#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wey s SER 2 N 0.00 -0.83 1.00 1.61 0.15 -1.26 -5.16 113.70 109.21 1wey s SER 2 Ca 0.00 -0.82 -0.12 0.00 0.70 0.00 0.00 55.95 55.71 1wey s SER 2 Cb 0.00 1.08 0.19 0.00 -1.71 0.00 0.00 66.02 65.59 1wey s SER 2 CO 0.00 -0.05 1.08 -0.44 1.20 0.00 0.00 173.24 175.03 1wey s SER 3 N 1.22 2.36 0.00 5.45 0.01 -1.26 -4.89 113.70 116.59 1wey s SER 3 Ca 0.23 1.70 0.00 0.00 1.31 0.00 0.00 55.95 59.19 1wey s SER 3 Cb 0.05 -2.33 0.00 0.00 0.21 0.00 0.00 66.02 63.95 1wey s SER 3 CO -0.09 -3.37 0.00 0.61 0.41 0.00 0.00 173.24 170.80 1wey n GLY 4 N -0.03 -0.52 3.17 3.44 0.00 -1.26 -5.08 105.19 104.90 1wey n GLY 4 Ca 0.07 0.18 -0.39 0.00 0.00 0.00 0.00 46.02 45.88 1wey n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wey s SER 5 N -4.00 5.50 0.00 1.61 0.01 -1.26 -4.81 113.70 110.74 1wey s SER 5 Ca 0.00 -2.04 0.00 0.00 1.31 0.00 0.00 55.95 55.22 1wey s SER 5 Cb 0.00 -1.92 0.00 0.00 0.21 0.00 0.00 66.02 64.31 1wey s SER 5 CO 0.00 -0.61 0.00 -1.54 0.41 0.00 0.00 173.24 171.50 1wey n SER 6 N 4.66 3.86 -4.53 2.44 3.41 -1.26 -4.37 113.62 117.83 1wey n SER 6 Ca -0.04 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.26 1wey n SER 6 Cb 0.41 0.56 0.18 0.00 -0.26 0.00 0.00 64.21 65.10 1wey n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wey n GLY 7 N 2.21 -1.32 3.36 5.00 0.00 -1.26 -3.99 105.19 109.19 1wey n GLY 7 Ca 0.00 -0.84 -0.10 0.00 0.00 0.00 0.00 46.02 45.08 1wey n GLY 7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wey s LEU 8 N -5.13 -0.30 -0.66 0.99 1.43 -0.54 -3.37 118.68 111.10 1wey s LEU 8 Ca 0.64 1.05 -0.15 0.00 -1.03 0.00 0.00 54.13 54.64 1wey s LEU 8 Cb -0.22 1.61 0.16 0.00 0.03 0.00 0.00 46.19 47.77 1wey s LEU 8 CO 0.63 -0.20 0.62 -0.63 0.23 0.00 0.00 176.35 176.99 1wey s ILE 9 N 1.45 5.35 -0.22 -0.59 -1.09 0.30 -0.89 121.20 125.51 1wey s ILE 9 Ca -0.10 -1.86 -0.18 0.00 -2.23 0.00 0.00 60.65 56.28 1wey s ILE 9 Cb -0.08 -4.40 -0.03 0.00 -1.58 0.00 0.00 42.46 36.37 1wey s ILE 9 CO -0.14 -0.95 0.53 0.00 -1.23 0.00 0.00 174.94 173.14 1wey s ALA 10 N 1.10 3.56 -0.36 9.38 0.00 0.50 -0.37 121.76 135.57 1wey s ALA 10 Ca 0.10 -0.46 -0.12 0.00 0.00 0.00 0.00 51.96 51.48 1wey s ALA 10 Cb -0.22 -2.85 0.01 0.00 0.00 0.00 0.00 23.12 20.06 1wey s ALA 10 CO -0.02 -0.55 0.22 0.00 0.00 0.00 0.00 175.76 175.41 1wey s VAL 12 N 1.63 5.36 -0.06 0.00 1.01 -1.25 -1.11 120.40 125.97 1wey s VAL 12 Ca 0.04 -0.41 0.15 0.00 0.00 0.00 0.00 61.98 61.76 1wey s VAL 12 Cb -0.18 -3.65 -0.23 0.00 0.00 0.00 0.00 36.38 32.32 1wey s VAL 12 CO 0.08 0.09 0.25 0.00 0.00 0.00 0.00 175.10 175.52 1wey n ALA 13 N 0.13 2.27 -2.39 5.51 0.00 -1.26 -4.87 120.51 119.90 1wey n ALA 13 Ca -0.05 -0.58 -0.40 0.00 0.00 0.00 0.00 53.44 52.41 1wey n ALA 13 Cb 0.52 -0.38 -0.03 0.00 0.00 0.00 0.00 19.45 19.55 1wey n ALA 13 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1wey s ASN 14 N -4.17 5.89 0.60 0.00 0.01 -1.26 -4.84 114.94 111.17 1wey s ASN 14 Ca -0.06 -0.24 0.29 0.00 -0.71 0.00 0.00 52.86 52.14 1wey s ASN 14 Cb 0.08 -2.55 1.42 0.00 0.41 0.00 0.00 41.25 40.61 1wey s ASN 14 CO 0.64 -2.00 1.82 0.44 -1.51 0.00 0.00 177.10 176.49 1wey h ASP 15 N 11.52 0.00 -0.04 -1.22 3.32 -2.00 -0.26 116.42 127.74 1wey h ASP 15 Ca -0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.79 1wey h ASP 15 Cb 1.08 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.63 1wey h ASP 15 CO 1.26 0.00 0.01 -0.78 -1.72 0.00 0.00 179.24 178.01 1wey h ASP 