#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wsb s LYS 3 N 0.00 3.21 0.03 0.00 1.02 -1.26 -0.35 119.74 122.38 1wsb s LYS 3 Ca 0.00 -0.74 0.06 0.00 0.02 0.00 0.00 55.97 55.31 1wsb s LYS 3 Cb 0.00 -2.70 -0.03 0.00 -0.52 0.00 0.00 37.83 34.58 1wsb s LYS 3 CO 0.00 -0.08 -0.14 0.00 -0.92 0.00 0.00 175.35 174.21 1wsb s ALA 4 N 1.06 2.73 -0.06 5.17 0.00 0.42 -0.92 121.76 130.16 1wsb s ALA 4 Ca -0.00 -1.13 0.05 0.00 0.00 0.00 0.00 51.96 50.87 1wsb s ALA 4 Cb -0.15 -0.86 -0.02 0.00 0.00 0.00 0.00 23.12 22.09 1wsb s ALA 4 CO -0.04 0.59 -0.21 -1.17 0.00 0.00 0.00 175.76 174.93 1wsb s LEU 5 N -1.42 2.30 -0.13 0.00 2.96 0.17 -0.42 118.68 122.14 1wsb s LEU 5 Ca 0.15 -0.41 0.01 0.00 -0.22 0.00 0.00 54.13 53.67 1wsb s LEU 5 Cb -0.11 -1.44 0.02 0.00 0.50 0.00 0.00 46.19 45.16 1wsb s LEU 5 CO 0.06 0.27 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.56 1wsb s ILE 6 N -0.31 1.68 -0.14 6.68 1.01 0.38 -0.53 121.20 129.97 1wsb s ILE 6 Ca 0.01 -0.73 0.02 0.00 0.00 0.00 0.00 60.65 59.96 1wsb s ILE 6 Cb -0.13 -1.53 0.01 0.00 0.01 0.00 0.00 42.46 40.83 1wsb s ILE 6 CO 0.02 0.48 -0.21 -0.69 0.00 0.00 0.00 174.94 174.54 1wsb s VAL 7 N 1.14 1.99 0.13 2.92 1.01 -0.46 0.27 120.40 127.40 1wsb s VAL 7 Ca -0.02 -0.93 0.08 0.00 0.00 0.00 0.00 61.98 61.11 1wsb s VAL 7 Cb -0.14 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.43 1wsb s VAL 7 CO -0.06 0.53 -0.20 -0.72 0.00 0.00 0.00 175.10 174.66 1wsb s TYR 8 N 0.92 1.81 -0.18 5.22 -0.85 -0.66 0.10 117.35 123.72 1wsb s TYR 8 Ca -0.05 -0.44 0.00 0.00 -0.52 0.00 0.00 57.07 56.06 1wsb s TYR 8 Cb -0.15 -0.95 0.01 0.00 0.38 0.00 0.00 41.96 41.26 1wsb s TYR 8 CO -0.04 0.27 -0.17 0.20 -1.52 0.00 0.00 175.55 174.29 1wsb s GLY 9 N -2.30 1.43 -0.07 5.49 0.00 0.07 -0.03 107.32 111.91 1wsb s GLY 9 Ca 0.11 -1.17 -0.03 0.00 0.00 0.00 0.00 44.72 43.64 1wsb s GLY 9 CO 0.05 0.22 0.15 -0.45 0.00 0.00 0.00 173.10 173.07 1wsb s SER 10 N 1.18 0.11 -0.24 1.64 0.15 -1.26 -3.13 113.70 112.15 1wsb s SER 10 Ca 0.02 0.30 -0.03 0.00 0.70 0.00 0.00 55.95 56.94 1wsb s SER 10 Cb -0.14 0.20 -0.14 0.00 -1.71 0.00 0.00 66.02 64.23 1wsb s SER 10 CO -0.08 -0.17 -0.25 0.41 1.20 0.00 0.00 173.24 174.35 1wsb n THR 11 N 4.49 1.37 -0.59 6.45 -1.04 -1.26 -4.39 114.28 119.31 1wsb n THR 11 Ca -0.21 -0.47 0.08 0.00 -2.04 0.00 0.00 64.05 61.41 1wsb n THR 11 Cb 0.51 -1.51 0.26 0.00 -1.82 0.00 0.00 70.33 67.77 1wsb n THR 11 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1wsb n THR 12 N -3.51 1.71 -0.58 12.58 -2.24 -1.26 -4.98 114.28 116.00 1wsb n THR 12 Ca -0.45 -1.36 0.00 0.00 -2.27 0.00 0.00 64.05 59.98 1wsb n THR 12 Cb 0.92 0.13 0.00 0.00 -2.10 0.00 0.00 70.33 69.28 1wsb n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wsb n GLY 13 N 0.38 1.03 0.22 3.38 0.00 -1.26 -4.97 105.19 103.96 1wsb n GLY 13 Ca 0.19 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.04 1wsb n GLY 13 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1wsb h ASN 14 N 0.00 0.94 0.78 1.61 2.35 -1.93 -0.29 115.58 119.04 1wsb h ASN 14 Ca 0.00 -0.64 -0.20 0.00 -0.55 0.00 0.00 56.30 54.91 1wsb h ASN 14 Cb 0.00 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.07 1wsb h ASN 14 CO 0.00 1.44 -0.93 0.74 -1.65 0.00 0.00 177.43 177.04 1wsb h THR 15 N 0.51 1.59 -0.45 2.81 2.02 -1.93 -1.34 112.91 116.12 1wsb h THR 15 Ca -0.07 -2.94 0.01 0.00 0.77 0.00 0.00 66.41 64.18 1wsb h THR 15 Cb 1.47 2.63 -0.03 0.00 -1.74 0.00 0.00 68.15 70.49 1wsb h THR 15 CO 0.17 0.85 0.28 -0.08 0.37 0.00 0.00 175.52 177.11 1wsb h GLU 16 N 0.04 0.55 -0.73 6.66 4.81 -1.84 0.14 114.58 124.21 1wsb h GLU 16 Ca -0.03 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.14 1wsb h GLU 16 Cb 1.60 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.83 1wsb h GLU 16 CO 0.13 0.36 0.34 -0.92 -0.73 0.00 0.00 179.01 178.19 1wsb h TYR 17 N 0.57 1.06 -0.76 0.92 5.03 -0.86 -0.41 116.97 122.52 1wsb h TYR 17 Ca 0.17 -0.06 0.01 0.00 2.58 0.00 0.00 58.73 61.43 1wsb h TYR 17 Cb -0.03 -0.33 -0.04 0.00 1.55 0.00 0.00 36.73 37.89 1wsb h TYR 17 CO -0.06 0.79 0.50 1.15 -1.32 0.00 0.00 178.16 179.23 1wsb h THR 18 N 1.03 1.19 -0.13 1.81 2.02 -0.71 -0.34 112.91 117.77 1wsb h THR 18 Ca 0.25 -0.35 -0.07 0.00 0.77 0.00 0.00 66.41 67.00 1wsb h THR 18 Cb 0.14 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.61 1wsb h THR 18 CO -0.03 0.19 -0.26 0.00 0.37 0.00 0.00 175.52 175.79 1wsb h ALA 19 N 1.28 1.33 -0.29 6.16 0.00 -0.10 -0.74 119.26 126.90 1wsb h ALA 19 Ca 0.28 -0.30 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 1wsb h ALA 19 Cb -0.12 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1wsb h ALA 19 CO -0.06 0.46 -0.44 0.93 0.00 0.00 0.00 179.25 180.14 1wsb h GLU 20 N 0.21 0.73 -0.20 0.00 5.08 -0.52 0.12 114.58 120.01 1wsb h GLU 20 Ca 0.03 -0.40 -0.04 0.00 -1.00 