#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 -0.67 -0.41 1.61 0.15 -1.26 -5.11 113.70 108.02 1wey s SER 2 Ca 0.00 1.19 -0.27 0.00 0.70 0.00 0.00 55.95 57.56 1wey s SER 2 Cb 0.00 1.14 -0.04 0.00 -1.71 0.00 0.00 66.02 65.41 1wey s SER 2 CO 0.00 -0.21 2.04 -0.55 1.20 0.00 0.00 173.24 175.72 1wey s SER 3 N 0.89 5.33 0.65 5.45 0.15 -1.26 -4.96 113.70 119.95 1wey s SER 3 Ca -0.05 1.16 0.05 0.00 0.70 0.00 0.00 55.95 57.81 1wey s SER 3 Cb -0.05 -2.52 0.11 0.00 -1.71 0.00 0.00 66.02 61.85 1wey s SER 3 CO -0.08 -2.18 0.90 -0.83 1.20 0.00 0.00 173.24 172.25 1wey s GLY 4 N 8.38 1.74 -0.23 9.45 0.00 -1.26 -5.06 107.32 120.34 1wey s GLY 4 Ca 0.85 -1.98 0.14 0.00 0.00 0.00 0.00 44.72 43.73 1wey s GLY 4 CO 0.29 -1.46 1.33 -1.14 0.00 0.00 0.00 173.10 172.12 1wey n SER 5 N -2.54 -0.56 -3.61 1.64 3.41 -1.26 -5.00 113.62 105.70 1wey n SER 5 Ca 0.16 -2.12 -0.38 0.00 -0.26 0.00 0.00 58.87 56.26 1wey n SER 5 Cb 0.61 0.30 0.00 0.00 -0.26 0.00 0.00 64.21 64.86 1wey n SER 5 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1wey n SER 6 N -0.91 6.41 -4.96 4.04 3.41 -1.26 -4.84 113.62 115.52 1wey n SER 6 Ca -0.13 -3.60 -0.23 0.00 -0.26 0.00 0.00 58.87 54.66 1wey n SER 6 Cb 0.85 -1.07 0.04 0.00 -0.26 0.00 0.00 64.21 63.77 1wey n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1wey s GLY 7 N -1.88 1.75 -0.22 5.00 0.00 -1.26 -1.88 107.32 108.83 1wey s GLY 7 Ca 0.38 -1.17 -0.12 0.00 0.00 0.00 0.00 44.72 43.81 1wey s GLY 7 CO -0.06 -0.88 0.54 1.08 0.00 0.00 0.00 173.10 173.78 1wey s LEU 8 N -4.84 -0.54 -0.56 0.66 1.43 0.27 -3.15 118.68 111.95 1wey s LEU 8 Ca 0.56 1.20 -0.18 0.00 -1.03 0.00 0.00 54.13 54.68 1wey s LEU 8 Cb -0.10 1.83 0.10 0.00 0.03 0.00 0.00 46.19 48.05 1wey s LEU 8 CO 0.40 -0.22 0.61 -0.63 0.23 0.00 0.00 176.35 176.75 1wey s ILE 9 N 1.65 4.97 -0.38 -0.59 -1.09 0.80 -0.27 121.20 126.29 1wey s ILE 9 Ca -0.09 -1.08 -0.22 0.00 -2.23 0.00 0.00 60.65 57.03 1wey s ILE 9 Cb -0.07 -4.40 0.01 0.00 -1.58 0.00 0.00 42.46 36.42 1wey s ILE 9 CO -0.16 -0.97 0.71 0.00 -1.23 0.00 0.00 174.94 173.29 1wey s ALA 10 N 2.30 3.42 -0.53 9.38 0.00 0.66 -0.85 121.76 136.13 1wey s ALA 10 Ca 0.09 -0.82 -0.19 0.00 0.00 0.00 0.00 51.96 51.03 1wey s ALA 10 Cb -0.25 -3.30 0.07 0.00 0.00 0.00 0.00 23.12 19.64 1wey s ALA 10 CO 0.06 -1.51 0.67 0.00 0.00 0.00 0.00 175.76 174.99 1wey s VAL 12 N 2.77 5.40 -0.86 0.00 1.01 -1.26 -0.96 120.40 126.51 1wey s VAL 12 Ca 0.15 0.34 0.21 0.00 0.00 0.00 0.00 61.98 62.68 1wey s VAL 12 Cb -0.20 -3.48 -0.24 0.00 0.00 0.00 0.00 36.38 32.47 1wey s VAL 12 