16 N 0.00 -0.00 -1.80 6.45 1.82 -1.99 -2.14 116.42 118.76 1wey h ASP 16 Ca 0.24 0.01 0.52 0.00 -0.39 0.00 0.00 57.03 57.41 1wey h ASP 16 Cb 1.38 0.01 -0.07 0.00 0.68 0.00 0.00 39.33 41.32 1wey h ASP 16 CO -0.00 0.01 1.34 0.58 -1.61 0.00 0.00 179.24 179.55 1wey h VAL 17 N 0.02 0.06 -0.33 2.25 2.07 -1.34 1.24 116.25 120.21 1wey h VAL 17 Ca 0.02 0.00 -0.19 0.00 0.82 0.00 0.00 66.70 67.35 1wey h VAL 17 Cb 0.01 0.06 -0.10 0.00 -1.52 0.00 0.00 31.29 29.74 1wey h VAL 17 CO -0.02 0.00 0.24 0.49 0.02 0.00 0.00 177.57 178.29 1wey n PHE 18 N -3.90 1.04 -4.46 1.57 3.01 -0.80 -3.75 117.46 110.17 1wey n PHE 18 Ca 0.40 -1.11 -0.24 0.00 1.01 0.00 0.00 57.45 57.51 1wey n PHE 18 Cb 1.88 -0.56 -0.10 0.00 -0.01 0.00 0.00 39.48 40.69 1wey n PHE 18 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1wey s SER 19 N 0.34 3.50 0.24 4.37 1.04 0.42 -5.04 113.70 118.57 1wey s SER 19 Ca 0.20 -1.03 0.22 0.00 0.48 0.00 0.00 55.95 55.82 1wey s SER 19 Cb 0.16 -0.29 0.05 0.00 0.10 0.00 0.00 66.02 66.05 1wey s SER 19 CO 0.03 0.02 1.13 -0.33 0.98 0.00 0.00 173.24 175.08 1wey h GLU 20 N 2.31 0.00 0.00 4.02 5.08 -1.89 -3.34 114.58 120.76 1wey h GLU 20 Ca -0.40 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 1wey h GLU 20 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1wey h GLU 20 CO 0.60 0.01 0.00 0.45 -1.00 0.00 0.00 179.01 179.07 1wey n SER 21 N -2.76 0.00 0.00 1.42 2.88 -1.26 -4.82 113.62 109.09 1wey n SER 21 Ca 0.00 0.81 0.00 0.00 -1.33 0.00 0.00 58.87 58.35 1wey n SER 21 Cb 0.55 -0.38 0.00 0.00 -0.75 0.00 0.00 64.21 63.63 1wey n SER 21 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1wey n GLU 22 N -2.67 0.00 -0.26 -1.46 2.13 -1.26 -4.97 120.64 112.15 1wey n GLU 22 Ca 0.00 0.00 0.25 0.00 0.66 0.00 0.00 57.16 58.07 1wey n GLU 22 Cb 0.00 0.00 0.46 0.00 0.27 0.00 0.00 31.44 32.17 1wey n GLU 22 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 1wey n THR 23 N -0.80 -0.31 0.12 6.31 -1.04 -1.26 0.52 114.28 117.82 1wey n THR 23 Ca 0.00 1.53 -0.15 0.00 -2.04 0.00 0.00 64.05 63.39 1wey n THR 23 Cb 0.00 -2.50 -0.08 0.00 -1.82 0.00 0.00 70.33 65.93 1wey n THR 23 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 1wey h ARG 24 N 0.00 -0.67 -0.83 -2.82 2.43 -1.68 -2.40 114.38 108.41 1wey h ARG 24 Ca 0.65 0.05 0.15 0.00 -0.81 0.00 0.00 59.98 60.01 1wey h ARG 24 Cb 1.76 0.15 -0.15 0.00 -0.42 0.00 0.00 29.97 31.32 1wey h ARG 24 CO -0.57 -0.45 -0.30 0.00 -1.51 0.00 0.00 179.97 177.15 1wey h ALA 25 N -0.29 0.27 -0.93 2.80 0.00 -0.25 0.41 119.26 121.28 1wey h ALA 25 Ca 0.01 0.27 0.27 0.00 0.00 0.00 0.00 54.91 55.46 1wey h ALA 25 Cb 0.71 0.80 -0.15 0.00 0.00 0.00 0.00 17.79 19.15 1wey h ALA 25 CO -0.24 -0.54 0.29 0.87 0.00 0.00 0.00 179.25 179.62 1wey h LYS 26 N -0.05 0.18 -0.02 0.00 1.57 -1.42 0.99 116.57 117.82 1wey h LYS 26 Ca 0.34 -0.01 -0.15 0.00 -1.87 0.00 0.00 60.65 58.96 1wey h LYS 26 Cb 0.60 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 1wey h LYS 26 CO -0.86 0.12 -0.70 0.35 -0.57 0.00 0.00 179.45 177.79 1wey h PHE 27 N 0.18 0.14 0.20 -1.35 3.04 -0.14 -3.27 116.94 115.73 1wey h PHE 27 Ca 0.62 -0.06 -0.01 0.00 3.98 0.00 0.00 57.97 62.50 1wey h PHE 27 Cb 1.32 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 39.82 1wey h PHE 27 CO -0.23 0.76 -0.10 0.93 -2.02 0.00 0.00 178.31 177.65 1wey h GLU 28 N 0.07 -0.26 -0.85 1.11 5.08 0.20 -3.27 114.58 116.65 1wey h GLU 28 Ca -0.01 0.02 0.33 0.00 -1.00 0.00 0.00 59.36 58.69 1wey h GLU 28 Cb 1.23 0.06 -0.12 