0.00 0.00 59.36 57.95 1wsb h GLU 20 Cb 0.57 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1wsb h GLU 20 CO 0.04 1.02 -0.05 1.15 -1.00 0.00 0.00 179.01 180.18 1wsb h THR 21 N 0.59 1.29 -0.54 1.13 2.02 -0.88 -1.13 112.91 115.39 1wsb h THR 21 Ca 0.04 -1.03 -0.10 0.00 0.77 0.00 0.00 66.41 66.09 1wsb h THR 21 Cb 0.99 1.56 -0.02 0.00 -1.74 0.00 0.00 68.15 68.95 1wsb h THR 21 CO 0.09 0.31 -0.05 0.40 0.37 0.00 0.00 175.52 176.64 1wsb h ILE 22 N 0.10 1.26 -0.52 3.11 2.04 -0.93 -2.15 117.51 120.43 1wsb h ILE 22 Ca 0.05 -1.18 -0.02 0.00 1.00 0.00 0.00 64.86 64.72 1wsb h ILE 22 Cb 0.49 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 37.45 1wsb h ILE 22 CO 0.02 0.42 0.25 0.00 0.00 0.00 0.00 178.15 178.84 1wsb h ALA 23 N 1.05 1.47 -0.04 1.87 0.00 -0.61 -0.23 119.26 122.78 1wsb h ALA 23 Ca 0.15 -0.10 -0.23 0.00 0.00 0.00 0.00 54.91 54.73 1wsb h ALA 23 Cb 0.59 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.17 1wsb h ALA 23 CO 0.04 0.42 -0.90 -0.09 0.00 0.00 0.00 179.25 178.72 1wsb h ARG 24 N 0.72 0.54 0.15 0.00 9.65 -0.94 0.26 114.38 124.76 1wsb h ARG 24 Ca 0.18 -0.53 -0.01 0.00 -1.10 0.00 0.00 59.98 58.53 1wsb h ARG 24 Cb 0.07 0.14 0.00 0.00 -1.39 0.00 0.00 29.97 28.79 1wsb h ARG 24 CO -0.03 1.15 -0.07 0.93 2.80 0.00 0.00 179.97 184.76 1wsb h GLU 25 N 0.33 -0.20 0.06 0.20 4.39 -0.83 0.13 114.58 118.66 1wsb h GLU 25 Ca -0.08 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.64 1wsb h GLU 25 Cb 1.52 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 30.21 1wsb h GLU 25 CO 0.16 -0.03 -0.07 -0.07 -1.16 0.00 0.00 179.01 177.85 1wsb h LEU 26 N -0.33 -0.18 -0.84 1.33 3.38 -0.96 -1.95 115.31 115.75 1wsb h LEU 26 Ca -0.02 0.02 0.12 0.00 0.09 0.00 0.00 57.88 58.09 1wsb h LEU 26 Cb 0.26 0.07 -0.08 0.00 0.09 0.00 0.00 40.66 41.00 1wsb h LEU 26 CO 0.03 -0.11 0.46 0.00 0.09 0.00 0.00 178.44 178.92 1wsb h ALA 27 N 0.78 1.23 0.00 1.53 0.00 -0.85 -1.22 119.26 120.74 1wsb h ALA 27 Ca 0.01 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1wsb h ALA 27 Cb 0.15 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1wsb h ALA 27 CO -0.03 0.02 -0.08 -0.44 0.00 0.00 0.00 179.25 178.72 1wsb h ASP 28 N 0.73 0.00 0.89 0.00 3.32 -0.42 -1.01 116.42 119.93 1wsb h ASP 28 Ca 0.43 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.48 1wsb h ASP 28 Cb 0.48 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.03 1wsb h ASP 28 CO -0.29 0.08 0.00 0.00 -1.72 0.00 0.00 179.24 177.31 1wsb n ALA 29 N -2.39 2.34 0.00 3.45 0.00 -0.62 -4.91 120.51 118.38 1wsb n ALA 29 Ca -0.03 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1wsb n ALA 29 Cb 0.17 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.15 1wsb n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wsb n GLY 30 N 1.40 0.70 3.81 0.00 0.00 -0.38 -5.09 105.19 105.63 1wsb n GLY 30 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 1wsb n GLY 30 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wsb s TYR 31 N -2.00 3.11 -0.01 1.61 1.51 -0.56 -4.76 117.35 116.25 1wsb s TYR 31 Ca 0.00 1.56 -0.27 0.00 -1.01 0.00 0.00 57.07 57.35 1wsb s TYR 31 Cb 0.00 -2.98 -0.04 0.00 -0.11 0.00 0.00 41.96 38.83 1wsb s TYR 31 CO 0.00 -0.67 0.86 -1.21 -1.11 0.00 0.00 175.55 173.42 1wsb s GLU 32 N -3.42 4.52 -0.07 -0.62 2.02 0.53 -4.27 118.70 117.39 1wsb s GLU 32 Ca 0.65 1.19 0.04 0.00 0.02 0.00 0.00 54.97 56.88 1wsb s GLU 32 Cb -0.14 -3.44 -0.00 0.00 0.10 0.00 0.00 34.13 30.65 1wsb s GLU 32 CO 0.22 0.05 -0.21 0.08 0.02 0.00 0.00 175.26 175.42 1wsb s VAL 33 N 0.74 1.77 -0.24 2.63 1.01 -1.26 -0.44 120.40 124.61 1wsb s VAL 33 Ca 0.45 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.55 1wsb s VAL 33 Cb -0.20 -1.53 0.04 0.00 0.00 0.00 0.00 36.38 34.69 1wsb s VAL 33 CO 0.24 0.50 -0.10 -0.62 0.00 0.00 0.00 175.10 175.12 1wsb s ASP 34 N 0.17 4.15 -0.16 3.32 -1.08 0.44 -4.97 116.67 118.55 1wsb s ASP 34 Ca -0.10 -0.99 -0.04 0.00 -0.52 0.00 0.00 52.55 50.89 1wsb s ASP 34 Cb -0.15 -1.60 -0.03 0.00 -1.46 0.00 0.00 42.92 39.68 1wsb s ASP 34 CO 0.05 -0.13 -0.02 -0.55 0.52 0.00 0.00 175.17 175.04 1wsb s SER 35 N 1.25 4.90 -0.02 -0.34 0.15 -1.26 -0.47 113.70 117.92 1wsb s SER 35 Ca -0.02 -0.10 0.02 0.00 0.70 0.00 0.00 55.95 56.55 1wsb s SER 35 Cb -0.17 -1.81 0.00 0.00 -1.71 0.00 0.00 66.02 62.34 1wsb s SER 35 CO -0.06 0.17 -0.07 -0.13 1.20 0.00 0.00 173.24 174.35 1wsb s ARG 36 N 0.37 0.73 0.18 5.44 0.52 0.14 -4.96 118.95 121.37 1wsb s ARG 36 Ca -0.03 -0.23 -0.31 0.00 -0.52 0.00 0.00 55.73 54.64 1wsb s ARG 36 Cb -0.14 -0.71 -0.09 0.00 0.52 0.00 0.00 34.95 34.53 1wsb s ARG 36 CO 0.03 0.09 1.40 0.34 0.02 0.00 0.00 175.30 177.18 1wsb s ASP 37 N 0.16 6.78 0.60 0.23 -1.08 -1.26 -1.64 116.67 120.46 1wsb s ASP 37 Ca -0.02 2.47 0.32 0.00 -0.52 0.00 0.00 52.55 54.79 1wsb s ASP 37 Cb -0.07 -2.60 1.90 0.00 -1.46 0.00 0.00 42.92 40.69 1wsb s ASP 37 CO 0.00 -0.65 2.26 0.00 0.52 0.00 0.00 175.17 177.30 1wsb h ALA 38 N 5.96 1.47 -0.64 3.66 0.00 -0.76 -1.89 119.26 127.08 1wsb h ALA 38 Ca -0.44 -0.00 0.10 0.00 0.00 0.00 0.00 54.91 54.57 1wsb h ALA 38 Cb 1.21 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 1wsb h ALA 38 CO 0.82 -0.03 0.42 0.00 0.00 0.00 0.00 179.25 180.46 1wsb h ALA 39 N 1.97 1.98 -0.83 0.00 0.00 -1.80 -2.75 119.26 117.84 1wsb h ALA 39 Ca 0.01 -0.01 -0.49 0.00 0.00 0.00 0.00 54.91 54.41 1wsb h ALA 39 Cb 0.06 -0.09 -0.42 0.00 0.00 0.00 0.00 17.79 17.33 1wsb h ALA 39 CO -0.00 -0.13 -0.87 -1.13 0.00 0.00 0.00 179.25 177.12 1wsb n SER 40 N -4.47 4.16 -4.90 0.00 3.41 -0.71 -5.03 113.62 106.07 1wsb n SER 40 Ca 0.10 -3.40 -0.21 0.00 -0.26 0.00 0.00 58.87 55.10 1wsb n SER 40 Cb 0.37 -0.39 -0.02 0.00 -0.26 0.00 0.00 64.21 63.91 1wsb n SER 40 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1wsb s VAL 41 N -4.55 2.49 -0.09 -3.33 -7.23 -1.04 -5.01 120.40 101.65 1wsb s VAL 41 Ca 0.45 -1.31 0.04 0.00 -1.81 0.00 0.00 61.98 59.35 1wsb s VAL 41 Cb 0.39 -2.81 -0.00 0.00 0.56 0.00 0.00 36.38 34.53 1wsb s VAL 41 CO -0.01 0.00 -0.24 -1.61 -0.31 0.00 0.00 175.10 172.93 1wsb s GLU 42 N -4.21 2.94 0.40 4.82 0.41 -1.26 -4.98 118.70 116.82 1wsb s GLU 42 Ca 0.48 -0.88 0.13 0.00 -0.41 0.00 0.00 54.97 54.29 1wsb s GLU 42 Cb -0.04 -2.26 0.84 0.00 -1.78 0.00 0.00 34.13 30.90 1wsb s GLU 42 CO 0.28 0.21 1.90 0.00 -0.49 0.00 0.00 175.26 177.16 1wsb h ALA 43 N 6.60 1.52 -2.37 5.21 0.00 -1.93 -3.38 119.26 124.90 1wsb h ALA 43 Ca -0.21 -0.26 -0.54 0.00 0.00 0.00 0.00 54.91 53.89 1wsb h ALA 43 Cb 1.23 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1wsb h ALA 43 CO 0.47 0.36 0.87 0.20 0.00 0.00 0.00 179.25 181.15 1wsb s GLY 44 N -4.24 1.79 0.00 0.00 0.00 -1.26 -2.30 107.32 101.31 1wsb s GLY 44 Ca -0.03 0.92 0.00 0.00 0.00 0.00 0.00 44.72 45.61 1wsb s GLY 44 CO 0.71 2.60 0.00 0.61 0.00 0.00 0.00 173.10 177.02 1wsb n GLY 45 N 3.72 0.38 0.35 0.20 0.00 0.13 -4.88 105.19 105.09 1wsb n GLY 45 Ca 0.14 0.00 0.22 0.00 0.00 0.00 0.00 46.02 46.37 1wsb n GLY 45 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1wsb h LEU 46 N 0.00 0.57 0.00 0.99 5.85 -1.21 0.40 115.31 121.91 1wsb h LEU 46 Ca 0.00 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.88 1wsb h LEU 46 Cb 0.28 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.39 1wsb h LEU 46 CO 0.00 -0.02 -0.55 0.49 -0.34 0.00 0.00 178.44 178.02 1wsb n PHE 47 N -4.93 0.24 -1.87 1.25 3.72 0.09 -4.90 117.46 111.06 1wsb n PHE 47 Ca 0.29 0.07 -0.42 0.00 -0.05 0.00 0.00 57.45 57.35 1wsb n PHE 47 Cb 0.89 -0.44 -0.03 0.00 -0.94 0.00 0.00 39.48 38.97 1wsb n PHE 47 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1wsb s GLU 48 N -3.08 4.18 0.00 -1.08 2.02 0.13 -1.95 118.70 118.92 1wsb s GLU 48 Ca 0.09 2.45 0.00 0.00 0.02 0.00 0.00 54.97 57.53 1wsb s GLU 48 Cb 0.16 -3.11 0.00 0.00 0.10 0.00 0.00 34.13 31.28 1wsb s GLU 48 CO 0.70 -0.63 0.00 0.41 0.02 0.00 0.00 175.26 175.77 1wsb n GLY 49 N 3.41 0.10 3.59 -1.39 0.00 -1.26 -5.05 105.19 104.58 1wsb n GLY 49 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 1wsb n GLY 49 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wsb s PHE 50 N -2.00 3.10 0.13 1.61 0.08 -0.82 -4.86 117.98 115.21 1wsb s PHE 50 Ca 0.00 -0.04 0.14 0.00 0.12 0.00 0.00 56.93 57.15 1wsb s PHE 50 Cb 0.00 -1.90 0.35 0.00 -0.57 0.00 0.00 43.02 40.90 1wsb s PHE 50 CO 0.00 0.20 1.58 -0.44 -0.10 0.00 0.00 175.22 176.46 1wsb h ASP 51 N 6.04 0.00 -3.68 1.36 3.32 -1.35 -3.46 116.42 118.64 1wsb h ASP 51 Ca -0.40 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.48 1wsb h ASP 51 Cb 1.19 0.00 -0.27 0.00 0.22 0.00 0.00 39.33 40.47 1wsb h ASP 51 CO 0.60 0.55 -0.44 -0.22 -1.72 0.00 0.00 179.24 178.02 1wsb s LEU 52 N -7.03 0.86 -0.08 1.55 2.96 -0.98 -4.18 118.68 111.77 1wsb s LEU 52 Ca 0.01 0.51 0.00 0.00 -0.22 0.00 0.00 54.13 54.43 1wsb s LEU 52 Cb 0.11 0.83 0.02 0.00 0.50 0.00 0.00 46.19 47.65 1wsb s LEU 52 CO 0.74 -0.11 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.90 1wsb s VAL 53 N 0.46 0.86 -0.19 1.68 1.01 -0.51 -0.65 120.40 123.06 1wsb s VAL 53 Ca -0.03 -0.24 -0.03 0.00 0.00 0.00 0.00 61.98 61.68 1wsb s VAL 53 Cb -0.04 -0.87 -0.01 0.00 0.00 0.00 0.00 36.38 35.45 1wsb s VAL 53 CO -0.02 0.32 -0.05 -0.76 0.00 0.00 0.00 175.10 174.59 1wsb s LEU 54 N 1.33 2.97 -0.21 3.92 1.43 0.31 -2.10 118.68 126.32 1wsb s LEU 54 Ca -0.03 -0.31 -0.07 0.00 -1.03 0.00 0.00 54.13 52.68 1wsb s LEU 54 Cb -0.14 -1.74 -0.04 0.00 0.03 0.00 0.00 46.19 44.31 1wsb s LEU 54 CO -0.03 0.05 0.06 -0.76 0.23 0.00 0.00 176.35 175.91 1wsb s LEU 55 N 1.04 3.63 -0.04 1.79 1.43 -0.75 -1.35 118.68 124.42 1wsb s LEU 55 Ca 0.01 -0.05 0.03 0.00 -1.03 0.00 0.00 54.13 