.00 0.00 176.35 174.35 1wis s GLY 25 N 0.46 -0.24 -0.25 7.98 0.00 -1.05 -4.93 107.32 109.28 1wis s GLY 25 Ca 0.54 0.31 -0.05 0.00 0.00 0.00 0.00 44.72 45.52 1wis s GLY 25 CO 0.33 0.06 0.01 -0.42 0.00 0.00 0.00 173.10 173.08 1wis s ILE 26 N -2.19 3.59 0.26 0.90 -1.09 -1.26 -2.31 121.20 119.10 1wis s ILE 26 Ca -0.07 -0.61 0.04 0.00 -2.23 0.00 0.00 60.65 57.78 1wis s ILE 26 Cb -0.02 -2.75 -0.05 0.00 -1.58 0.00 0.00 42.46 38.06 1wis s ILE 26 CO -0.01 0.26 -0.01 -0.55 -1.23 0.00 0.00 174.94 173.41 1wis s SER 27 N 1.48 2.12 -1.33 3.58 0.15 -0.81 -4.83 113.70 114.05 1wis s SER 27 Ca 0.04 -1.24 -0.19 0.00 0.70 0.00 0.00 55.95 55.26 1wis s SER 27 Cb -0.16 -0.04 0.02 0.00 -1.71 0.00 0.00 66.02 64.13 1wis s SER 27 CO -0.01 -0.49 0.45 0.59 1.20 0.00 0.00 173.24 174.99 1wis n ASN 28 N -0.50 -2.26 -4.55 5.45 3.02 -1.26 -2.11 115.26 113.04 1wis n ASN 28 Ca -0.05 -1.23 -0.39 0.00 -0.03 0.00 0.00 54.58 52.88 1wis n ASN 28 Cb 0.64 -1.98 -0.03 0.00 -0.61 0.00 0.00 39.78 37.80 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 -3.84 3.42 0.00 2.41 1.01 -1.26 -3.60 121.20 119.34 1wis s ILE 29 Ca 0.29 0.26 0.00 0.00 0.00 0.00 0.00 60.65 61.19 1wis s ILE 29 Cb -0.15 -4.07 0.00 0.00 0.01 0.00 0.00 42.46 38.25 1wis s ILE 29 CO 0.96 -1.02 0.00 0.61 0.00 0.00 0.00 174.94 175.49 1wis n GLY 30 N 5.63 -0.96 0.06 6.18 0.00 0.22 -4.48 105.19 111.85 1wis n GLY 30 Ca 0.18 -1.68 -0.13 0.00 0.00 0.00 0.00 46.02 44.38 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 -0.00 0.00 1.61 0.13 -1.88 -2.71 132.00 129.14 1wis h PRO 31 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1wis h PRO 31 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1wis h PRO 31 CO 0.00 0.75 -0.03 0.54 -0.23 0.00 0.00 178.00 179.03 1wis n ARG 32 N -4.73 1.58 -3.77 0.86 1.74 -1.26 -3.57 116.66 107.51 1wis n ARG 32 Ca -0.09 -1.17 -0.13 0.00 -0.77 0.00 0.00 57.85 55.69 1wis n ARG 32 Cb 0.37 -0.82 -0.11 0.00 -1.02 0.00 0.00 32.46 30.87 1wis n ARG 32 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1wis s SER 33 N -0.76 -0.31 0.10 0.55 1.04 -1.26 -2.18 113.70 110.88 1wis s SER 33 Ca 0.02 0.59 -0.05 0.00 0.48 0.00 0.00 55.95 57.00 1wis s SER 33 Cb 0.02 0.59 -0.02 0.00 0.10 0.00 0.00 66.02 66.71 1wis s SER 33 CO 0.00 -0.11 0.11 0.68 0.98 0.00 0.00 173.24 174.91 1wis s VAL 34 N 0.26 0.15 -0.25 5.02 -7.23 -1.11 0.70 120.40 117.95 1wis s VAL 34 Ca -0.01 -1.54 -0.07 0.00 -1.81 0.00 0.00 61.98 58.55 1wis s VAL 34 Cb -0.03 -1.61 -0.03 0.00 0.56 0.00 0.00 36.38 35.28 1wis s VAL 34 CO -0.01 -0.66 0.07 -0.89 -0.31 0.00 0.00 175.10 173.30 1wis s THR 35 N -3.93 4.28 -0.22 5.32 2.01 -0.90 0.75 115.64 122.95 1wis s THR 35 Ca 0.11 -0.18 -0.06 0.00 0.31 0.00 0.00 61.69 61.86 1wis s THR 35 Cb 0.06 -3.00 -0.03 0.00 0.01 0.00 0.00 72.50 69.55 1wis s THR 35 CO -0.07 0.34 0.04 -0.22 -0.69 0.00 0.00 174.62 174.03 1wis s LEU 36 N 1.60 3.39 -0.06 4.42 0.20 -0.75 -1.92 118.68 125.56 1wis s LEU 36 Ca 0.06 -0.18 -0.04 0.00 0.69 0.00 0.00 54.13 54.66 1wis s LEU 36 Cb -0.15 -1.89 -0.04 0.00 -0.43 0.00 0.00 46.19 43.68 1wis s LEU 36 CO 0.03 0.02 0.14 -1.10 -0.29 0.00 0.00 176.35 175.15 1wis s GLN 37 N 1.27 3.35 0.18 1.98 -0.21 -0.98 -3.01 119.66 122.25 1wis s GLN 37 Ca 0.04 -0.27 -0.04 0.00 0.02 0.00 0.00 