0.00 0.50 0.00 0.00 28.75 30.42 1wey h GLU 28 CO 0.10 -0.17 0.50 0.43 -1.00 0.00 0.00 179.01 178.87 1wey n SER 29 N -3.64 0.21 -0.06 1.42 7.64 0.11 0.97 113.62 120.28 1wey n SER 29 Ca -0.03 1.13 -0.09 0.00 1.01 0.00 0.00 58.87 60.89 1wey n SER 29 Cb 0.11 -0.55 -0.03 0.00 -1.01 0.00 0.00 64.21 62.73 1wey n SER 29 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1wey h LEU 30 N 0.00 -1.00 0.00 -3.43 3.38 -1.61 0.30 115.31 112.95 1wey h LEU 30 Ca 0.63 0.17 -0.00 0.00 0.09 0.00 0.00 57.88 58.77 1wey h LEU 30 Cb 1.83 0.45 0.00 0.00 0.09 0.00 0.00 40.66 43.04 1wey h LEU 30 CO -0.47 -0.33 -0.00 -0.26 0.09 0.00 0.00 178.44 177.47 1wey h PHE 31 N -0.31 -0.00 -0.86 1.13 -1.00 0.48 -3.33 116.94 113.04 1wey h PHE 31 Ca 0.14 -0.00 0.22 0.00 2.81 0.00 0.00 57.97 61.14 1wey h PHE 31 Cb 0.53 0.00 -0.13 0.00 3.61 0.00 0.00 35.95 39.95 1wey h PHE 31 CO -0.47 0.96 0.26 -0.09 -1.61 0.00 0.00 178.31 177.36 1wey h ARG 32 N -0.97 0.24 -1.01 1.51 1.12 -1.04 0.16 114.38 114.39 1wey h ARG 32 Ca -0.00 -0.01 0.39 0.00 -1.11 0.00 0.00 59.98 59.25 1wey h ARG 32 Cb 0.96 -0.05 -0.17 0.00 -0.01 0.00 0.00 29.97 30.70 1wey h ARG 32 CO 0.00 0.16 0.56 1.15 -3.11 0.00 0.00 179.97 178.73 1wey h THR 33 N 0.25 0.09 0.00 0.20 2.02 -0.50 -2.39 112.91 112.57 1wey h THR 33 Ca 0.54 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.69 1wey h THR 33 Cb 1.06 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.45 1wey h THR 33 CO -0.62 0.02 0.00 -1.22 0.37 0.00 0.00 175.52 174.07 1wey n TYR 34 N -5.18 0.00 -4.22 3.16 4.01 0.55 -4.90 117.16 110.58 1wey n TYR 34 Ca 0.36 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.78 1wey n TYR 34 Cb 1.21 -0.48 -0.08 0.00 -0.31 0.00 0.00 39.34 39.68 1wey n TYR 34 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1wey s ASP 35 N -2.67 5.16 -0.04 7.72 -1.08 -0.90 -5.02 116.67 119.84 1wey s ASP 35 Ca 0.00 -0.04 0.16 0.00 -0.52 0.00 0.00 52.55 52.15 1wey s ASP 35 Cb 0.00 -1.33 -0.21 0.00 -1.46 0.00 0.00 42.92 39.92 1wey s ASP 35 CO 0.00 0.25 0.59 0.29 0.52 0.00 0.00 175.17 176.82 1wey n LYS 36 N 1.14 0.64 -0.52 4.34 5.02 -1.26 -4.03 118.16 123.49 1wey n LYS 36 Ca -0.13 0.19 -0.06 0.00 -2.02 0.00 0.00 58.31 56.28 1wey n LYS 36 Cb 0.52 -1.73 0.12 0.00 -0.02 0.00 0.00 35.03 33.93 1wey n LYS 36 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1wey n ASP 37 N -2.89 3.31 -4.73 4.39 -0.08 -1.26 -4.91 116.55 110.38 1wey n ASP 37 Ca -0.17 -2.64 -0.41 0.00 -1.51 0.00 0.00 54.79 50.06 1wey n ASP 37 Cb 0.97 -0.63 -0.05 0.00 2.34 0.00 0.00 41.12 43.75 1wey n ASP 37 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 1wey s THR 38 N -1.65 4.57 -0.19 5.18 -4.23 -1.26 -4.55 115.64 113.52 1wey s THR 38 Ca 0.26 1.92 -0.07 0.00 -1.18 0.00 0.00 61.69 62.63 1wey s THR 38 Cb 0.21 -4.25 -0.04 0.00 1.34 0.00 0.00 72.50 69.76 1wey s THR 38 CO 0.06 0.34 0.05 0.42 -0.54 0.00 0.00 174.62 174.95 1wey s THR 39 N -0.04 4.62 -0.21 3.99 -4.23 0.17 -4.93 115.64 115.02 1wey s THR 39 Ca 0.44 -0.09 -0.06 0.00 -1.18 0.00 0.00 61.69 60.80 1wey s THR 39 Cb -0.22 -3.09 -0.03 0.00 1.34 0.00 0.00 72.50 70.50 1wey s THR 39 CO 0.28 0.44 0.04 -0.36 -0.54 0.00 0.00 174.62 174.48 1wey s PHE 40 N 0.57 3.11 -0.26 3.99 0.40 -1.26 -0.89 117.98 123.64 1wey s PHE 40 Ca 0.03 -0.29 0.02 0.00 -0.60 0.00 0.00 56.93 56.09 1wey s PHE 40 Cb -0.13 -2.13 0.06 0.00 0.51 0.00 0.00 43.02 41.33 1wey s PHE 40 CO 0.01 -0.16 -0.07 -1.14 0.70 0.00 0.00 175.22 174.56 1wey s GLN 41 N 1.01 1.91 -0.10 0.44 