CO 0.11 0.58 0.83 0.00 0.00 0.00 0.00 175.10 176.61 1wey n ALA 13 N 2.24 4.47 -2.69 5.51 0.00 -1.26 -4.84 120.51 123.93 1wey n ALA 13 Ca -0.18 -0.57 -0.42 0.00 0.00 0.00 0.00 53.44 52.26 1wey n ALA 13 Cb 0.54 -0.75 -0.03 0.00 0.00 0.00 0.00 19.45 19.21 1wey n ALA 13 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1wey s ASN 14 N -3.12 6.22 0.64 0.00 3.84 -1.26 -4.87 114.94 116.40 1wey s ASN 14 Ca 0.06 -0.60 0.29 0.00 0.21 0.00 0.00 52.86 52.82 1wey s ASN 14 Cb 0.15 -2.48 1.53 0.00 -0.55 0.00 0.00 41.25 39.90 1wey s ASN 14 CO 0.85 -1.54 1.89 -2.24 -2.79 0.00 0.00 177.10 173.27 1wey h ASP 15 N 9.67 0.00 0.06 -4.21 2.03 -2.00 -0.94 116.42 121.04 1wey h ASP 15 Ca -0.28 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 56.02 1wey h ASP 15 Cb 1.06 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.56 1wey h ASP 15 CO 1.20 0.00 -0.03 0.44 -1.03 0.00 0.00 179.24 179.82 1wey h ASP 16 N 0.00 -0.07 -1.02 4.15 3.32 -1.99 -2.35 116.42 118.47 1wey h ASP 16 Ca 0.07 -0.08 0.29 0.00 0.02 0.00 0.00 57.03 57.33 1wey h ASP 16 Cb 0.87 0.02 -0.04 0.00 0.22 0.00 0.00 39.33 40.40 1wey h ASP 16 CO -0.00 0.03 1.09 0.58 -1.72 0.00 0.00 179.24 179.22 1wey h VAL 17 N -0.17 0.08 -0.48 -1.35 2.07 -1.45 1.77 116.25 116.71 1wey h VAL 17 Ca -0.01 0.00 -0.20 0.00 0.82 0.00 0.00 66.70 67.31 1wey h VAL 17 Cb 0.15 0.13 -0.12 0.00 -1.52 0.00 0.00 31.29 29.93 1wey h VAL 17 CO 0.01 0.00 0.26 0.49 0.02 0.00 0.00 177.57 178.35 1wey n PHE 18 N -3.42 1.53 -4.28 1.57 3.01 -0.88 -3.69 117.46 111.30 1wey n PHE 18 Ca 0.22 -1.00 -0.24 0.00 1.01 0.00 0.00 57.45 57.44 1wey n PHE 18 Cb 1.40 -0.55 -0.08 0.00 -0.01 0.00 0.00 39.48 40.25 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 -0.31 4.51 0.24 4.37 1.04 0.60 -5.03 113.70 119.12 1wey s SER 19 Ca 0.31 -0.60 0.23 0.00 0.48 0.00 0.00 55.95 56.37 1wey s SER 19 Cb 0.25 -0.84 0.09 0.00 0.10 0.00 0.00 66.02 65.62 1wey s SER 19 CO 0.07 0.04 1.17 -0.33 0.98 0.00 0.00 173.24 175.16 1wey h GLU 20 N 2.22 0.00 -0.09 4.02 5.08 -1.90 -3.33 114.58 120.58 1wey h GLU 20 Ca -0.45 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 57.92 1wey h GLU 20 Cb 1.23 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 1wey h GLU 20 CO 0.59 0.00 -0.05 0.45 -1.00 0.00 0.00 179.01 179.00 1wey n SER 21 N -2.71 -0.09 0.00 1.42 2.88 -1.26 -4.82 113.62 109.04 1wey n SER 21 Ca 0.01 1.03 0.00 0.00 -1.33 0.00 0.00 58.87 58.58 1wey n SER 21 Cb 0.54 -0.46 0.00 0.00 -0.75 0.00 0.00 64.21 63.54 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 -3.16 0.00 -0.32 -1.46 