55.36 55.11 1wis s GLN 37 Cb -0.15 -3.08 0.02 0.00 1.00 0.00 0.00 33.01 30.80 1wis s GLN 37 CO 0.02 0.72 0.31 1.97 -2.12 0.00 0.00 175.29 176.19 1wis n PHE 38 N 1.50 -1.29 -3.71 0.91 -1.74 -1.18 -2.53 117.46 109.41 1wis n PHE 38 Ca -0.16 -1.03 -0.11 0.00 -0.56 0.00 0.00 57.45 55.60 1wis n PHE 38 Cb 0.54 0.36 -0.11 0.00 1.52 0.00 0.00 39.48 41.78 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 -2.22 0.34 -0.42 3.97 0.52 -1.12 -4.79 118.95 115.23 1wis s ARG 39 Ca 0.11 0.69 -0.29 0.00 -0.52 0.00 0.00 55.73 55.72 1wis s ARG 39 Cb -0.01 -0.04 0.01 0.00 0.52 0.00 0.00 34.95 35.43 1wis s ARG 39 CO 0.08 -0.15 1.41 -1.25 0.02 0.00 0.00 175.30 175.41 1wis s PRO 40 N 1.28 3.56 0.02 3.54 0.04 -1.26 -3.43 135.00 138.76 1wis s PRO 40 Ca -0.09 0.92 -0.26 0.00 0.04 0.00 0.00 61.00 61.61 1wis s PRO 40 Cb -0.09 -4.03 -0.17 0.00 0.04 0.00 0.00 34.50 30.26 1wis s PRO 40 CO -0.11 -1.59 1.32 0.78 0.04 0.00 0.00 177.00 177.45 1wis h GLY 41 N 12.25 -0.47 -5.09 0.56 0.00 -1.82 -3.46 103.07 105.04 1wis h GLY 41 Ca -0.27 0.17 -0.05 0.00 0.00 0.00 0.00 47.33 47.18 1wis h GLY 41 CO 1.09 -0.17 0.01 -0.47 0.00 0.00 0.00 176.54 176.99 1wis s TYR 42 N -4.96 -0.75 -0.09 5.60 5.04 -1.26 -4.98 117.35 115.95 1wis s TYR 42 Ca -0.15 1.75 -0.01 0.00 -2.44 0.00 0.00 57.07 56.22 1wis s TYR 42 Cb 0.03 0.31 -0.00 0.00 0.35 0.00 0.00 41.96 42.64 1wis s TYR 42 CO 0.56 -0.37 -0.02 -0.44 -1.34 0.00 0.00 175.55 173.94 1wis h ASP 43 N 5.58 0.00 0.00 4.32 3.32 -1.89 -1.36 116.42 126.38 1wis h ASP 43 Ca -0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.76 1wis h ASP 43 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 1wis h ASP 43 CO 0.13 0.46 0.00 0.61 -1.72 0.00 0.00 179.24 178.71 1wis n GLY 44 N 1.79 1.62 2.18 2.75 0.00 -1.26 -2.76 105.19 109.50 1wis n GLY 44 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.01 0.00 -4.66 1.61 5.02 -1.26 -1.55 118.16 117.32 1wis n LYS 45 Ca 0.00 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.04 1wis n LYS 45 Cb 0.00 -0.40 -0.17 0.00 -0.02 0.00 0.00 35.03 34.44 1wis n LYS 45 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1wis s THR 46 N -1.76 1.23 1.21 -0.18 -1.32 -1.26 -5.04 115.64 108.51 1wis s THR 46 Ca 0.00 -0.54 -0.18 0.00 -1.21 0.00 0.00 61.69 59.75 1wis s THR 46 Cb 0.00 -1.11 0.29 0.00 -1.51 0.00 0.00 72.50 70.17 1wis s THR 46 CO 0.00 0.37 0.65 -1.54 -2.21 0.00 0.00 174.62 171.89 1wis n SER 47 N 3.72 -3.64 -4.85 8.08 3.41 -1.26 -4.71 113.62 114.37 1wis n SER 47 Ca -0.22 -0.66 -0.34 0.00 -0.26 0.00 0.00 58.87 57.39 1wis n SER 47 Cb 0.52 -0.85 -0.06 0.00 -0.26 0.00 0.00 64.21 63.56 1wis n SER 47 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1wis s ILE 48 N -2.02 4.90 -0.15 -1.33 -1.09 -1.26 -4.71 121.20 115.54 1wis s ILE 48 Ca 0.50 0.70 0.18 0.00 -2.23 0.00 0.00 60.65 59.81 1wis s ILE 48 Cb -0.09 -3.70 -0.25 0.00 -1.58 0.00 0.00 42.46 36.84 1wis s ILE 48 CO 0.42 0.18 0.27 -1.20 -1.23 0.00 0.00 174.94 173.38 1wis n SER 49 N 0.60 0.16 -3.63 3.58 7.64 0.44 -4.37 113.62 118.04 1wis n SER 49 Ca -0.04 0.07 -0.08 0.00 1.01 0.00 0.00 58.87 59.83 1wis n SER 49 Cb 0.52 1.01 -0.06 0.00 -1.01 0.00 0.00 64.21 64.67 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 -2.74 0.40 -0.05 1.43 3.00 -0.96 -0.83 