2.00 0.19 -4.97 119.66 120.15 1wey s GLN 41 Ca 0.03 -1.26 -0.21 0.00 -2.00 0.00 0.00 55.36 51.92 1wey s GLN 41 Cb -0.14 -2.79 -0.04 0.00 0.80 0.00 0.00 33.01 30.84 1wey s GLN 41 CO 0.02 -0.62 0.59 0.71 -0.50 0.00 0.00 175.29 175.50 1wey s TYR 42 N 1.20 3.53 -0.47 1.67 1.51 -1.26 -0.47 117.35 123.06 1wey s TYR 42 Ca -0.06 1.05 -0.03 0.00 -1.01 0.00 0.00 57.07 57.03 1wey s TYR 42 Cb -0.19 -2.69 0.12 0.00 -0.11 0.00 0.00 41.96 39.09 1wey s TYR 42 CO -0.06 0.09 0.27 -0.06 -1.11 0.00 0.00 175.55 174.68 1wey s PHE 43 N 0.85 3.53 0.39 2.71 0.08 -0.30 -4.93 117.98 120.31 1wey s PHE 43 Ca 0.31 -2.51 0.30 0.00 0.12 0.00 0.00 56.93 55.16 1wey s PHE 43 Cb -0.16 -3.22 1.52 0.00 -0.57 0.00 0.00 43.02 40.59 1wey s PHE 43 CO 0.14 -0.93 2.08 -0.22 -0.10 0.00 0.00 175.22 176.19 1wey h LYS 44 N 7.75 0.00 -0.36 0.44 3.64 -1.95 1.38 116.57 127.47 1wey h LYS 44 Ca -0.10 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.14 1wey h LYS 44 Cb 1.02 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.83 1wey h LYS 44 CO 0.71 0.10 -0.32 0.77 -2.27 0.00 0.00 179.45 178.43 1wey h SER 45 N 0.00 0.91 -0.04 4.20 0.02 -1.96 -3.26 113.55 113.42 1wey h SER 45 Ca -0.00 -0.46 -0.00 0.00 -0.84 0.00 0.00 61.79 60.49 1wey h SER 45 Cb 0.33 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.62 1wey h SER 45 CO 0.01 1.18 -0.01 0.49 -1.14 0.00 0.00 176.83 177.36 1wey n PHE 46 N -4.15 0.13 -3.90 3.45 3.72 -0.98 -4.98 117.46 110.75 1wey n PHE 46 Ca -0.03 -1.00 -0.29 0.00 -0.05 0.00 0.00 57.45 56.08 1wey n PHE 46 Cb 0.51 -0.18 -0.07 0.00 -0.94 0.00 0.00 39.48 38.80 1wey n PHE 46 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1wey n LYS 47 N -1.31 -0.85 -4.03 -1.08 4.76 0.46 -4.88 118.16 111.23 1wey n LYS 47 Ca 0.17 0.09 -0.26 0.00 -2.87 0.00 0.00 58.31 55.44 1wey n LYS 47 Cb 0.68 -3.29 -0.04 0.00 -1.84 0.00 0.00 35.03 30.54 1wey n LYS 47 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1wey s ARG 48 N -6.12 2.27 -0.18 1.97 0.52 -0.71 -3.87 118.95 112.84 1wey s ARG 48 Ca 0.37 -1.97 -0.04 0.00 -0.52 0.00 0.00 55.73 53.57 1wey s ARG 48 Cb -0.21 -2.03 0.08 0.00 0.52 0.00 0.00 34.95 33.31 1wey s ARG 48 CO 0.79 -0.40 0.18 0.08 0.02 0.00 0.00 175.30 175.98 1wey s VAL 49 N -2.70 -0.26 -0.39 3.52 1.01 0.53 -1.15 120.40 120.96 1wey s VAL 49 Ca 0.34 -0.08 -0.19 0.00 0.00 0.00 0.00 61.98 62.05 1wey s VAL 49 Cb -0.00 -0.61 0.01 0.00 0.00 0.00 0.00 36.38 35.78 1wey s VAL 49 CO 0.20 -0.19 0.55 -0.60 0.00 0.00 0.00 175.10 175.06 1wey s ARG 50 N 2.28 3.44 -0.36 2.72 3.52 0.38 -0.37 118.95 130.56 1wey s ARG 50 Ca 0.05 -0.30 -0.08 0.00 -0.13 0.00 0.00 55.73 55.28 1wey s ARG 50 Cb -0.15 -3.87 0.05 0.00 -1.56 0.00 0.00 34.95 29.41 1wey s ARG 50 CO -0.11 -0.79 0.15 0.42 -0.81 0.00 0.00 175.30 174.16 1wey s ILE 51 N 2.51 3.98 -0.23 4.11 1.09 -0.07 -0.63 121.20 131.95 1wey s ILE 51 Ca 0.19 -1.15 -0.13 0.00 -1.10 0.00 0.00 60.65 58.46 1wey s ILE 51 Cb -0.15 -3.29 -0.04 0.00 -1.06 0.00 0.00 42.46 37.91 1wey s ILE 51 CO 0.15 -0.25 0.29 0.21 -0.10 0.00 0.00 174.94 175.24 1wey s ASN 52 N 1.55 6.26 0.56 3.58 3.84 -0.07 -1.47 114.94 129.20 1wey s ASN 52 Ca -0.00 0.29 0.08 0.00 0.21 0.00 0.00 52.86 53.44 1wey s ASN 52 Cb -0.20 -2.17 0.08 0.00 -0.55 0.00 0.00 41.25 38.40 1wey s ASN 52 CO 0.03 -0.04 0.78 -0.36 -2.79 0.00 0.00 177.10 174.72 1wey s PHE 53 N 1.39 1.76 -1.16 0.43 0.40 -1.26 -0.65 117.98 118.88 1wey s PHE 53 Ca 0.13 -0.57 0.23 0.00 -0.60 0.00 0.00 56.93 56.12 1wey s PHE 53 Cb -0.15 -2.37 0.07 