4.07 -1.26 -4.98 120.64 113.52 1wey n GLU 22 Ca 0.00 0.00 0.28 0.00 -0.06 0.00 0.00 57.16 57.38 1wey n GLU 22 Cb 0.02 0.00 0.53 0.00 -0.06 0.00 0.00 31.44 31.93 1wey n GLU 22 CO 0.00 0.00 0.00 1.15 -0.06 0.00 0.00 177.13 178.22 1wey h THR 23 N 0.00 0.09 0.13 6.31 2.02 -1.86 0.12 112.91 119.72 1wey h THR 23 Ca 0.00 -0.03 0.02 0.00 0.77 0.00 0.00 66.41 67.17 1wey h THR 23 Cb 0.00 -0.01 -0.05 0.00 -1.74 0.00 0.00 68.15 66.35 1wey h THR 23 CO 0.00 0.02 -0.44 -0.09 0.37 0.00 0.00 175.52 175.38 1wey h ARG 24 N 0.09 -0.65 -0.72 6.66 2.43 -1.67 -2.78 114.38 117.73 1wey h ARG 24 Ca 0.79 0.04 0.08 0.00 -0.81 0.00 0.00 59.98 60.09 1wey h ARG 24 Cb 2.00 0.15 -0.11 0.00 -0.42 0.00 0.00 29.97 31.59 1wey h ARG 24 CO -0.73 -0.44 -0.53 0.00 -1.51 0.00 0.00 179.97 176.76 1wey h ALA 25 N -0.24 -0.52 -0.74 2.80 0.00 -1.06 0.27 119.26 119.77 1wey h ALA 25 Ca 0.02 0.09 0.29 0.00 0.00 0.00 0.00 54.91 55.31 1wey h ALA 25 Cb 0.70 1.18 -0.13 0.00 0.00 0.00 0.00 17.79 19.54 1wey h ALA 25 CO -0.25 -0.94 0.34 1.63 0.00 0.00 0.00 179.25 180.04 1wey n LYS 26 N -5.34 -0.05 0.02 0.00 5.02 -1.05 0.11 118.16 116.87 1wey n LYS 26 Ca 0.01 1.03 -0.12 0.00 -2.02 0.00 0.00 58.31 57.21 1wey n LYS 26 Cb 0.32 -1.81 -0.09 0.00 -0.02 0.00 0.00 35.03 33.42 1wey n LYS 26 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 1wey h PHE 27 N 0.00 -0.11 -0.20 2.13 3.04 -0.48 -3.10 116.94 118.21 1wey h PHE 27 Ca 0.60 -0.00 0.04 0.00 3.98 0.00 0.00 57.97 62.59 1wey h PHE 27 Cb 1.55 0.04 -0.04 0.00 2.56 0.00 0.00 35.95 40.06 1wey h PHE 27 CO -0.06 0.40 -0.07 0.93 -2.02 0.00 0.00 178.31 177.49 1wey h GLU 28 N -0.73 -0.03 -0.79 1.11 5.08 0.12 -2.16 114.58 117.18 1wey h GLU 28 Ca -0.01 0.00 0.18 0.00 -1.00 0.00 0.00 59.36 58.53 1wey h GLU 28 Cb 0.56 0.01 -0.12 0.00 0.50 0.00 0.00 28.75 29.70 1wey h GLU 28 CO 0.02 -0.02 0.21 1.03 -1.00 0.00 0.00 179.01 179.25 1wey h SER 29 N -0.03 0.05 -0.68 1.42 0.87 -0.59 0.63 113.55 115.22 1wey h SER 29 Ca 0.10 0.16 0.20 0.00 -1.23 0.00 0.00 61.79 61.02 1wey h SER 29 Cb 0.18 0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 62.32 1wey h SER 29 CO -0.22 -0.06 0.61 -0.07 -0.53 0.00 0.00 176.83 176.57 1wey h LEU 30 N 0.28 0.00 0.00 2.23 3.38 -1.31 0.28 115.31 120.17 1wey h LEU 30 Ca 0.46 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 58.18 1wey h LEU 30 Cb 0.83 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.54 1wey h LEU 30 CO -0.55 0.00 -1.70 0.49 0.09 0.00 0.00 178.44 176.77 1wey n PHE 31 N -3.88 0.23 -0.28 1.13 3.72 0.19 -4.42 117.46 114.14 1wey n PHE 31 