53.09 1wsb s LEU 55 Cb -0.15 -1.94 -0.03 0.00 0.03 0.00 0.00 46.19 44.11 1wsb s LEU 55 CO 0.00 0.08 -0.13 -0.83 0.23 0.00 0.00 176.35 175.70 1wsb s GLY 56 N 0.91 1.56 -0.27 -3.19 0.00 0.11 -0.56 107.32 105.89 1wsb s GLY 56 Ca 0.04 -0.98 -0.19 0.00 0.00 0.00 0.00 44.72 43.58 1wsb s GLY 56 CO 0.03 -0.78 0.69 0.00 0.00 0.00 0.00 173.10 173.04 1wsb s SER 58 N 1.14 6.46 -0.08 0.00 1.04 -1.18 -4.02 113.70 117.06 1wsb s SER 58 Ca -0.06 1.47 -0.02 0.00 0.48 0.00 0.00 55.95 57.81 1wsb s SER 58 Cb -0.05 -2.48 -0.03 0.00 0.10 0.00 0.00 66.02 63.56 1wsb s SER 58 CO -0.12 -0.68 0.03 -0.89 0.98 0.00 0.00 173.24 172.56 1wsb s THR 59 N -2.82 4.53 0.37 2.02 2.01 -0.98 -2.10 115.64 118.67 1wsb s THR 59 Ca 0.57 -0.21 0.05 0.00 0.31 0.00 0.00 61.69 62.41 1wsb s THR 59 Cb -0.10 -2.93 -0.03 0.00 0.01 0.00 0.00 72.50 69.45 1wsb s THR 59 CO 0.40 0.57 0.20 0.26 -0.69 0.00 0.00 174.62 175.37 1wsb s TRP 60 N -0.94 1.76 0.00 4.92 0.52 0.29 -4.87 118.94 120.61 1wsb s TRP 60 Ca 0.15 -1.49 0.00 0.00 0.02 0.00 0.00 56.10 54.78 1wsb s TRP 60 Cb -0.11 -0.94 0.00 0.00 -1.15 0.00 0.00 33.47 31.27 1wsb s TRP 60 CO 0.04 -0.59 0.00 0.41 0.02 0.00 0.00 176.95 176.83 1wsb n GLY 61 N -0.78 3.09 5.00 0.98 0.00 -1.26 -1.11 105.19 111.11 1wsb n GLY 61 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.89 1wsb n GLY 61 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1wsb n ASP 62 N 0.01 0.00 -0.73 1.61 -0.08 -1.26 -3.48 116.55 112.62 1wsb n ASP 62 Ca 0.00 0.00 0.07 0.00 -1.51 0.00 0.00 54.79 53.35 1wsb n ASP 62 Cb 0.00 0.00 0.21 0.00 2.34 0.00 0.00 41.12 43.67 1wsb n ASP 62 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 1wsb n ASP 63 N 1.13 2.13 -3.57 1.67 5.68 -1.26 -4.31 116.55 118.02 1wsb n ASP 63 Ca 0.00 -1.95 -0.01 0.00 -0.50 0.00 0.00 54.79 52.33 1wsb n ASP 63 Cb 0.00 -0.24 0.01 0.00 -1.14 0.00 0.00 41.12 39.75 1wsb n ASP 63 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1wsb s ILE 65 N -2.16 4.66 0.04 0.00 1.01 -1.26 -4.29 121.20 119.20 1wsb s ILE 65 Ca 0.24 -0.07 0.08 0.00 0.00 0.00 0.00 60.65 60.90 1wsb s ILE 65 Cb -0.01 -3.14 -0.03 0.00 0.01 0.00 0.00 42.46 39.30 1wsb s ILE 65 CO 0.02 0.40 -0.22 -1.61 0.00 0.00 0.00 174.94 173.54 1wsb s GLU 66 N 0.88 1.50 0.34 2.79 2.02 -0.27 -4.97 118.70 120.99 1wsb s GLU 66 Ca 0.04 -0.96 -0.09 0.00 0.02 0.00 0.00 54.97 53.98 1wsb s GLU 66 Cb -0.14 -1.61 -0.06 0.00 0.10 0.00 0.00 34.13 32.42 1wsb s GLU 66 CO 0.03 0.41 0.67 -0.51 0.02 0.00 0.00 175.26 175.88 1wsb s LEU 67 N -1.14 3.96 0.19 1.80 1.02 -1.26 -0.55 118.68 122.70 1wsb s LEU 67 Ca 0.08 0.99 -0.31 0.00 0.02 0.00 0.00 54.13 54.91 1wsb s LEU 67 Cb -0.09 -3.83 -0.16 0.00 0.02 0.00 0.00 46.19 42.13 1wsb s LEU 67 CO 0.02 -0.28 0.92 1.67 0.02 0.00 0.00 176.35 178.69 1wsb n GLN 68 N -0.99 0.74 0.07 1.70 0.00 -0.89 -4.75 117.38 113.26 1wsb n GLN 68 Ca 0.01 0.26 0.02 0.00 -0.00 0.00 0.00 57.00 57.29 1wsb n GLN 68 Cb 0.54 -1.57 0.38 0.00 0.00 0.00 0.00 30.24 29.58 1wsb n GLN 68 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.06 177.28 1wsb h ASP 69 N 2.24 0.33 0.76 1.69 3.58 -1.94 -0.15 116.42 122.92 1wsb h ASP 69 Ca -0.38 -0.05 -0.05 0.00 0.42 0.00 0.00 57.03 56.96 1wsb h ASP 69 Cb 1.38 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 42.34 1wsb h ASP 69 CO 0.63 0.41 -0.25 0.44 -2.88 0.00 0.00 179.24 177.59 1wsb h ASP 70 N 0.34 0.00 1.71 2.28 3.32 -1.94 -2.97 116.42 119.16 1wsb h ASP 70 Ca 0.08 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 1wsb h ASP 70 Cb 0.29 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.84 1wsb h ASP 70 CO 0.01 0.25 -0.29 0.15 -1.72 0.00 0.00 179.24 177.64 1wsb h PHE 71 N 0.00 0.00 -0.83 4.55 3.04 -1.34 -3.36 116.94 119.00 1wsb h PHE 71 Ca -0.00 0.00 0.06 0.00 3.98 0.00 0.00 57.97 62.01 1wsb h PHE 71 Cb 0.70 0.00 -0.06 0.00 2.56 0.00 0.00 35.95 39.15 1wsb h PHE 71 CO 0.00 0.01 0.51 0.82 -2.02 0.00 0.00 178.31 177.63 1wsb h ILE 72 N 0.00 1.04 -0.56 1.41 2.04 -1.35 -0.92 117.51 119.18 1wsb h ILE 72 Ca -0.00 -0.32 0.03 0.00 1.00 0.00 0.00 64.86 65.56 1wsb h ILE 72 Cb 1.01 0.02 -0.04 0.00 -0.74 0.00 0.00 36.82 37.07 1wsb h ILE 72 CO 0.00 0.17 0.34 -0.65 0.00 0.00 0.00 178.15 178.01 1wsb h PRO 73 N 0.94 0.65 -0.33 2.37 0.11 -1.81 0.57 132.00 134.50 1wsb h PRO 73 Ca 0.36 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 66.31 1wsb h PRO 73 Cb 0.16 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.11 1wsb h PRO 73 CO -0.17 0.43 -0.30 1.25 -0.21 0.00 0.00 178.00 179.00 1wsb h LEU 74 N 0.67 0.71 -0.42 2.35 5.85 -1.62 -2.64 115.31 120.21 1wsb h LEU 74 Ca 0.23 -0.28 -0.10 0.00 0.84 0.00 0.00 57.88 58.57 1wsb h LEU 74 Cb 0.03 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 1wsb h LEU 74 CO -0.10 0.96 -0.13 0.15 -0.34 0.00 0.00 178.44 178.98 1wsb h PHE 75 N 0.59 0.94 -0.09 1.25 3.57 -0.18 -1.38 116.94 121.64 1wsb h PHE 75 Ca 0.07 -0.21 0.03 0.00 3.53 0.00 0.00 57.97 61.39 1wsb h PHE 75 Cb 0.80 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 39.31 1wsb h PHE 75 CO 0.04 0.96 0.16 -0.44 -2.23 0.00 0.00 178.31 176.79 1wsb h ASP 76 N 0.65 0.00 -0.20 0.41 3.32 -0.81 -2.99 116.42 116.80 1wsb h ASP 76 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1wsb h ASP 76 Cb 0.67 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.22 1wsb h ASP 76 CO 0.05 0.00 0.00 -1.20 -1.72 0.00 0.00 179.24 176.37 1wsb n SER 77 N -3.47 3.43 0.25 6.45 7.64 -0.58 -4.74 113.62 122.60 1wsb n SER 77 Ca -0.01 -2.96 0.10 0.00 1.01 0.00 0.00 58.87 57.01 1wsb n SER 77 Cb 0.25 -0.49 0.66 0.00 -1.01 0.00 0.00 64.21 63.62 1wsb n SER 77 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1wsb h LEU 78 N 1.35 0.00 -2.44 -3.43 3.38 -1.24 0.64 115.31 113.56 1wsb h LEU 78 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1wsb h LEU 78 Cb 1.28 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.03 1wsb h LEU 78 CO 0.15 0.12 -0.00 -0.33 0.09 0.00 0.00 178.44 178.47 1wsb h GLU 79 N 0.00 0.00 -0.01 1.13 5.08 -1.86 -2.95 114.58 115.96 1wsb h GLU 79 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1wsb h GLU 79 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1wsb h GLU 79 CO 0.02 0.00 -0.05 -0.85 -1.00 0.00 0.00 179.01 177.13 1wsb n GLU 80 N -3.09 1.57 0.15 2.33 0.28 0.22 -4.52 120.64 117.58 1wsb n GLU 80 Ca -0.02 -0.96 0.08 0.00 -0.16 0.00 0.00 57.16 56.10 1wsb n GLU 80 Cb 0.16 -1.48 0.06 0.00 1.43 0.00 0.00 31.44 31.60 1wsb n GLU 80 CO 0.00 0.00 0.00 1.79 -0.16 0.00 0.00 177.13 178.76 1wsb h THR 81 N 2.35 0.27 0.00 3.84 1.35 -1.60 0.40 112.91 119.52 1wsb h THR 81 Ca 0.00 -1.42 0.00 0.00 -0.55 0.00 0.00 66.41 64.44 1wsb h THR 81 Cb 0.54 1.98 0.00 0.00 -1.73 0.00 0.00 68.15 68.94 1wsb h THR 81 CO 0.00 0.16 0.00 0.61 -0.25 0.00 0.00 175.52 176.04 1wsb n GLY 82 N 1.19 1.56 0.25 5.82 0.00 -1.26 -0.73 105.19 112.01 1wsb n GLY 82 Ca 0.01 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.16 1wsb n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wsb h ALA 83 N 0.00 1.05 -2.60 4.61 0.00 -1.89 -3.41 119.26 117.01 1wsb h ALA 83 Ca 0.00 -0.11 -0.52 0.00 0.00 0.00 0.00 54.91 54.27 1wsb h ALA 83 Cb 0.00 -0.02 0.05 0.00 0.00 0.00 0.00 17.79 17.82 1wsb h ALA 83 CO 0.00 0.16 1.04 -1.14 0.00 0.00 0.00 179.25 179.31 1wsb s GLN 84 N -3.74 4.13 0.00 0.00 2.00 -1.25 -1.75 119.66 119.05 1wsb s GLN 84 Ca 0.00 2.60 0.00 0.00 -2.00 0.00 0.00 55.36 55.96 1wsb s GLN 84 Cb 0.10 -3.26 0.00 0.00 0.80 0.00 0.00 33.01 30.65 1wsb s GLN 84 CO 0.59 -0.78 0.00 0.41 -0.50 0.00 0.00 175.29 175.01 1wsb n GLY 85 N 4.06 1.62 3.78 2.59 0.00 0.13 -4.86 105.19 112.51 1wsb n GLY 85 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 1wsb n GLY 85 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1wsb s ARG 86 N -0.07 4.47 -0.08 1.61 6.06 -0.72 -4.65 118.95 125.58 1wsb s ARG 86 Ca 0.00 1.05 -0.24 0.00 -2.50 0.00 0.00 55.73 54.04 1wsb s ARG 86 Cb 0.00 -3.26 -0.03 0.00 0.06 0.00 0.00 34.95 31.72 1wsb s ARG 86 CO 0.00 0.58 0.72 0.15 -2.50 0.00 0.00 175.30 174.25 1wsb s LYS 87 N -1.09 4.41 0.08 5.12 1.02 -1.26 0.04 119.74 128.05 1wsb s LYS 87 Ca 0.34 0.90 -0.06 0.00 0.02 0.00 0.00 55.97 57.18 1wsb s LYS 87 Cb -0.22 -3.47 -0.02 0.00 -0.52 0.00 0.00 37.83 33.60 1wsb s LYS 87 CO 0.24 -0.00 0.10 0.14 -0.92 0.00 0.00 175.35 174.92 1wsb s VAL 88 N 1.02 0.17 0.24 3.17 -7.23 -0.38 -1.43 120.40 115.96 1wsb s VAL 88 Ca 0.38 -1.44 -0.16 0.00 -1.81 0.00 0.00 61.98 58.95 1wsb s VAL 88 Cb -0.18 -1.43 0.01 0.00 0.56 0.00 0.00 36.38 35.34 1wsb s VAL 88 CO 0.17 -0.77 0.54 0.00 -0.31 0.00 0.00 175.10 174.73 1wsb s ALA 89 N -3.89 -0.67 0.11 1.32 0.00 -0.89 -0.91 121.76 116.83 1wsb s ALA 89 Ca 0.06 -0.55 0.04 0.00 0.00 0.00 0.00 51.96 51.51 1wsb s ALA 89 Cb 0.06 0.94 -0.04 0.00 0.00 0.00 0.00 23.12 24.09 1wsb s ALA 89 CO -0.10 -0.87 -0.10 0.00 0.00 0.00 0.00 175.76 174.69 1wsb s PHE 91 N -2.84 -0.17 -0.14 0.00 -0.71 0.28 -0.92 117.98 113.48 1wsb s PHE 91 Ca 0.10 0.13 -0.34 0.00 -1.04 0.00 0.00 56.93 55.78 1wsb s PHE 91 Cb -0.00 0.13 0.13 0.00 -1.21 0.00 0.00 43.02 42.07 1wsb s PHE 91 CO -0.00 -0.49 1.20 0.20 -1.34 0.00 0.00 175.22 174.78 1wsb s GLY 92 N -1.83 -0.32 0.05 1.99 0.00 0.02 -1.33 107.32 105.89 1wsb s GLY 92 Ca -0.07 1.37 0.02 0.00 0.00 0.00 0.00 44.72 46.04 1wsb s GLY 92 CO -0.01 0.43 0.06 0.00 0.00 0.00 0.00 173.10 173.59 1wsb n GLY 94 N 0.75 3.49 3.02 0.00 0.00 0.44 -2.31 105.19 110.59 1wsb n GLY 94 Ca -0.11 -0.91 -0.13 0.00 0.00 0.00 0.00 46.02 44.87 1wsb n GLY 94 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1wsb s ASP 95 N 1.74 0.20 0.00 1.61 -1.08 -1.26 -1.69 116.67 116.19 1wsb s ASP 95 Ca 0.00 0.58 0.10 