0.00 0.51 0.00 0.00 43.02 41.08 1wey s PHE 53 CO 0.07 -1.08 1.11 0.45 0.70 0.00 0.00 175.22 176.47 1wey n SER 54 N -2.26 0.97 -3.74 1.36 2.88 -1.26 -4.83 113.62 106.74 1wey n SER 54 Ca 0.14 -0.83 -0.13 0.00 -1.33 0.00 0.00 58.87 56.71 1wey n SER 54 Cb 0.61 0.67 -0.10 0.00 -0.75 0.00 0.00 64.21 64.64 1wey n SER 54 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1wey s ASN 55 N -2.91 -0.32 0.00 -3.46 0.01 -1.26 -5.02 114.94 101.97 1wey s ASN 55 Ca 0.11 0.50 0.14 0.00 -0.71 0.00 0.00 52.86 52.90 1wey s ASN 55 Cb 0.17 0.58 0.85 0.00 0.41 0.00 0.00 41.25 43.27 1wey s ASN 55 CO 0.77 -0.27 1.27 -0.81 -1.51 0.00 0.00 177.10 176.55 1wey n PRO 56 N 2.19 0.49 -0.04 -0.60 -0.04 -1.26 -3.47 135.00 132.28 1wey n PRO 56 Ca -0.17 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.28 1wey n PRO 56 Cb 0.57 -1.45 -0.00 0.00 -0.04 0.00 0.00 33.50 32.57 1wey n PRO 56 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1wey h LEU 57 N 0.00 0.00 -0.64 1.53 3.38 -1.95 -3.38 115.31 114.24 1wey h LEU 57 Ca 0.00 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.10 1wey h LEU 57 Cb 0.00 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.64 1wey h LEU 57 CO 0.00 0.36 0.01 -1.28 0.09 0.00 0.00 178.44 177.62 1wey h SER 58 N -0.62 -0.27 -1.24 -0.43 0.87 -1.97 0.40 113.55 110.30 1wey h SER 58 Ca 0.00 0.16 0.43 0.00 -1.23 0.00 0.00 61.79 61.15 1wey h SER 58 Cb 0.11 0.28 -0.13 0.00 -0.44 0.00 0.00 62.40 62.22 1wey h SER 58 CO 0.00 -0.12 0.79 0.00 -0.53 0.00 0.00 176.83 176.97 1wey n ALA 59 N -2.81 1.22 0.21 6.23 0.00 -1.24 -0.30 120.51 123.82 1wey n ALA 59 Ca 0.10 0.78 -0.09 0.00 0.00 0.00 0.00 53.44 54.23 1wey n ALA 59 Cb 0.37 -0.95 -0.04 0.00 0.00 0.00 0.00 19.45 18.83 1wey n ALA 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wey h ALA 60 N 1.43 -0.67 -0.58 0.00 0.00 -1.08 -3.19 119.26 115.17 1wey h ALA 60 Ca 0.79 -0.13 0.17 0.00 0.00 0.00 0.00 54.91 55.74 1wey h ALA 60 Cb 2.54 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 20.54 1wey h ALA 60 CO -0.42 -0.62 0.45 0.22 0.00 0.00 0.00 179.25 178.88 1wey h ASP 61 N -0.99 0.00 0.36 0.00 1.82 -0.70 0.35 116.42 117.26 1wey h ASP 61 Ca -0.06 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.56 1wey h ASP 61 Cb 0.45 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.45 1wey h ASP 61 CO 0.10 0.00 -0.10 0.00 -1.61 0.00 0.00 179.24 177.62 1wey h ALA 62 N 1.64 1.28 0.00 -0.78 0.00 -0.73 -2.51 119.26 118.17 1wey h ALA 62 Ca 0.28 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1wey h ALA 62 Cb 1.18 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1wey h ALA 62 CO -0.00 0.13 -0.08 -0.09 0.00 0.00 0.00 179.25 179.21 1wey h ARG 63 N 0.00 0.00 -1.06 0.00 2.43 -0.29 -2.79 114.38 112.66 1wey h ARG 63 Ca -0.00 0.00 0.35 0.00 -0.81 0.00 0.00 59.98 59.52 1wey h ARG 63 Cb 0.31 0.00 -0.14 0.00 -0.42 0.00 0.00 29.97 29.72 1wey h ARG 63 CO 0.01 0.00 0.63 1.37 -1.51 0.00 0.00 179.97 180.47 1wey h LEU 64 N -0.65 0.44 -0.46 3.80 8.10 -1.56 1.26 115.31 126.24 1wey h LEU 64 Ca 0.00 0.18 -0.16 0.00 0.11 0.00 0.00 57.88 58.01 1wey h LEU 64 Cb 0.08 0.14 -0.02 0.00 -0.44 0.00 0.00 40.66 40.42 1wey h LEU 64 CO 0.00 -0.16 -0.77 0.03 -4.11 0.00 0.00 178.44 173.44 1wey h ARG 65 N 0.25 0.03 0.00 0.17 3.08 -1.59 -3.46 114.38 112.86 1wey h ARG 65 Ca 0.75 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.77 1wey h ARG 65 Cb 1.88 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.94 1wey h ARG 65 CO -0.56 0.78 0.00 