Ca 0.14 0.10 0.20 0.00 -0.05 0.00 0.00 57.45 57.84 1wey n PHE 31 Cb 0.86 -0.84 0.49 0.00 -0.94 0.00 0.00 39.48 39.06 1wey n PHE 31 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 1wey h ARG 32 N -1.00 0.43 -1.80 -1.08 1.12 -0.26 -0.25 114.38 111.54 1wey h ARG 32 Ca -0.37 -0.03 0.52 0.00 -1.11 0.00 0.00 59.98 58.99 1wey h ARG 32 Cb 1.28 -0.10 -0.07 0.00 -0.01 0.00 0.00 29.97 31.07 1wey h ARG 32 CO -0.23 0.28 1.31 0.00 -3.11 0.00 0.00 179.97 178.23 1wey h THR 33 N 0.44 0.09 0.00 0.20 1.03 -0.66 -2.68 112.91 111.32 1wey h THR 33 Ca 0.52 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.92 1wey h THR 33 Cb 1.27 0.09 0.00 0.00 -1.07 0.00 0.00 68.15 68.43 1wey h THR 33 CO -0.23 0.00 0.00 -1.22 -0.01 0.00 0.00 175.52 174.06 1wey n TYR 34 N -3.96 0.00 -4.04 0.00 4.01 -0.11 -5.00 117.16 108.06 1wey n TYR 34 Ca 0.40 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.83 1wey n TYR 34 Cb 1.86 -0.16 -0.06 0.00 -0.31 0.00 0.00 39.34 40.66 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 -3.52 5.71 -0.14 7.72 -1.08 -1.01 -5.02 116.67 119.33 1wey s ASP 35 Ca 0.00 0.08 0.16 0.00 -0.52 0.00 0.00 52.55 52.27 1wey s ASP 35 Cb 0.00 -1.61 -0.24 0.00 -1.46 0.00 0.00 42.92 39.61 1wey s ASP 35 CO 0.00 0.20 0.28 0.29 0.52 0.00 0.00 175.17 176.46 1wey n LYS 36 N 0.64 0.67 -0.32 4.34 4.76 -1.26 -4.11 118.16 122.88 1wey n LYS 36 Ca -0.09 0.11 -0.06 0.00 -2.87 0.00 0.00 58.31 55.40 1wey n LYS 36 Cb 0.52 -1.62 0.05 0.00 -1.84 0.00 0.00 35.03 32.14 1wey n LYS 36 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1wey n ASP 37 N -2.87 3.13 -4.67 4.39 8.00 -1.26 -4.87 116.55 118.39 1wey n ASP 37 Ca -0.27 -2.41 -0.41 0.00 0.71 0.00 0.00 54.79 52.40 1wey n ASP 37 Cb 1.12 -0.59 -0.04 0.00 -0.02 0.00 0.00 41.12 41.59 1wey n ASP 37 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1wey s THR 38 N -0.92 4.90 -0.10 -3.53 -4.23 -1.26 -4.60 115.64 105.90 1wey s THR 38 Ca 0.15 1.55 -0.15 0.00 -1.18 0.00 0.00 61.69 62.06 1wey s THR 38 Cb 0.13 -4.10 -0.05 0.00 1.34 0.00 0.00 72.50 69.82 1wey s THR 38 CO 0.03 0.04 0.38 0.42 -0.54 0.00 0.00 174.62 174.95 1wey s THR 39 N 2.12 5.20 -0.17 3.99 -4.23 0.08 -4.90 115.64 117.71 1wey s THR 39 Ca 0.36 0.75 -0.01 0.00 -1.18 0.00 0.00 61.69 61.61 1wey s THR 39 Cb -0.16 -3.71 -0.01 0.00 1.34 0.00 0.00 72.50 69.96 1wey s THR 39 CO 0.12 0.43 -0.11 -0.36 -0.54 0.00 0.00 174.62 174.16 1wey s PHE 40 N 0.03 2.87 -0.29 3.99 0.40 -1.26 -0.50 117.98 123.22 1wey s PHE 40 Ca 0.22 -0.91 0.03 0.00 -0.60 0.00 0.00 56.93 55.67 1wey s PHE 40 Cb -0.15 -1.96 