118.95 119.20 1wis s ARG 50 Ca -0.08 0.34 -0.05 0.00 -1.00 0.00 0.00 55.73 54.94 1wis s ARG 50 Cb 0.08 0.19 -0.04 0.00 0.00 0.00 0.00 34.95 35.18 1wis s ARG 50 CO 0.84 -0.07 0.18 -1.58 0.00 0.00 0.00 175.30 174.67 1wis s TRP 51 N -0.22 3.57 -0.11 5.12 0.52 0.20 -0.93 118.94 127.09 1wis s TRP 51 Ca 0.03 0.45 -0.00 0.00 0.02 0.00 0.00 56.10 56.61 1wis s TRP 51 Cb -0.04 -1.89 -0.02 0.00 -1.15 0.00 0.00 33.47 30.37 1wis s TRP 51 CO -0.07 0.68 -0.10 -0.51 0.02 0.00 0.00 176.95 176.97 1wis s LEU 52 N -1.57 2.90 -0.28 2.99 1.02 -0.49 -1.56 118.68 121.70 1wis s LEU 52 Ca 0.23 -0.22 0.01 0.00 0.02 0.00 0.00 54.13 54.17 1wis s LEU 52 Cb -0.12 -1.65 0.08 0.00 0.02 0.00 0.00 46.19 44.52 1wis s LEU 52 CO 0.13 0.23 0.02 -0.69 0.02 0.00 0.00 176.35 176.06 1wis s VAL 53 N -0.01 1.36 0.32 -1.59 1.01 0.27 -0.46 120.40 121.30 1wis s VAL 53 Ca -0.02 -1.43 0.07 0.00 0.00 0.00 0.00 61.98 60.59 1wis s VAL 53 Cb -0.14 -1.85 -0.01 0.00 0.00 0.00 0.00 36.38 34.38 1wis s VAL 53 CO 0.04 -0.40 0.43 -1.61 0.00 0.00 0.00 175.10 173.55 1wis s GLU 54 N 1.42 3.08 0.16 2.72 2.02 -1.25 -0.87 118.70 125.98 1wis s GLU 54 Ca 0.03 -1.04 -0.13 0.00 0.02 0.00 0.00 54.97 53.85 1wis s GLU 54 Cb -0.18 -2.77 0.01 0.00 0.10 0.00 0.00 34.13 31.29 1wis s GLU 54 CO -0.13 0.11 0.38 0.00 0.02 0.00 0.00 175.26 175.64 1wis s ALA 55 N -2.18 -0.49 -0.02 5.21 0.00 -0.74 -0.85 121.76 122.69 1wis s ALA 55 Ca 0.43 -0.50 0.08 0.00 0.00 0.00 0.00 51.96 51.97 1wis s ALA 55 Cb -0.09 0.80 -0.02 0.00 0.00 0.00 0.00 23.12 23.81 1wis s ALA 55 CO 0.30 -0.69 -0.26 -1.14 0.00 0.00 0.00 175.76 173.97 1wis s GLN 56 N -3.90 2.08 -0.04 0.00 0.74 -1.24 -3.48 119.66 113.81 1wis s GLN 56 Ca 0.11 -0.93 -0.29 0.00 0.05 0.00 0.00 55.36 54.29 1wis s GLN 56 Cb 0.02 -2.02 -0.02 0.00 1.10 0.00 0.00 33.01 32.08 1wis s GLN 56 CO -0.04 0.55 0.97 0.08 -0.55 0.00 0.00 175.29 176.31 1wis s VAL 57 N -0.62 4.85 0.00 1.34 1.01 -1.26 -3.13 120.40 122.59 1wis s VAL 57 Ca 0.10 2.01 0.00 0.00 0.00 0.00 0.00 61.98 64.09 1wis s VAL 57 Cb -0.10 -4.30 0.00 0.00 0.00 0.00 0.00 36.38 31.98 1wis s VAL 57 CO -0.01 0.11 0.00 0.61 0.00 0.00 0.00 175.10 175.81 1wis n GLY 58 N 2.99 0.51 3.32 4.51 0.00 -0.36 -4.40 105.19 111.76 1wis n GLY 58 Ca 0.07 0.50 -0.55 0.00 0.00 0.00 0.00 46.02 46.03 1wis n GLY 58 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1wis n VAL 59 N 0.00 0.01 -3.63 1.61 0.31 -1.26 -4.74 118.33 110.63 1wis n VAL 59 Ca 0.00 -0.02 -0.35 0.00 -0.01 0.00 0.00 64.34 63.96 1wis n VAL 59 Cb 0.00 -0.58 -0.07 0.00 -0.91 0.00 0.00 33.84 32.28 1wis n VAL 59 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1wis n VAL 60 N 6.76 2.97 -3.69 2.52 0.31 -1.26 -4.92 118.33 121.03 1wis n VAL 60 Ca 0.56 -5.13 -0.02 0.00 -0.01 0.00 0.00 64.34 59.74 1wis n VAL 60 Cb -0.01 -2.34 -0.01 0.00 -0.91 0.00 0.00 33.84 30.57 1wis n VAL 60 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1wis s GLY 61 N -0.43 -0.31 1.05 2.92 0.00 -1.26 -5.16 107.32 104.13 1wis s GLY 61 Ca 0.28 0.41 -0.23 0.00 0.00 0.00 0.00 44.72 45.18 1wis s GLY 61 CO -0.12 0.08 -0.84 -1.84 0.00 0.00 0.00 173.10 170.39 1wis n GLU 62 N -0.45 -0.76 0.00 2.90 -0.00 -1.26 -3.14 120.64 117.93 1wis n GLU 62 Ca -0.07 -0.21 0.00 0.00 -0.00 0.00 0.00 57.16 56.88 1wis n GLU 62 