1.28 -1.07 0.00 0.00 179.97 180.40 1wey n LEU 66 N -3.65 0.00 0.00 3.04 4.77 0.43 -4.89 117.00 116.70 1wey n LEU 66 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1wey n LEU 66 Cb 0.74 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.83 1wey n LEU 66 CO 0.44 0.00 0.00 1.57 -1.33 0.00 0.00 177.39 178.07 1wey n HIS 67 N 0.00 0.00 -0.46 -1.77 -0.00 -1.24 -3.91 115.22 107.85 1wey n HIS 67 Ca 0.00 0.00 0.36 0.00 0.46 0.00 0.00 57.72 58.54 1wey n HIS 67 Cb 0.00 0.00 0.56 0.00 -0.12 0.00 0.00 29.99 30.43 1wey n HIS 67 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 1wey n LYS 68 N 3.24 -0.01 -1.03 1.57 5.02 -0.78 -3.31 118.16 122.85 1wey n LYS 68 Ca 0.00 0.84 -0.41 0.00 -2.02 0.00 0.00 58.31 56.73 1wey n LYS 68 Cb 0.00 -1.83 -0.06 0.00 -0.02 0.00 0.00 35.03 33.13 1wey n LYS 68 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1wey n THR 69 N -3.69 0.00 -1.82 -0.18 -2.24 -1.25 -4.24 114.28 100.85 1wey n THR 69 Ca 0.32 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.89 1wey n THR 69 Cb 1.36 -0.09 -0.06 0.00 -2.10 0.00 0.00 70.33 69.44 1wey n THR 69 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1wey s GLU 70 N 0.54 2.10 -0.69 -0.78 2.02 -1.26 -3.84 118.70 116.79 1wey s GLU 70 Ca 0.63 0.09 -0.27 0.00 0.02 0.00 0.00 54.97 55.44 1wey s GLU 70 Cb -0.88 -4.92 0.01 0.00 0.10 0.00 0.00 34.13 28.44 1wey s GLU 70 CO 0.42 -3.88 1.46 0.12 0.02 0.00 0.00 175.26 173.39 1wey s PHE 71 N 12.33 2.10 -2.04 1.61 5.36 0.28 -3.49 117.98 134.14 1wey s PHE 71 Ca 0.81 0.24 0.00 0.00 -0.96 0.00 0.00 56.93 57.02 1wey s PHE 71 Cb -0.10 -4.45 0.00 0.00 -0.34 0.00 0.00 43.02 38.13 1wey s PHE 71 CO 0.04 -2.13 0.00 1.28 -1.46 0.00 0.00 175.22 172.94 1wey n LEU 72 N 10.36 -1.46 0.00 6.12 4.77 -1.26 -1.47 117.00 134.06 1wey n LEU 72 Ca 0.09 0.44 0.00 0.00 -0.03 0.00 0.00 56.01 56.51 1wey n LEU 72 Cb 0.50 -2.72 0.00 0.00 -2.33 0.00 0.00 43.42 38.87 1wey n LEU 72 CO 0.71 -0.95 0.00 0.61 -1.33 0.00 0.00 177.39 176.43 1wey n GLY 73 N -0.61 1.87 3.88 -0.72 0.00 -1.23 -5.07 105.19 103.30 1wey n GLY 73 Ca -0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.45 1wey n GLY 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wey s LYS 74 N -0.10 3.48 -0.12 1.61 -0.14 -0.55 -4.94 119.74 118.99 1wey s LYS 74 Ca 0.00 -0.08 -0.23 0.00 -1.36 0.00 0.00 55.97 54.30 1wey s LYS 74 Cb 0.00 -3.19 -0.03 0.00 -1.68 0.00 0.00 37.83 32.93 1wey s LYS 74 CO 0.00 0.77 0.70 -2.00 -0.76 0.00 0.00 175.35 174.06 1wey s GLU 75 N -1.04 4.35 -0.05 1.68 2.12 -1.26 0.99 118.70 125.49 1wey s GLU 75 Ca 0.16 0.82 -0.01 0.00 0.36 0.00 0.00 54.97 56.30 1wey s GLU 75 Cb -0.12 -3.50 -0.03 0.00 0.26 0.00 0.00 34.13 30.73 1wey s GLU 75 CO 0.05 -0.08 0.02 1.41 -0.54 0.00 0.00 175.26 176.11 1wey s MET 76 N 1.32 2.94 0.32 4.30 -2.45 -1.21 -4.55 119.30 119.98 1wey s MET 76 Ca 0.35 -0.48 0.06 0.00 -1.25 0.00 0.00 55.69 54.38 1wey s MET 76 Cb -0.17 -2.77 -0.01 0.00 1.25 0.00 0.00 34.83 33.13 1wey s MET 76 CO 0.15 0.67 0.45 0.15 1.05 0.00 0.00 175.02 177.49 1wey s LYS 77 N -1.22 3.15 -0.15 4.11 -0.14 -0.27 -1.87 119.74 123.35 1wey s LYS 77 Ca 0.17 -0.98 -0.07 0.00 -1.36 0.00 0.00 55.97 53.72 1wey s LYS 77 Cb -0.11 -2.82 0.06 0.00 -1.68 0.00 0.00 37.83 33.27 1wey s LYS 77 CO 0.06 0.11 0.35 -0.51 -0.76 0.00 0.00 175.35 174.60 1wey s LEU 78 N -4.14 -0.10 -0.09 3.17 1.43 -1.25 0.01 118.68 117.70 1wey s LEU 78 Ca 0.43 0.77 0.04 0.00 -1.03 0.00 0.00 54.13 54.34 1wey s LEU 78 Cb -0.09 1.08 -0.00 0.00 