0.07 0.00 0.51 0.00 0.00 43.02 41.50 1wey s PHE 40 CO 0.09 -0.44 -0.05 -0.65 0.70 0.00 0.00 175.22 174.87 1wey s GLN 41 N 0.94 1.96 -0.11 0.44 -0.21 0.88 -4.97 119.66 118.59 1wey s GLN 41 Ca -0.02 -1.55 -0.22 0.00 0.02 0.00 0.00 55.36 53.60 1wey s GLN 41 Cb -0.15 -3.01 -0.04 0.00 1.00 0.00 0.00 33.01 30.82 1wey s GLN 41 CO -0.01 -0.71 0.63 0.71 -2.12 0.00 0.00 175.29 173.80 1wey s TYR 42 N 1.03 3.52 -0.46 0.91 1.51 -1.26 -0.63 117.35 121.96 1wey s TYR 42 Ca -0.02 1.09 0.00 0.00 -1.01 0.00 0.00 57.07 57.14 1wey s TYR 42 Cb -0.20 -2.74 0.12 0.00 -0.11 0.00 0.00 41.96 39.04 1wey s TYR 42 CO -0.06 0.05 0.23 -0.06 -1.11 0.00 0.00 175.55 174.60 1wey s PHE 43 N 1.00 3.51 0.48 2.71 0.08 -0.15 -4.93 117.98 120.67 1wey s PHE 43 Ca 0.33 -2.80 0.34 0.00 0.12 0.00 0.00 56.93 54.92 1wey s PHE 43 Cb -0.17 -3.06 1.81 0.00 -0.57 0.00 0.00 43.02 41.04 1wey s PHE 43 CO 0.14 -0.89 2.19 -0.22 -0.10 0.00 0.00 175.22 176.34 1wey h LYS 44 N 7.38 0.00 -0.24 0.44 3.64 -1.95 0.98 116.57 126.82 1wey h LYS 44 Ca -0.07 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.14 1wey h LYS 44 Cb 0.99 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.80 1wey h LYS 44 CO 0.65 0.04 -0.54 0.77 -2.27 0.00 0.00 179.45 178.10 1wey h SER 45 N 0.00 0.79 -0.05 4.20 0.02 -1.96 -3.25 113.55 113.30 1wey h SER 45 Ca -0.00 -0.42 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 1wey h SER 45 Cb 0.20 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.51 1wey h SER 45 CO 0.01 1.18 0.00 0.49 -1.14 0.00 0.00 176.83 177.36 1wey n PHE 46 N -3.98 0.19 -3.92 3.45 3.72 -0.81 -4.97 117.46 111.13 1wey n PHE 46 Ca -0.04 -0.94 -0.34 0.00 -0.05 0.00 0.00 57.45 56.08 1wey n PHE 46 Cb 0.61 -0.17 -0.06 0.00 -0.94 0.00 0.00 39.48 38.92 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 -1.18 -0.77 -4.03 -1.08 4.76 0.33 -4.87 118.16 111.32 1wey n LYS 47 Ca 0.16 0.11 -0.24 0.00 -2.87 0.00 0.00 58.31 55.47 1wey n LYS 47 Cb 0.66 -3.74 -0.07 0.00 -1.84 0.00 0.00 35.03 30.05 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 -5.98 2.29 -0.25 1.97 0.52 -0.84 -4.00 118.95 112.66 1wey s ARG 48 Ca 0.66 -1.76 -0.04 0.00 -0.52 0.00 0.00 55.73 54.07 1wey s ARG 48 Cb -0.38 -2.07 0.09 0.00 0.52 0.00 0.00 34.95 33.11 1wey s ARG 48 CO 0.82 -0.10 0.14 0.08 0.02 0.00 0.00 175.30 176.25 1wey s VAL 49 N -2.56 -0.12 -0.37 3.52 1.01 -0.37 -0.98 120.40 120.53 1wey s VAL 49 Ca 0.42 -0.51 -0.24 0.00 0.00 0.00 0.00 61.98 61.65 1wey s VAL 49 Cb 0.02 -0.83 0.01 0.00 0.00 0.00 0.00 36.38 35.58 1wey s VAL 49 CO 0.23 -0.53 0.84 -0.60 0.00 0.00 0.00 175.10 175.04 1wey s ARG 50 N 2.15 3.79 -0.28 2.72 3.52 0.20 -0.25 118.95 130.80 1wey s ARG 50 Ca 0.07 0.41 -0.04 0.00 -0.13 0.00 0.00 55.73 56.04 1wey s ARG 50 Cb -0.16 -3.81 0.02 0.00 -1.56 0.00 0.00 34.95 29.45 1wey s ARG 50 CO -0.26 -0.89 0.01 0.42 -0.81 0.00 0.00 175.30 173.78 1wey s ILE 51 N 3.24 3.42 -0.14 4.11 1.01 0.63 -0.08 121.20 133.39 1wey s ILE 51 Ca 0.34 -0.90 -0.07 0.00 0.00 0.00 0.00 60.65 60.02 1wey s ILE 51 Cb -0.13 -2.77 -0.04 0.00 0.01 0.00 0.00 42.46 39.53 1wey s ILE 51 CO 0.17 0.11 0.11 0.20 0.00 0.00 0.00 174.94 175.54 1wey s ASN 52 N 1.40 6.13 0.30 3.58 0.01 0.35 -0.57 114.94 126.15 1wey s ASN 52 Ca 0.01 0.33 0.02 0.00 -0.71 0.00 0.00 52.86 52.51 1wey s ASN 52 Cb -0.17 -1.99 0.02 0.00 0.41 0.00 0.00 41.25 39.51 1wey s ASN 52 CO -0.01 0.33 0.17 0.49 -1.51 0.00 0.00 177.10 176.57 1wey n PHE 53 N 2.53 -0.57 0.51 2.20 3.01 -0.79 -0.74 117.46 123.61 1wey n PHE 53 Ca -0.19 -1.33 0.10 0.00 1.01 0.00 0.00 57.45 57.04 1wey n PHE 53 Cb 0.54 -0.24 -0.13 0.00 -0.01 0.00 0.00 39.48 39.64 1wey n PHE 53 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1wey n SER 54 N -1.72 0.68 -3.77 4.37 2.88 -1.26 -4.54 113.62 110.26 1wey n SER 54 Ca -0.04 -0.54 -0.13 0.00 -1.33 0.00 0.00 58.87 56.84 1wey n SER 54 Cb 0.35 1.41 -0.09 0.00 -0.75 0.00 0.00 64.21 65.14 1wey n SER 54 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1wey s ASN 55 N -3.50 -0.16 0.32 -3.46 2.20 -1.26 -4.88 114.94 104.20 1wey s ASN 55 Ca 0.01 0.02 0.11 0.00 -0.94 0.00 0.00 52.86 52.06 1wey s ASN 55 Cb 0.14 0.31 0.55 0.00 -2.00 0.00 0.00 41.25 40.24 1wey s ASN 55 CO 0.82 -0.46 1.73 1.55 -2.94 0.00 0.00 177.10 177.79 1wey h PRO 56 N 3.81 0.01 0.03 3.55 0.13 -1.92 -3.23 132.00 134.37 1wey h PRO 56 Ca -0.30 -0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.83 1wey h PRO 56 Cb 1.18 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 1wey h PRO 56 CO 0.41 0.49 -0.22 -0.07 -0.23 0.00 0.00 178.00 178.38 1wey h LEU 57 N 0.01 -0.68 -0.21 1.56 3.38 -1.98 -2.80 115.31 114.59 1wey h LEU 57 Ca -0.00 0.07 0.06 0.00 0.09 0.00 0.00 57.88 58.10 1wey h LEU 57 Cb 0.86 0.25 -0.07 0.00 0.09 0.00 0.00 40.66 41.80 1wey h LEU 57 CO 0.06 -0.23 -0.25 -1.28 0.09 0.00 0.00 178.44 176.84 1wey h SER 58 N -0.30 -0.80 -1.42 -0.43 0.87 -2.00 -0.44 113.55 109.02 1wey h SER 58 Ca 0.00 0.14 0.44 0.00 -1.23 0.00 0.00 61.79 61.14 1wey h SER 58 Cb 0.31 0.37 -0.09 0.00 -0.44 0.00 0.00 62.40 62.55 1wey h SER 58 CO -0.13 -0.29 0.99 0.00 -0.53 0.00 0.00 176.83 176.86 1wey n ALA 59 N -2.79 1.38 