Cb 0.61 -1.31 0.00 0.00 -0.00 0.00 0.00 31.44 30.75 1wis n GLU 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1wis n GLY 63 N 2.85 2.14 3.85 -1.84 0.00 -1.26 -4.97 105.19 105.95 1wis n GLY 63 Ca -0.01 -0.36 -0.30 0.00 0.00 0.00 0.00 46.02 45.35 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 2.61 0.20 1.61 0.41 -1.19 -5.07 118.70 117.28 1wis s GLU 64 Ca 0.00 0.58 0.05 0.00 -0.41 0.00 0.00 54.97 55.19 1wis s GLU 64 Cb 0.00 -1.98 -0.03 0.00 -1.78 0.00 0.00 34.13 30.33 1wis s GLU 64 CO 0.00 -1.24 0.25 -1.83 -0.49 0.00 0.00 175.26 171.95 1wis s GLU 65 N -5.25 3.19 -0.28 1.61 -1.05 -1.26 -5.01 118.70 110.65 1wis s GLU 65 Ca 0.59 -0.82 -0.05 0.00 -0.15 0.00 0.00 54.97 54.54 1wis s GLU 65 Cb -0.13 -2.77 0.02 0.00 -0.44 0.00 0.00 34.13 30.81 1wis s GLU 65 CO 0.53 0.46 0.03 -1.58 0.95 0.00 0.00 175.26 175.64 1wis s TRP 66 N -1.91 3.13 0.22 4.83 0.52 -1.26 -4.82 118.94 119.65 1wis s TRP 66 Ca 0.33 -1.27 0.06 0.00 0.02 0.00 0.00 56.10 55.24 1wis s TRP 66 Cb -0.09 -2.18 -0.04 0.00 -1.15 0.00 0.00 33.47 30.01 1wis s TRP 66 CO 0.27 -0.65 0.21 -0.51 0.02 0.00 0.00 176.95 176.28 1wis s LEU 67 N 1.42 3.92 0.50 2.99 1.43 -1.23 -4.92 118.68 122.80 1wis s LEU 67 Ca 0.01 -0.15 -0.18 0.00 -1.03 0.00 0.00 54.13 52.78 1wis s LEU 67 Cb -0.17 -2.48 -0.08 0.00 0.03 0.00 0.00 46.19 43.49 1wis s LEU 67 CO -0.00 -0.01 1.00 -0.22 0.23 0.00 0.00 176.35 177.35 1wis s LEU 68 N -3.64 3.73 0.00 1.79 2.96 -1.26 -1.80 118.68 120.45 1wis s LEU 68 Ca 0.33 1.71 0.00 0.00 -0.22 0.00 0.00 54.13 55.95 1wis s LEU 68 Cb -0.09 -4.53 0.00 0.00 0.50 0.00 0.00 46.19 42.07 1wis s LEU 68 CO 0.25 -0.67 0.00 2.30 -1.32 0.00 0.00 176.35 176.92 1wis n ILE 69 N -1.30 0.00 -4.75 6.68 -5.35 -0.05 -4.85 119.36 109.74 1wis n ILE 69 Ca 0.08 0.00 -0.24 0.00 -0.27 0.00 0.00 62.75 62.32 1wis n ILE 69 Cb 0.54 -0.52 -0.15 0.00 -1.74 0.00 0.00 39.64 37.76 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 -1.81 1.44 -0.15 4.28 5.04 -0.55 -4.90 115.29 118.64 1wis s HIS 70 Ca 0.00 -0.28 -0.06 0.00 -1.54 0.00 0.00 55.06 53.18 1wis s HIS 70 Cb 0.00 -0.92 0.06 0.00 0.04 0.00 0.00 32.58 31.76 1wis s HIS 70 CO 0.00 -0.02 0.33 1.14 -2.34 0.00 0.00 174.74 173.85 1wis s GLN 71 N -0.41 0.26 -0.33 2.88 -2.07 -1.26 0.94 119.66 119.67 1wis s GLN 71 Ca 0.06 0.78 -0.11 0.00 -1.82 0.00 0.00 55.36 54.27 1wis s GLN 71 Cb -0.06 0.03 -0.00 0.00 -1.09 0.00 0.00 33.01 31.89 1wis s GLN 71 CO -0.01 -0.22 0.18 -1.17 -1.32 0.00 0.00 175.29 172.76 1wis s LEU 72 N 1.94 4.32 0.19 2.60 2.96 -0.60 -4.90 118.68 125.20 1wis s LEU 72 Ca -0.05 -0.61 0.01 0.00 -0.22 0.00 0.00 54.13 53.26 1wis s LEU 72 Cb -0.11 -2.03 -0.04 0.00 0.50 0.00 0.00 46.19 44.51 1wis s LEU 72 CO -0.11 -0.25 0.36 -0.44 -1.32 0.00 0.00 176.35 174.59 1wis s SER 73 N 1.62 6.36 -0.25 3.68 0.01 -1.26 0.61 113.70 124.47 1wis s SER 73 Ca 0.04 0.29 -0.22 0.00 1.31 0.00 0.00 55.95 57.37 1wis s SER 73 Cb -0.18 -1.96 0.03 0.00 0.21 0.00 0.00 66.02 64.13 1wis s SER 73 CO 0.07 -0.02 0.37 -3.20 0.41 0.00 0.00 173.24 170.87 1wis n ASN 74 N -0.76 -5.97 0.00 2.44 5.15 -0.01 -4.94 115.26 111.18 1wis n ASN 74 Ca -0.06 0.09 0.00 0.00 -0.60 0.00 0.00 54.58 54.01 1wis n ASN 74 Cb 0.54 -1.62 0.00 0.00 -0.53 0.00 0.00 39.78 38.17 1wis n ASN 74 