0.03 0.00 0.00 46.19 47.21 1wey s LEU 78 CO 0.31 -0.20 -0.23 -0.31 0.23 0.00 0.00 176.35 176.15 1wey s TYR 79 N 1.75 2.41 -0.35 0.29 2.02 0.51 -4.93 117.35 119.05 1wey s TYR 79 Ca -0.06 -0.93 -0.27 0.00 -0.37 0.00 0.00 57.07 55.43 1wey s TYR 79 Cb -0.10 -1.61 -0.06 0.00 -0.40 0.00 0.00 41.96 39.78 1wey s TYR 79 CO -0.11 -0.36 2.32 1.19 -1.57 0.00 0.00 175.55 177.02 1wey n PHE 80 N 3.44 1.69 -0.41 2.71 3.72 -1.26 -0.54 117.46 126.81 1wey n PHE 80 Ca -0.19 -0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 56.93 1wey n PHE 80 Cb 0.53 -2.68 0.25 0.00 -0.94 0.00 0.00 39.48 36.63 1wey n PHE 80 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1wey n ALA 81 N 13.63 -3.70 0.09 4.37 0.00 -1.22 -4.91 120.51 128.78 1wey n ALA 81 Ca 0.34 -1.51 0.00 0.00 0.00 0.00 0.00 53.44 52.27 1wey n ALA 81 Cb 0.48 -1.57 0.00 0.00 0.00 0.00 0.00 19.45 18.37 1wey n ALA 81 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1wey n GLN 82 N -4.38 0.00 0.13 0.00 6.02 -1.26 -4.85 117.38 113.05 1wey n GLN 82 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 1wey n GLN 82 Cb 0.54 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.80 1wey n GLN 82 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1wey n THR 83 N -3.02 0.00 -3.63 5.09 -2.24 -1.26 -5.09 114.28 104.13 1wey n THR 83 Ca 0.00 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.73 1wey n THR 83 Cb 0.00 -0.05 -0.06 0.00 -2.10 0.00 0.00 70.33 68.12 1wey n THR 83 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1wey s LEU 84 N -6.13 -0.19 0.63 3.22 0.20 -1.26 -5.17 118.68 109.99 1wey s LEU 84 Ca 0.00 0.30 -0.11 0.00 0.69 0.00 0.00 54.13 55.01 1wey s LEU 84 Cb 0.00 1.39 -0.03 0.00 -0.43 0.00 0.00 46.19 47.12 1wey s LEU 84 CO 0.00 -0.10 1.04 -2.28 -0.29 0.00 0.00 176.35 174.71 1wey s HIS 85 N -0.38 3.48 -0.23 5.38 2.46 -1.26 -5.04 115.29 119.70 1wey s HIS 85 Ca 0.05 1.34 -0.12 0.00 0.47 0.00 0.00 55.06 56.80 1wey s HIS 85 Cb -0.03 -2.77 -0.05 0.00 -0.13 0.00 0.00 32.58 29.60 1wey s HIS 85 CO -0.09 -0.82 0.22 0.42 -2.47 0.00 0.00 174.74 172.00 1wey s ILE 86 N -3.11 5.32 0.91 0.89 1.01 -1.26 -5.09 121.20 119.88 1wey s ILE 86 Ca 0.56 0.31 -0.12 0.00 0.00 0.00 0.00 60.65 61.41 1wey s ILE 86 Cb -0.12 -3.55 0.20 0.00 0.01 0.00 0.00 42.46 39.00 1wey s ILE 86 CO 0.53 0.33 1.24 0.61 0.00 0.00 0.00 174.94 177.65 1wey n GLY 87 N 4.13 -0.88 1.47 6.18 0.00 -1.26 -4.96 105.19 109.87 1wey n GLY 87 Ca -0.13 -1.80 0.11 0.00 0.00 0.00 0.00 46.02 44.19 1wey n GLY 87 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wey n SER 88 N -3.59 -7.93 -0.11 1.61 2.88 -1.26 -4.88 113.62 100.34 1wey n SER 88 Ca 0.17 1.59 -0.22 0.00 -1.33 0.00 0.00 58.87 59.08 1wey n SER 88 Cb 0.59 -4.93 -0.09 0.00 -0.75 0.00 0.00 64.21 59.02 1wey n SER 88 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wey n SER 89 N -3.72 1.89 -2.56 -3.46 7.64 -1.26 -5.09 113.62 107.07 1wey n SER 89 Ca -0.06 0.41 -0.06 0.00 1.01 0.00 0.00 58.87 60.18 1wey n SER 89 Cb 0.61 -0.89 -0.05 0.00 -1.01 0.00 0.00 64.21 62.87 1wey n SER 89 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1wey n HIS 90 N -4.40 -4.46 0.00 1.43 -0.00 -1.26 -5.01 115.22 101.52 1wey n HIS 90 Ca -0.35 2.60 0.00 0.00 -0.00 0.00 0.00 57.72 59.97 1wey n HIS 90 Cb 0.69 -3.89 0.00 0.00 -0.00 0.00 0.00 29.99 26.78 1wey n HIS 90 CO 0.00 0.00 0.00 1.47 -0.00 0.00 0.00 176.34 177.81 1wey n LEU 91 N 1.69 0.00 -2.29 0.27 -0.00 -1.26 -5.10 117.00 110.30 1wey n LEU 91 Ca -0.41 0.00 -0.04 