0.00 -0.52 0.00 0.00 52.55 52.71 1wsb s ASP 95 Cb 0.00 0.62 0.54 0.00 -1.46 0.00 0.00 42.92 42.63 1wsb s ASP 95 CO 0.00 -0.22 1.21 -1.54 0.52 0.00 0.00 175.17 175.14 1wsb n SER 96 N 5.07 0.00 0.12 -0.34 3.41 -1.26 -1.85 113.62 118.76 1wsb n SER 96 Ca -0.11 0.08 0.13 0.00 -0.26 0.00 0.00 58.87 58.71 1wsb n SER 96 Cb 0.51 -0.25 0.37 0.00 -0.26 0.00 0.00 64.21 64.58 1wsb n SER 96 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1wsb h SER 97 N 0.00 0.00 -3.92 4.04 4.64 -2.00 -3.45 113.55 112.86 1wsb h SER 97 Ca 0.00 -0.01 -0.50 0.00 -0.47 0.00 0.00 61.79 60.82 1wsb h SER 97 Cb 0.09 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.22 1wsb h SER 97 CO 0.00 0.00 0.24 -0.31 -0.87 0.00 0.00 176.83 175.90 1wsb s TYR 98 N -3.11 3.58 0.24 4.77 2.02 -0.77 -4.99 117.35 119.08 1wsb s TYR 98 Ca 0.10 1.05 -0.03 0.00 -0.37 0.00 0.00 57.07 57.82 1wsb s TYR 98 Cb 0.12 -2.50 0.28 0.00 -0.40 0.00 0.00 41.96 39.46 1wsb s TYR 98 CO 0.61 -0.43 1.74 1.49 -1.57 0.00 0.00 175.55 177.39 1wsb h GLU 99 N 0.14 0.84 -3.50 -0.62 4.81 -1.88 -3.34 114.58 111.04 1wsb h GLU 99 Ca -0.46 -0.24 -0.69 0.00 -0.13 0.00 0.00 59.36 57.84 1wsb h GLU 99 Cb 1.20 -0.09 -0.36 0.00 0.63 0.00 0.00 28.75 30.13 1wsb h GLU 99 CO 0.62 0.85 -0.34 0.71 -0.73 0.00 0.00 179.01 180.12 1wsb s TYR 100 N -4.99 3.46 0.02 0.92 2.02 -1.26 -5.04 117.35 112.49 1wsb s TYR 100 Ca -0.10 -2.81 -0.30 0.00 -0.37 0.00 0.00 57.07 53.49 1wsb s TYR 100 Cb 0.14 -3.17 -0.05 0.00 -0.40 0.00 0.00 41.96 38.48 1wsb s TYR 100 CO 0.82 -0.81 1.23 0.12 -1.57 0.00 0.00 175.55 175.34 1wsb s PHE 101 N -0.33 3.30 -1.59 2.71 5.36 -1.26 -2.72 117.98 123.46 1wsb s PHE 101 Ca 0.19 1.21 -0.16 0.00 -0.96 0.00 0.00 56.93 57.21 1wsb s PHE 101 Cb -0.18 -3.46 0.14 0.00 -0.34 0.00 0.00 43.02 39.18 1wsb s PHE 101 CO -0.05 -1.45 0.75 0.00 -1.46 0.00 0.00 175.22 173.01 1wsb h GLY 103 N -1.44 0.00 1.52 0.00 0.00 -1.90 -0.96 103.07 100.27 1wsb h GLY 103 Ca -0.55 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.74 1wsb h GLY 103 CO 0.72 0.00 0.09 0.00 0.00 0.00 0.00 176.54 177.35 1wsb h ALA 104 N 1.89 1.39 -0.37 3.60 0.00 -1.86 -1.84 119.26 122.07 1wsb h ALA 104 Ca -0.00 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1wsb h ALA 104 Cb 0.37 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1wsb h ALA 104 CO 0.01 0.44 0.05 0.28 0.00 0.00 0.00 179.25 180.03 1wsb h VAL 105 N 0.60 1.24 -0.60 0.00 2.07 -1.40 -0.80 116.25 117.36 1wsb h VAL 105 Ca 0.14 -0.88 0.02 0.00 0.82 0.00 0.00 66.70 66.80 1wsb h VAL 105 Cb 0.25 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 1wsb h VAL 105 CO -0.00 0.30 0.37 0.44 0.02 0.00 0.00 177.57 178.70 1wsb h ASP 106 N 0.46 0.61 0.16 0.57 3.32 -1.47 0.20 116.42 120.26 1wsb h ASP 106 Ca 0.11 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1wsb h ASP 106 Cb 0.39 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 1wsb h ASP 106 CO 0.01 0.43 -0.13 0.00 -1.72 0.00 0.00 179.24 177.83 1wsb h ALA 107 N 1.26 -0.28 -0.76 3.45 0.00 -1.18 0.22 119.26 121.96 1wsb h ALA 107 Ca 0.24 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 1wsb h ALA 107 Cb 0.00 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1wsb h ALA 107 CO -0.09 -0.67 0.25 0.82 0.00 0.00 0.00 179.25 179.56 1wsb h ILE 108 N -0.30 1.26 -0.38 0.00 2.04 -0.87 -1.37 117.51 117.89 1wsb h ILE 108 Ca -0.00 -0.90 -0.00 0.00 1.00 0.00 0.00 64.86 64.95 1wsb h ILE 108 Cb 0.27 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 1wsb h ILE 108 CO -0.01 0.36 0.23 -0.33 0.00 0.00 0.00 178.15 178.39 1wsb h GLU 109 N 1.13 0.52 -0.16 2.37 5.08 -0.58 -0.30 114.58 122.64 1wsb h GLU 109 Ca 0.25 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1wsb h GLU 109 Cb 0.29 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1wsb h GLU 109 CO -0.01 0.40 0.10 1.49 -1.00 0.00 0.00 179.01 179.99 1wsb h GLU 110 N 0.50 0.22 -0.63 2.33 4.57 -0.87 0.18 114.58 120.88 1wsb h GLU 110 Ca 0.14 -0.02 0.01 0.00 -1.18 0.00 0.00 59.36 58.30 1wsb h GLU 110 Cb 0.01 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.53 1wsb h GLU 110 CO -0.03 0.19 0.42 -0.22 -1.18 0.00 0.00 179.01 178.19 1wsb h LYS 111 N 0.18 0.84 -0.52 1.92 1.63 -1.07 -1.22 116.57 118.33 1wsb h LYS 111 Ca 0.06 -0.05 -0.03 0.00 -0.85 0.00 0.00 60.65 59.77 1wsb h LYS 111 Cb 0.03 -0.19 -0.02 0.00 -0.60 0.00 0.00 32.23 31.45 1wsb h LYS 111 CO -0.01 0.55 0.20 -0.07 -3.45 0.00 0.00 179.45 176.67 1wsb h LEU 112 N 0.86 0.73 -0.26 5.20 3.38 -0.15 -0.43 115.31 124.65 1wsb h LEU 112 Ca 0.23 -0.18 0.05 0.00 0.09 0.00 0.00 57.88 58.07 1wsb h LEU 112 Cb -0.10 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.41 1wsb h LEU 112 CO -0.05 0.71 -0.04 0.50 0.09 0.00 0.00 178.44 179.65 1wsb h LYS 113 N 0.71 0.03 0.00 1.13 1.63 -0.41 -1.33 116.57 118.33 1wsb h LYS 113 Ca 0.17 -0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.95 1wsb h LYS 113 Cb 0.22 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 31.84 1wsb h LYS 113 CO -0.01 0.02 -0.11 -0.91 -3.45 0.00 0.00 179.45 174.99 1wsb h ASN 114 N 0.03 0.00 -0.01 4.20 2.35 -1.10 -0.97 115.58 120.08 1wsb h ASN 114 Ca 0.13 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 1wsb h ASN 114 Cb 0.