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1wis n GLU 75 N 0.46 0.00 0.00 1.20 2.13 -1.26 -5.00 120.64 118.17 1wis n GLU 75 Ca -0.05 0.00 0.12 0.00 0.66 0.00 0.00 57.16 57.89 1wis n GLU 75 Cb 0.60 0.00 0.65 0.00 0.27 0.00 0.00 31.44 32.97 1wis n GLU 75 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 1wis n PRO 76 N 0.00 0.56 -2.24 5.31 -0.04 -1.26 -3.13 135.00 134.20 1wis n PRO 76 Ca 0.00 0.03 -0.30 0.00 -0.04 0.00 0.00 63.50 63.19 1wis n PRO 76 Cb 0.00 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 31.98 1wis n PRO 76 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1wis n ASP 77 N -1.13 5.58 -3.94 3.54 9.92 -1.26 -4.91 116.55 124.35 1wis n ASP 77 Ca 0.15 -3.76 -0.31 0.00 -0.53 0.00 0.00 54.79 50.35 1wis n ASP 77 Cb 0.13 -0.62 -0.15 0.00 -0.64 0.00 0.00 41.12 39.83 1wis n ASP 77 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1wis s ALA 78 N -3.70 2.57 0.27 2.24 0.00 -1.18 -4.96 121.76 117.00 1wis s ALA 78 Ca 0.50 -2.35 -0.01 0.00 0.00 0.00 0.00 51.96 50.10 1wis s ALA 78 Cb 0.42 -1.89 0.38 0.00 0.00 0.00 0.00 23.12 22.02 1wis s ALA 78 CO -0.21 -1.70 1.78 0.00 0.00 0.00 0.00 175.76 175.62 1wis h ARG 79 N 7.68 0.74 -4.23 0.00 2.47 -1.91 -3.45 114.38 115.68 1wis h ARG 79 Ca -0.06 -0.19 -0.16 0.00 -1.26 0.00 0.00 59.98 58.30 1wis h ARG 79 Cb 1.01 -0.09 -0.13 0.00 -1.65 0.00 0.00 29.97 29.11 1wis h ARG 79 CO 0.51 0.76 -0.47 -1.54 0.56 0.00 0.00 179.97 179.79 1wis s SER 80 N -6.66 0.12 0.11 7.04 1.04 -1.26 -3.11 113.70 110.98 1wis s SER 80 Ca -0.09 -1.15 -0.25 0.00 0.48 0.00 0.00 55.95 54.95 1wis s SER 80 Cb 0.15 0.41 0.07 0.00 0.10 0.00 0.00 66.02 66.75 1wis s SER 80 CO 0.80 -0.87 0.63 0.00 0.98 0.00 0.00 173.24 174.78 1wis s MET 81 N -4.06 1.22 0.10 4.02 0.23 -1.16 -5.03 119.30 114.61 1wis s MET 81 Ca 0.27 -0.31 -0.21 0.00 -1.03 0.00 0.00 55.69 54.41 1wis s MET 81 Cb 0.05 0.56 -0.07 0.00 -1.53 0.00 0.00 34.83 33.84 1wis s MET 81 CO 0.06 -0.51 0.63 -2.00 -2.03 0.00 0.00 175.02 171.17 1wis s GLU 82 N -3.20 4.30 -0.54 3.16 2.12 -1.26 -1.81 118.70 121.47 1wis s GLU 82 Ca -0.01 0.85 -0.02 0.00 0.36 0.00 0.00 54.97 56.15 1wis s GLU 82 Cb -0.01 -3.23 0.14 0.00 0.26 0.00 0.00 34.13 31.29 1wis s GLU 82 CO -0.08 0.62 0.33 0.08 -0.54 0.00 0.00 175.26 175.66 1wis s VAL 83 N -1.13 3.36 0.00 3.70 1.01 0.23 -4.93 120.40 122.64 1wis s VAL 83 Ca 0.31 -2.73 0.00 0.00 0.00 0.00 0.00 61.98 59.56 1wis s VAL 83 Cb -0.20 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 32.92 1wis s VAL 83 CO 0.21 -0.80 0.00 -0.81 0.00 0.00 0.00 175.10 173.70 1wis n PRO 84 N 3.78 0.67 -3.79 2.72 -0.04 -1.26 -2.74 135.00 134.34 1wis n PRO 84 Ca 0.04 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.18 1wis n PRO 84 Cb 0.38 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 33.86 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 -0.65 -5.02 -4.31 3.54 2.03 -0.98 -4.83 116.55 106.33 1wis n ASP 85 Ca 0.00 -1.02 -0.30 0.00 0.52 0.00 0.00 54.79 53.99 1wis n ASP 85 Cb 0.00 -2.48 -0.16 0.00 -0.72 0.00 0.00 41.12 37.77 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 -6.16 2.07 -0.37 -2.67 1.43 -0.93 -5.00 118.68 107.05 1wis s LEU 86 Ca 0.31 -0.48 -0.24 0.00 -1.03 0.00 0.00 54.13 52.68 1wis s LEU 86 Cb -0.14 -1.30 0.01 0.00 0.03 0.00 0.00 46.19 