0.03 6.23 0.00 -1.08 -0.25 120.51 124.04 1wey n ALA 59 Ca -0.01 0.62 -0.03 0.00 0.00 0.00 0.00 53.44 54.02 1wey n ALA 59 Cb 0.29 -0.91 -0.01 0.00 0.00 0.00 0.00 19.45 18.82 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 1.04 -0.20 -1.06 0.00 0.00 -0.84 -3.20 119.26 114.99 1wey h ALA 60 Ca 0.76 -0.04 0.28 0.00 0.00 0.00 0.00 54.91 55.91 1wey h ALA 60 Cb 2.79 0.06 -0.11 0.00 0.00 0.00 0.00 17.79 20.54 1wey h ALA 60 CO -0.17 -0.19 0.67 -0.44 0.00 0.00 0.00 179.25 179.12 1wey h ASP 61 N -0.82 0.47 -0.61 0.00 5.19 -0.53 0.50 116.42 120.62 1wey h ASP 61 Ca -0.02 0.11 -0.01 0.00 -0.62 0.00 0.00 57.03 56.49 1wey h ASP 61 Cb 0.13 0.04 -0.03 0.00 0.18 0.00 0.00 39.33 39.64 1wey h ASP 61 CO 0.03 0.05 0.36 0.00 -3.12 0.00 0.00 179.24 176.56 1wey h ALA 62 N 1.65 1.45 0.23 3.45 0.00 -1.03 -1.19 119.26 123.83 1wey h ALA 62 Ca 0.64 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.45 1wey h ALA 62 Cb 1.58 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1wey h ALA 62 CO -0.36 0.46 -0.11 -0.09 0.00 0.00 0.00 179.25 179.15 1wey h ARG 63 N 0.87 -0.29 -0.88 0.00 2.43 0.00 -1.84 114.38 114.67 1wey h ARG 63 Ca 0.22 0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.49 1wey h ARG 63 Cb -0.01 0.07 -0.07 0.00 -0.42 0.00 0.00 29.97 29.54 1wey h ARG 63 CO -0.04 0.03 0.54 1.37 -1.51 0.00 0.00 179.97 180.36 1wey h LEU 64 N -0.65 0.83 -0.27 3.80 8.10 -1.31 0.16 115.31 125.96 1wey h LEU 64 Ca -0.03 0.02 0.00 0.00 0.11 0.00 0.00 57.88 57.98 1wey h LEU 64 Cb 0.46 -0.15 0.00 0.00 -0.44 0.00 0.00 40.66 40.54 1wey h LEU 64 CO 0.05 0.51 0.00 0.54 -4.11 0.00 0.00 178.44 175.43 1wey n ARG 65 N -4.63 0.11 0.00 0.17 1.74 -0.46 -4.82 116.66 108.76 1wey n ARG 65 Ca 0.13 0.28 0.00 0.00 -0.77 0.00 0.00 57.85 57.50 1wey n ARG 65 Cb 0.21 -1.68 0.00 0.00 -1.02 0.00 0.00 32.46 29.97 1wey n ARG 65 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1wey n LEU 66 N -1.88 0.00 0.00 0.55 4.77 0.55 -4.98 117.00 116.01 1wey n LEU 66 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 1wey n LEU 66 Cb 0.24 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1wey n LEU 66 CO 0.20 0.00 0.00 1.57 -1.33 0.00 0.00 177.39 177.83 1wey n HIS 67 N 0.00 0.00 -0.42 -1.77 -0.00 -1.22 -3.96 115.22 107.85 1wey n HIS 67 Ca 0.00 0.00 0.33 0.00 0.46 0.00 0.00 57.72 58.51 1wey n HIS 67 Cb 0.00 0.00 0.53 0.00 -0.12 0.00 0.00 29.99 30.40 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 5.70 -0.01 -1.09 1.57 4.01 -0.90 -3.46 118.16 123.99 1wey n LYS 68 Ca 0.00 0.83 -0.42 0.00 -0.51 0.00 0.00 58.31 