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.55 1wsb h ASN 114 CO -0.25 0.11 0.00 0.18 -1.65 0.00 0.00 177.43 175.82 1wsb n LEU 115 N -3.41 0.15 0.00 1.61 4.77 -0.18 -4.88 117.00 115.06 1wsb n LEU 115 Ca -0.01 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1wsb n LEU 115 Cb 0.28 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 1wsb n LEU 115 CO 0.29 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 1wsb n GLY 116 N 0.89 0.68 3.72 -0.72 0.00 -0.37 -3.90 105.19 105.49 1wsb n GLY 116 Ca 0.18 -0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 1wsb n GLY 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wsb s ALA 117 N -2.00 1.77 -0.42 4.61 0.00 -0.79 0.19 121.76 125.11 1wsb s ALA 117 Ca 0.00 0.19 -0.10 0.00 0.00 0.00 0.00 51.96 52.05 1wsb s ALA 117 Cb 0.00 -3.27 0.08 0.00 0.00 0.00 0.00 23.12 19.93 1wsb s ALA 117 CO 0.00 -2.22 0.27 -2.00 0.00 0.00 0.00 175.76 171.82 1wsb s GLU 118 N -4.86 2.64 -0.24 0.00 2.12 0.11 -4.61 118.70 113.86 1wsb s GLU 118 Ca 0.63 -1.45 -0.29 0.00 0.36 0.00 0.00 54.97 54.22 1wsb s GLU 118 Cb -0.19 -3.82 -0.01 0.00 0.26 0.00 0.00 34.13 30.38 1wsb s GLU 118 CO 0.57 -0.96 1.37 0.42 -0.54 0.00 0.00 175.26 176.11 1wsb s ILE 119 N 1.45 4.06 -0.69 -3.70 1.01 -1.26 -1.25 121.20 120.82 1wsb s ILE 119 Ca 0.03 1.23 0.23 0.00 0.00 0.00 0.00 60.65 62.13 1wsb s ILE 119 Cb -0.23 -4.00 -0.14 0.00 0.01 0.00 0.00 42.46 38.09 1wsb s ILE 119 CO 0.02 -0.34 1.00 1.33 0.00 0.00 0.00 174.94 176.95 1wsb n VAL 120 N 6.03 0.11 -3.71 2.92 0.24 -0.09 -4.80 118.33 119.03 1wsb n VAL 120 Ca 0.15 -0.19 -0.14 0.00 -2.04 0.00 0.00 64.34 62.13 1wsb n VAL 120 Cb 0.46 0.36 -0.09 0.00 -1.47 0.00 0.00 33.84 33.10 1wsb n VAL 120 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1wsb s GLN 121 N -3.16 0.69 0.53 7.34 2.00 -1.26 -4.80 119.66 120.99 1wsb s GLN 121 Ca 0.04 0.10 -0.22 0.00 -2.00 0.00 0.00 55.36 53.29 1wsb s GLN 121 Cb 0.15 0.32 -0.06 0.00 0.80 0.00 0.00 33.01 34.22 1wsb s GLN 121 CO 0.81 -0.17 1.28 -0.25 -0.50 0.00 0.00 175.29 176.46 1wsb n ASP 122 N 1.65 2.35 -4.68 6.67 10.43 -1.26 -4.60 116.55 127.11 1wsb n ASP 122 Ca -0.19 0.98 -0.41 0.00 2.57 0.00 0.00 54.79 57.74 1wsb n ASP 122 Cb 0.56 -1.53 0.01 0.00 1.84 0.00 0.00 41.12 42.00 1wsb n ASP 122 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1wsb n GLY 123 N 0.85 0.41 3.61 0.44 0.00 -1.26 -4.83 105.19 104.41 1wsb n GLY 123 Ca 0.10 0.19 -0.43 0.00 0.00 0.00 0.00 46.02 45.88 1wsb n GLY 123 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1wsb s LEU 124 N -1.46 3.93 -0.31 0.99 2.96 -0.09 -4.98 118.68 119.72 1wsb s LEU 124 Ca 0.61 0.71 0.01 0.00 -0.22 0.00 0.00 54.13 55.24 1wsb s LEU 124 Cb -0.52 -3.38 0.07 0.00 0.50 0.00 0.00 46.19 42.87 1wsb s LEU 124 CO 0.58 -0.91 0.01 -0.13 -1.32 0.00 0.00 176.35 174.58 1wsb s ARG 125 N 3.64 2.08 -0.23 1.98 0.52 -1.26 -0.80 118.95 124.87 1wsb s ARG 125 Ca 0.41 -1.52 -0.17 0.00 -0.52 0.00 0.00 55.73 53.93 1wsb s ARG 125 Cb -0.11 -3.16 -0.03 0.00 0.52 0.00 0.00 34.95 32.17 1wsb s ARG 125 CO 0.19 -0.75 0.44 0.42 0.02 0.00 0.00 175.30 175.63 1wsb s ILE 126 N 1.10 5.14 -0.23 1.52 1.01 -0.79 -4.98 121.20 123.97 1wsb s ILE 126 Ca -0.00 0.76 -0.14 0.00 0.00 0.00 0.00 60.65 61.27 1wsb s ILE 126 Cb -0.20 -3.77 -0.04 0.00 0.01 0.00 0.00 42.46 38.46 1wsb s ILE 126 CO -0.04 0.17 0.31 -0.62 0.00 0.00 0.00 174.94 174.76 1wsb s ASP 127 N 1.34 6.28 0.00 3.58 2.15 -1.26 -0.42 116.67 128.34 1wsb s ASP 127 Ca 0.19 0.32 0.00 0.00 0.43 0.00 0.00 52.55 53.49 1wsb s ASP 127 Cb -0.15 -2.18 0.00 0.00 -0.30 0.00 0.00 42.92 40.28 1wsb s ASP 127 CO 0.09 -0.06 0.00 0.61 -0.17 0.00 0.00 175.17 175.64 1wsb n GLY 128 N 4.29 -1.62 3.68 2.66 0.00 -0.68 -4.85 105.19 108.67 1wsb n GLY 128 Ca -0.10 -1.46 -0.42 0.00 0.00 0.00 0.00 46.02 44.04 1wsb n GLY 128 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1wsb s ASP 129 N -4.00 6.65 0.55 1.61 -1.08 -1.26 -4.78 116.67 114.35 1wsb s ASP 129 Ca 0.00 2.37 0.33 0.00 -0.52 0.00 0.00 52.55 54.73 1wsb s ASP 129 Cb 0.00 -2.55 1.43 0.00 -1.46 0.00 0.00 42.92 40.34 1wsb s ASP 129 CO 0.00 -0.89 2.01 1.55 0.52 0.00 0.00 175.17 178.37 1wsb h PRO 130 N 8.74 0.00 -0.04 4.34 0.13 -1.88 -1.43 132.00 141.85 1wsb h PRO 130 Ca -0.41 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.73 1wsb h PRO 130 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 1wsb h PRO 130 CO 0.93 0.05 0.21 