44.79 1wis s LEU 86 CO 0.90 0.30 0.83 0.20 0.23 0.00 0.00 176.35 178.81 1wis s ASN 87 N -0.71 6.59 0.49 2.29 0.01 -1.26 -4.37 114.94 117.97 1wis s ASN 87 Ca 0.10 0.41 -0.20 0.00 -0.71 0.00 0.00 52.86 52.47 1wis s ASN 87 Cb -0.10 -2.42 -0.08 0.00 0.41 0.00 0.00 41.25 39.06 1wis s ASN 87 CO -0.00 -0.78 1.04 -2.16 -1.51 0.00 0.00 177.10 173.68 1wis s PRO 88 N 3.24 3.79 -1.30 -0.60 0.04 -1.23 -3.58 135.00 135.35 1wis s PRO 88 Ca 0.34 1.35 -0.05 0.00 0.04 0.00 0.00 61.00 62.67 1wis s PRO 88 Cb -0.13 -2.09 0.01 0.00 0.04 0.00 0.00 34.50 32.33 1wis s PRO 88 CO 0.18 -0.44 0.72 0.34 0.04 0.00 0.00 177.00 177.84 1wis n PHE 89 N -1.00 -2.03 -3.76 0.56 7.35 -1.04 -4.89 117.46 112.66 1wis n PHE 89 Ca 0.09 0.62 -0.12 0.00 -0.76 0.00 0.00 57.45 57.28 1wis n PHE 89 Cb 0.53 -4.25 -0.12 0.00 0.35 0.00 0.00 39.48 35.99 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 -3.17 -0.01 -0.31 -2.13 2.01 -1.23 -5.00 115.64 105.79 1wis s THR 90 Ca 0.36 0.05 -0.29 0.00 0.31 0.00 0.00 61.69 62.12 1wis s THR 90 Cb -0.16 -0.41 -0.00 0.00 0.01 0.00 0.00 72.50 71.94 1wis s THR 90 CO 0.44 0.02 1.38 0.00 -0.69 0.00 0.00 174.62 175.77 1wis s TYR 92 N 4.73 1.12 0.48 0.00 2.02 -1.25 -1.23 117.35 123.22 1wis s TYR 92 Ca 0.60 -0.84 0.04 0.00 -0.37 0.00 0.00 57.07 56.49 1wis s TYR 92 Cb -0.17 -0.60 -0.03 0.00 -0.40 0.00 0.00 41.96 40.75 1wis s TYR 92 CO 0.26 -0.03 0.04 0.45 -1.57 0.00 0.00 175.55 174.69 1wis s SER 93 N -3.12 4.09 -0.16 2.29 0.15 -1.18 -3.78 113.70 111.98 1wis s SER 93 Ca 0.15 -1.51 -0.19 0.00 0.70 0.00 0.00 55.95 55.10 1wis s SER 93 Cb 0.04 0.17 0.05 0.00 -1.71 0.00 0.00 66.02 64.57 1wis s SER 93 CO -0.01 -0.72 0.51 -0.36 1.20 0.00 0.00 173.24 173.86 1wis s PHE 94 N -2.80 -0.54 0.00 3.44 0.08 -1.26 -3.68 117.98 113.22 1wis s PHE 94 Ca 0.18 1.26 0.00 0.00 0.12 0.00 0.00 56.93 58.49 1wis s PHE 94 Cb 0.04 0.20 0.00 0.00 -0.57 0.00 0.00 43.02 42.70 1wis s PHE 94 CO 0.10 -0.31 0.00 2.89 -0.10 0.00 0.00 175.22 177.79 1wis n ARG 95 N 2.49 0.91 -4.05 0.44 1.85 -0.03 -2.47 116.66 115.80 1wis n ARG 95 Ca -0.15 0.00 -0.07 0.00 -1.00 0.00 0.00 57.85 56.63 1wis n ARG 95 Cb 0.56 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 31.88 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 -1.98 0.65 0.07 2.89 -1.94 -1.26 -3.96 119.30 113.77 1wis s MET 96 Ca 0.00 -1.17 -0.27 0.00 -1.71 0.00 0.00 55.69 52.55 1wis s MET 96 Cb 0.00 0.23 0.07 0.00 2.01 0.00 0.00 34.83 37.14 1wis s MET 96 CO 0.00 -0.14 0.64 1.03 -0.01 0.00 0.00 175.02 176.54 1wis s ARG 97 N -3.88 1.18 -0.05 2.03 0.52 0.39 -3.54 118.95 115.59 1wis s ARG 97 Ca 0.06 -0.15 0.06 0.00 -0.52 0.00 0.00 55.73 55.18 1wis s ARG 97 Cb 0.07 0.55 -0.01 0.00 0.52 0.00 0.00 34.95 36.08 1wis s ARG 97 CO -0.10 -0.46 -0.24 -0.65 0.02 0.00 0.00 175.30 173.87 1wis s GLN 98 N -2.64 2.51 -0.14 3.54 -0.21 -1.26 -1.39 119.66 120.07 1wis s GLN 98 Ca -0.04 -0.89 0.01 0.00 0.02 0.00 0.00 55.36 54.45 1wis s GLN 98 Cb -0.01 -2.17 0.02 0.00 1.00 0.00 0.00 33.01 31.85 1wis s GLN 98 CO -0.03 0.41 -0.15 0.08 -2.12 0.00 0.00 175.29 173.49 1wis s VAL 99 N -0.24 1.57 0.40 1.09 1.01 -0.11 -0.92 120.40 123.20 1wis s VAL 99 Ca -0.01 -0.65 0.05 0.00 0.00 0.00 0.00 61.98 61.37 1wis s VAL 99 Cb -0.13 -1.47 -0.02 0.00 0.00 0.00 0.00 36.38 