0.00 -0.00 0.00 0.00 56.01 55.56 1wey n LEU 91 Cb 0.63 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 44.05 1wey n LEU 91 CO 0.38 0.00 0.01 0.00 -0.00 0.00 0.00 177.39 177.78 1wey n ALA 92 N -1.32 -3.03 -1.19 1.47 0.00 -1.26 -5.02 120.51 110.16 1wey n ALA 92 Ca 0.00 0.68 -0.29 0.00 0.00 0.00 0.00 53.44 53.83 1wey n ALA 92 Cb 0.00 -2.17 0.15 0.00 0.00 0.00 0.00 19.45 17.44 1wey n ALA 92 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1wey s PRO 93 N -1.90 0.95 -0.82 0.00 0.04 -1.26 -4.91 135.00 127.10 1wey s PRO 93 Ca 0.14 0.70 -0.25 0.00 0.04 0.00 0.00 61.00 61.63 1wey s PRO 93 Cb -0.04 -1.78 -0.04 0.00 0.04 0.00 0.00 34.50 32.68 1wey s PRO 93 CO 0.45 -2.42 1.93 -1.25 0.04 0.00 0.00 177.00 175.75 1wey s PRO 94 N -4.95 2.57 0.45 0.56 0.04 -1.26 -4.96 135.00 127.45 1wey s PRO 94 Ca 0.64 -0.03 -0.25 0.00 0.04 0.00 0.00 61.00 61.40 1wey s PRO 94 Cb -0.18 -4.87 -0.08 0.00 0.04 0.00 0.00 34.50 29.40 1wey s PRO 94 CO 0.57 -3.20 1.43 0.27 0.04 0.00 0.00 177.00 176.10 1wey n ASN 95 N 13.67 3.30 -4.71 6.66 6.94 -1.26 -4.98 115.26 134.87 1wey n ASN 95 Ca 0.35 1.12 -0.30 0.00 -0.02 0.00 0.00 54.58 55.73 1wey n ASN 95 Cb 0.48 -1.60 0.14 0.00 -2.36 0.00 0.00 39.78 36.45 1wey n ASN 95 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 1wey s PRO 96 N -2.44 1.17 0.50 -0.53 0.04 -1.26 -4.85 135.00 127.63 1wey s PRO 96 Ca 0.61 0.79 0.00 0.00 0.04 0.00 0.00 61.00 62.44 1wey s PRO 96 Cb -0.45 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.29 1wey s PRO 96 CO 0.57 -2.30 0.00 -3.47 0.04 0.00 0.00 177.00 171.85 1wey n ASP 97 N -3.92 -8.84 -3.72 6.66 2.03 -1.26 -5.08 116.55 102.42 1wey n ASP 97 Ca 0.07 1.27 -0.11 0.00 0.52 0.00 0.00 54.79 56.54 1wey n ASP 97 Cb 0.55 -4.89 -0.05 0.00 -0.72 0.00 0.00 41.12 36.01 1wey n ASP 97 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1wey s LYS 98 N -3.43 1.68 0.10 -0.67 1.02 -1.26 -5.06 119.74 112.12 1wey s LYS 98 Ca 0.00 -1.44 -0.20 0.00 0.02 0.00 0.00 55.97 54.34 1wey s LYS 98 Cb 0.00 0.46 -0.09 0.00 -0.52 0.00 0.00 37.83 37.68 1wey s LYS 98 CO 0.00 -0.70 1.71 0.77 -0.92 0.00 0.00 175.35 176.22 1wey h SER 99 N 2.22 0.21 -4.89 2.83 0.02 -2.02 -3.48 113.55 108.44 1wey h SER 99 Ca -0.28 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 1wey h SER 99 Cb 1.25 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.74 1wey h SER 99 CO 0.38 0.21 -0.56 0.61 -1.14 0.00 0.00 176.83 176.33 1wey n GLY 100 N -0.97 -2.16 3.57 -3.77 0.00 -1.26 -4.87 105.19 95.74 1wey n GLY 100 Ca -0.04 0.83 -0.40 0.00 0.00 0.00 0.00 46.02 46.40 1wey n GLY 100 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wey s PRO 101 N -2.04 2.98 0.18 1.61 0.04 -1.26 -4.94 135.00 131.56 1wey s PRO 101 Ca 0.14 0.92 0.04 0.00 0.04 0.00 0.00 61.00 62.14 1wey s PRO 101 Cb -0.04 -4.28 -0.01 0.00 0.04 0.00 0.00 34.50 30.20 1wey s PRO 101 CO 0.66 -2.30 0.14 0.45 0.04 0.00 0.00 177.00 175.99 1wey n SER 102 N 11.45 -0.25 0.00 6.66 2.88 -1.26 -5.18 113.62 127.92 1wey n SER 102 Ca 0.21 -2.17 0.00 0.00 -1.33 0.00 0.00 58.87 55.58 1wey n SER 102 Cb 0.50 0.87 0.00 0.00 -0.75 0.00 0.00 64.21 64.82 1wey n SER 102 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wey n SER 103 N -2.25 0.00 0.00 -3.46 2.88 -1.26 -5.30 113.62 104.23 1wey n SER 103 Ca 0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 1wey n SER 103 Cb 0.32 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.78 1wey n SER 103 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42