0.00 -0.23 0.00 0.00 178.00 178.96 1wsb h ARG 131 N 0.00 0.00 -0.25 0.86 3.08 -1.93 -0.40 114.38 115.74 1wsb h ARG 131 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1wsb h ARG 131 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.52 1wsb h ARG 131 CO 0.01 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.91 1wsb n ALA 132 N -2.04 2.45 -1.54 0.04 0.00 -0.54 -4.05 120.51 114.83 1wsb n ALA 132 Ca -0.01 -0.84 0.04 0.00 0.00 0.00 0.00 53.44 52.62 1wsb n ALA 132 Cb 0.28 -0.89 0.05 0.00 0.00 0.00 0.00 19.45 18.89 1wsb n ALA 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wsb n ALA 133 N 1.29 2.03 -0.33 0.00 0.00 -0.25 -4.87 120.51 118.38 1wsb n ALA 133 Ca 0.18 -1.54 0.29 0.00 0.00 0.00 0.00 53.44 52.37 1wsb n ALA 133 Cb 0.57 -0.41 0.63 0.00 0.00 0.00 0.00 19.45 20.24 1wsb n ALA 133 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1wsb h ARG 134 N 0.00 0.19 0.00 0.00 2.43 -1.47 0.25 114.38 115.78 1wsb h ARG 134 Ca 0.00 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.07 1wsb h ARG 134 Cb 1.20 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.69 1wsb h ARG 134 CO 0.00 0.13 -0.60 -0.44 -1.51 0.00 0.00 179.97 177.55 1wsb h ASP 135 N 0.20 0.00 0.21 -3.80 3.32 -1.89 -1.77 116.42 112.69 1wsb h ASP 135 Ca 0.60 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 57.42 1wsb h ASP 135 Cb 1.93 0.00 0.01 0.00 0.22 0.00 0.00 39.33 41.49 1wsb h ASP 135 CO -0.18 0.41 -0.95 0.44 -1.72 0.00 0.00 179.24 177.24 1wsb h ASP 136 N 0.00 0.66 0.53 6.45 3.32 -0.92 -1.25 116.42 125.22 1wsb h ASP 136 Ca -0.03 -0.52 -0.02 0.00 0.02 0.00 0.00 57.03 56.48 1wsb h ASP 136 Cb 1.33 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.67 1wsb h ASP 136 CO 0.05 1.31 -0.35 0.40 -1.72 0.00 0.00 179.24 178.93 1wsb h ILE 137 N 0.30 0.28 -0.58 0.35 2.04 -1.30 0.44 117.51 119.04 1wsb h ILE 137 Ca -0.09 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.87 1wsb h ILE 137 Cb 1.59 0.28 -0.08 0.00 -0.74 0.00 0.00 36.82 37.87 1wsb h ILE 137 CO 0.17 0.00 0.15 0.58 0.00 0.00 0.00 178.15 179.05 1wsb h VAL 138 N -0.85 0.69 -0.63 1.67 2.07 -1.40 -1.29 116.25 116.51 1wsb h VAL 138 Ca -0.06 -0.10 0.07 0.00 0.82 0.00 0.00 66.70 67.43 1wsb h VAL 138 Cb 0.70 0.37 -0.06 0.00 -1.52 0.00 0.00 31.29 30.78 1wsb h VAL 138 CO 0.05 0.05 0.32 1.23 0.02 0.00 0.00 177.57 179.24 1wsb h GLY 139 N 0.29 0.92 1.08 2.17 0.00 -1.15 -2.42 103.07 103.95 1wsb h GLY 139 Ca 0.30 -0.21 -0.08 0.00 0.00 0.00 0.00 47.33 47.33 1wsb h GLY 139 CO -0.36 0.10 0.09 -0.25 0.00 0.00 0.00 176.54 176.12 1wsb h TRP 140 N 0.59 1.20 -0.98 5.60 7.01 -0.23 -1.43 115.95 127.71 1wsb h TRP 140 Ca 0.29 -0.17 0.05 0.00 2.11 0.00 0.00 58.89 61.17 1wsb h TRP 140 Cb 0.24 -0.33 -0.06 0.00 -2.10 0.00 0.00 29.16 26.91 1wsb h TRP 140 CO -0.10 1.00 0.63 0.00 -2.79 0.00 0.00 178.44 177.19 1wsb h ALA 141 N 1.05 1.33 -0.12 2.65 0.00 -1.14 -0.35 119.26 122.68 1wsb h ALA 141 Ca 0.20 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1wsb h ALA 141 Cb 0.46 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1wsb h ALA 141 CO 0.02 0.46 0.03 1.25 0.00 0.00 0.00 179.25 181.00 1wsb h HIS 142 N 1.18 0.20 -0.60 0.00 -0.00 -1.32 -2.44 115.15 112.16 1wsb h HIS 142 Ca 0.41 -0.02 0.08 0.00 -0.00 0.00 0.00 60.37 60.83 1wsb h HIS 142 Cb 0.10 -0.06 -0.06 0.00 -0.00 0.00 0.00 27.41 27.39 1wsb h HIS 142 CO -0.01 0.35 0.26 -0.44 -0.00 0.00 0.00 177.93 178.10 1wsb h ASP 143 N -0.02 0.31 -0.65 3.26 3.32 -0.91 -2.39 116.42 119.33 1wsb h ASP 143 Ca 0.04 0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.12 1wsb h ASP 143 Cb 0.26 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.79 1wsb h ASP 143 CO 0.00 0.19 0.30 -0.37 -1.72 0.00 0.00 179.24 177.64 1wsb h VAL 144 N 0.47 1.23 -0.88 -1.35 -1.51 -0.83 -2.49 116.25 110.89 1wsb h VAL 144 Ca 0.29 -0.65 0.10 0.00 -1.23 0.00 0.00 66.70 65.21 1wsb h VAL 144 Cb 0.31 0.45 -0.06 0.00 -2.13 0.00 0.00 31.29 29.85 1wsb h VAL 144 CO -0.26 0.27 0.57 0.03 -1.23 0.00 0.00 177.57 176.95 1wsb h ARG 145 N 0.91 0.83 0.00 5.19 3.08 -1.13 -1.36 114.38 121.89 1wsb h ARG 145 Ca 0.22 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.20 1wsb h ARG 145 Cb 0.14 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.00 1wsb h ARG 145 CO -0.03 0.55 -0.10 0.78 -1.07 0.00 0.00 179.97 180.11 1wsb h GLY 146 N 0.86 0.00 -0.49 0.04 0.00 -1.00 -3.00 103.07 99.46 1wsb h GLY 146 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.74 1wsb h GLY 146 CO -0.17 0.00 -0.03 0.00 0.00 0.00 0.00 176.54 176.33 1wsb n ALA 147 N -2.21 2.63 0.97 3.60 0.00 -0.52 -5.12 120.51 119.87 1wsb n ALA 147 Ca -0.01 -0.46 0.12 0.00 0.00 0.00 0.00 53.44 53.08 1wsb n ALA 147 Cb 0.26 -1.13 0.10 0.00 0.00 0.00 0.00 19.45 18.68 1wsb n ALA 147 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94