34.76 1wis s VAL 99 CO 0.03 0.46 0.18 0.54 0.00 0.00 0.00 175.10 176.31 1wis s ASN 100 N 1.37 2.60 0.34 3.32 2.20 -0.11 0.17 114.94 124.83 1wis s ASN 100 Ca 0.02 -1.74 0.23 0.00 -0.94 0.00 0.00 52.86 50.43 1wis s ASN 100 Cb -0.13 0.59 1.25 0.00 -2.00 0.00 0.00 41.25 40.96 1wis s ASN 100 CO -0.09 -1.01 1.71 -0.29 -2.94 0.00 0.00 177.10 174.48 1wis h ILE 101 N 1.83 0.00 0.00 0.54 6.09 -1.93 -2.61 117.51 121.43 1wis h ILE 101 Ca -0.31 -0.01 0.00 0.00 -1.37 0.00 0.00 64.86 63.17 1wis h ILE 101 Cb 1.26 0.53 0.00 0.00 0.47 0.00 0.00 36.82 39.08 1wis h ILE 101 CO 0.49 0.00 -0.01 0.58 -3.07 0.00 0.00 178.15 176.14 1wis h VAL 102 N 0.00 0.00 -0.02 2.19 2.07 -1.88 -3.50 116.25 115.11 1wis h VAL 102 Ca 0.00 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 66.89 1wis h VAL 102 Cb 0.01 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.78 1wis h VAL 102 CO 0.00 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.20 1wis n GLY 103 N 1.86 1.24 3.04 2.17 0.00 -0.98 -4.99 105.19 107.52 1wis n GLY 103 Ca -0.00 -0.32 -0.31 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.15 1.84 1.06 2.61 2.01 -1.26 -0.93 115.64 119.82 1wis s THR 104 Ca 0.00 -1.13 -0.16 0.00 0.31 0.00 0.00 61.69 60.71 1wis s THR 104 Cb 0.00 -1.86 0.08 0.00 0.01 0.00 0.00 72.50 70.73 1wis s THR 104 CO 0.00 0.20 0.16 -1.54 -0.69 0.00 0.00 174.62 172.75 1wis n SER 105 N 4.62 -2.28 -4.38 3.53 3.41 -0.10 -4.95 113.62 113.47 1wis n SER 105 Ca -0.16 0.04 -0.29 0.00 -0.26 0.00 0.00 58.87 58.20 1wis n SER 105 Cb 0.46 -1.05 0.17 0.00 -0.26 0.00 0.00 64.21 63.54 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 -3.52 0.43 0.20 4.33 0.04 -1.26 -4.63 135.00 130.60 1wis s PRO 106 Ca 0.56 0.03 -0.30 0.00 0.04 0.00 0.00 61.00 61.33 1wis s PRO 106 Cb -0.15 -1.78 -0.08 0.00 0.04 0.00 0.00 34.50 32.52 1wis s PRO 106 CO 0.67 -2.63 1.11 -1.25 0.04 0.00 0.00 177.00 174.94 1wis s PRO 107 N -5.47 4.60 0.43 0.56 0.04 -1.26 -4.77 135.00 129.13 1wis s PRO 107 Ca 0.68 1.75 0.01 0.00 0.04 0.00 0.00 61.00 63.48 1wis s PRO 107 Cb -0.11 -3.25 -0.01 0.00 0.04 0.00 0.00 34.50 31.18 1wis s PRO 107 CO 0.54 0.10 0.64 0.45 0.04 0.00 0.00 177.00 178.77 1wis s SER 108 N -0.29 5.87 0.15 6.66 0.15 -1.23 -5.01 113.70 120.00 1wis s SER 108 Ca 0.48 0.25 -0.34 0.00 0.70 0.00 0.00 55.95 57.04 1wis s SER 108 Cb -0.30 -1.53 -0.15 0.00 -1.71 0.00 0.00 66.02 62.33 1wis s SER 108 CO 0.36 -0.65 1.30 0.00 1.20 0.00 0.00 173.24 175.45 1wis n GLN 109 N -2.02 1.39 -2.28 5.44 6.02 -1.26 -4.68 117.38 119.99 1wis n GLN 109 Ca 0.01 0.50 -0.33 0.00 -0.01 0.00 0.00 57.00 57.17 1wis n GLN 109 Cb 0.58 -2.10 -0.01 0.00 1.02 0.00 0.00 30.24 29.73 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 0.03 3.57 0.62 -1.09 0.04 -1.26 -4.82 135.00 132.08 1wis s PRO 110 Ca 0.77 1.25 -0.12 0.00 0.04 0.00 0.00 61.00 62.94 1wis s PRO 110 Cb -0.83 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 31.60 1wis s PRO 110 CO 0.49 -0.61 1.03 -1.54 0.04 0.00 0.00 177.00 176.40 1wis s SER 111 N -2.46 6.14 0.85 6.66 1.04 -1.03 -5.00 113.70 119.90 1wis s SER 111 Ca 0.65 1.49 -0.13 0.00 0.48 0.00 0.00 55.95 58.44 1wis s SER 111 Cb -0.16 -2.48 0.08 0.00 0.10 0.00 0.00 66.02 63.56 1wis s SER 111 CO 0.29 -0.93 0.97 0.54 0.98 0.00 0.00 173.24 175.09 1wis n ARG 112 N -2.61 -0.05 -1.87 4.02 1.74 -1.26 -4.65 116.66 111.97 1wis n ARG 112 Ca 0.06 0.05 -0.43 0.00 -0.77 0.00 0.00 57.85 56.77 1wis n ARG 112 Cb 0.54 -2.25 -0.03 0.00 -1.02 0.00 0.00 32.46 29.70 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 -4.00 3.63 0.36 5.56 2.20 -1.26 -4.90 119.74 121.32 1wis s LYS 113 Ca 0.68 1.92 0.08 0.00 -0.36 0.00 0.00 55.97 58.29 1wis s LYS 113 Cb -0.27 -4.17 -0.03 0.00 -1.51 0.00 0.00 37.83 31.85 1wis s LYS 113 CO 0.56 -1.52 0.29 0.96 -0.36 0.00 0.00 175.35 175.28 1wis s ILE 114 N 6.11 3.24 -0.20 5.43 -5.25 -1.25 -5.03 121.20 124.25 1wis s ILE 114 Ca 0.84 -1.42 0.01 0.00 -0.99 0.00 0.00 60.65 59.10 1wis s ILE 114 Cb -0.30 -3.11 0.04 0.00 2.95 0.00 0.00 42.46 42.03 1wis s ILE 114 CO 0.34 -0.13 -0.14 -1.58 -1.79 0.00 0.00 174.94 171.64 1wis s GLN 115 N -4.00 2.41 0.53 0.37 0.74 -1.26 -3.80 119.66 114.64 1wis s GLN 115 Ca 0.42 -0.90 -0.19 0.00 0.05 0.00 0.00 55.36 54.74 1wis s GLN 115 Cb -0.05 -2.52 -0.07 0.00 1.10 0.00 0.00 33.01 31.48 1wis s GLN 115 CO 0.26 -0.36 1.07 0.95 -0.55 0.00 0.00 175.29 176.66 1wis s THR 116 N 1.32 3.55 1.22 -0.34 -4.23 -1.26 -4.96 115.64 110.95 1wis s THR 116 Ca -0.00 0.93 -0.17 0.00 -1.18 0.00 0.00 61.69 61.26 1wis s THR 116 Cb -0.16 -3.37 0.29 0.00 1.34 0.00 0.00 72.50 70.61 1wis s THR 116 CO -0.09 -0.25 1.03 -0.76 -0.54 0.00 0.00 174.62 174.01 1wis s LEU 117 N -3.78 0.38 0.21 4.79 1.43 -1.02 -2.54 118.68 118.15 1wis s LEU 117 Ca 0.69 1.01 -0.11 0.00 -1.03 0.00 0.00 54.13 54.69 1wis s LEU 117 Cb -0.19 -2.79 -0.07 0.00 0.03 0.00 0.00 46.19 43.17 1wis s LEU 117 CO 0.25 -4.32 0.56 -1.10 0.23 0.00 0.00 176.35 171.98 1wis s GLN 118 N -4.98 3.87 -0.02 1.70 -0.21 -1.26 -2.48 119.66 116.27 1wis s GLN 118 Ca 0.69 0.37 -0.02 0.00 0.02 0.00 0.00 55.36 56.41 1wis s GLN 118 Cb -0.16 -2.71 -0.04 0.00 1.00 0.00 0.00 33.01 31.09 1wis s GLN 118 CO 0.59 0.35 0.14 0.45 -2.12 0.00 0.00 175.29 174.70 1wis s SER 119 N -2.17 6.10 0.00 5.90 0.15 -1.26 -4.85 113.70 117.58 1wis s SER 119 Ca 0.45 0.28 0.00 0.00 0.70 0.00 0.00 55.95 57.39 1wis s SER 119 Cb -0.12 -1.86 0.00 0.00 -1.71 0.00 0.00 66.02 62.32 1wis s SER 119 CO 0.20 0.29 0.00 0.61 1.20 0.00 0.00 173.24 175.54 1wis n GLY 120 N 1.18 2.88 2.39 9.45 0.00 -1.26 -4.82 105.19 115.01 1wis n GLY 120 Ca -0.13 -2.03 -0.24 0.00 0.00 0.00 0.00 46.02 43.63 1wis n GLY 120 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wis n PRO 121 N -0.65 2.44 -1.38 1.61 -0.04 -1.26 -4.93 135.00 130.80 1wis n PRO 121 Ca 0.00 -1.50 -0.46 0.00 -0.04 0.00 0.00 63.50 61.49 1wis n PRO 121 Cb 0.00 -2.41 -0.02 0.00 -0.04 0.00 0.00 33.50 31.03 1wis n PRO 121 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wis n SER 122 N 3.59 -1.63 -3.38 3.54 2.88 -1.26 -4.94 113.62 112.42 1wis n SER 122 Ca 0.52 1.04 -0.27 0.00 -1.33 0.00 0.00 58.87 58.84 1wis n SER 122 Cb 0.31 -0.94 -0.10 0.00 -0.75 0.00 0.00 64.21 62.73 1wis n SER 122 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wis s SER 123 N -0.99 1.54 0.00 -3.46 0.15 -1.26 -5.24 113.70 104.44 1wis s SER 123 Ca 0.63 -2.90 0.00 0.00 0.70 0.00 0.00 55.95 54.37 1wis s SER 123 Cb -0.84 -0.36 0.00 0.00 -1.71 0.00 0.00 66.02 63.11 1wis s SER 123 CO 0.58 -0.19 0.28 0.61 1.20 0.00 0.00 173.24 175.72