58.20 1wey n LYS 68 Cb 0.00 -1.76 -0.06 0.00 -0.51 0.00 0.00 35.03 32.70 1wey n LYS 68 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 1wey n THR 69 N -3.73 0.00 -1.80 -0.18 -2.24 -1.25 -4.18 114.28 100.90 1wey n THR 69 Ca 0.30 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.88 1wey n THR 69 Cb 1.27 -0.17 -0.06 0.00 -2.10 0.00 0.00 70.33 69.27 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 1.04 2.04 -0.32 -0.78 2.02 -1.26 -3.74 118.70 117.71 1wey s GLU 70 Ca 0.65 0.10 -0.27 0.00 0.02 0.00 0.00 54.97 55.47 1wey s GLU 70 Cb -0.93 -4.92 0.01 0.00 0.10 0.00 0.00 34.13 28.40 1wey s GLU 70 CO 0.47 -3.97 0.98 0.12 0.02 0.00 0.00 175.26 172.88 1wey s PHE 71 N 12.62 3.16 -1.45 1.61 2.19 0.60 -3.70 117.98 133.00 1wey s PHE 71 Ca 0.82 1.07 -0.04 0.00 0.33 0.00 0.00 56.93 59.10 1wey s PHE 71 Cb -0.10 -3.55 0.02 0.00 -1.31 0.00 0.00 43.02 38.09 1wey s PHE 71 CO 0.04 -0.71 0.39 1.28 1.83 0.00 0.00 175.22 178.05 1wey n LEU 72 N 6.66 -2.06 0.00 6.12 7.99 -1.26 -0.37 117.00 134.09 1wey n LEU 72 Ca 0.09 -0.20 0.00 0.00 -0.01 0.00 0.00 56.01 55.90 1wey n LEU 72 Cb 0.47 -2.64 0.00 0.00 -0.11 0.00 0.00 43.42 41.14 1wey n LEU 72 CO 0.56 0.09 0.00 0.61 -1.51 0.00 0.00 177.39 177.14 1wey n GLY 73 N -1.25 2.80 3.63 -0.72 0.00 -1.24 -5.02 105.19 103.39 1wey n GLY 73 Ca -0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.47 2.60 -0.05 1.61 -0.14 0.50 -4.98 119.74 118.81 1wey s LYS 74 Ca 0.00 -0.72 -0.22 0.00 -1.36 0.00 0.00 55.97 53.67 1wey s LYS 74 Cb 0.00 -2.55 -0.04 0.00 -1.68 0.00 0.00 37.83 33.56 1wey s LYS 74 CO 0.00 0.59 0.64 -2.00 -0.76 0.00 0.00 175.35 173.82 1wey s GLU 75 N -1.64 4.39 -0.04 1.68 2.12 -1.26 0.22 118.70 124.18 1wey s GLU 75 Ca 0.19 0.78 0.03 0.00 0.36 0.00 0.00 54.97 56.34 1wey s GLU 75 Cb -0.11 -3.41 -0.03 0.00 0.26 0.00 0.00 34.13 30.84 1wey s GLU 75 CO 0.10 0.18 -0.12 1.41 -0.54 0.00 0.00 175.26 176.29 1wey s MET 76 N 0.42 2.51 0.38 4.30 -2.45 -1.22 -4.40 119.30 118.84 1wey s MET 76 Ca 0.34 -0.70 0.06 0.00 -1.25 0.00 0.00 55.69 54.14 1wey s MET 76 Cb -0.18 -2.41 -0.00 0.00 1.25 0.00 0.00 34.83 33.49 1wey s MET 76 CO 0.17 0.62 0.54 0.15 1.05 0.00 0.00 175.02 177.55 1wey s LYS 77 N -0.90 2.99 -0.15 4.11 1.02 -0.13 -2.11 119.74 124.57 1wey s LYS 77 Ca 0.13 -1.02 -0.09 0.00 0.02 0.00 0.00 55.97 55.00 1wey s LYS 77 Cb -0.11 -2.76 0.05 0.00 -0.52 0.00 0.00 37.83 34.49 1wey s LYS 77 CO 0.02 -0.11 0.37 -0.51 -0.92 0.00 0.00 175.35 174.20 1wey s LEU 78 N -4.30 0.16 0.14 3.17 1.43 -1.25 -0.23 118.68 117.79 1wey s LEU 78 Ca 0.49 0.79 0.08 0.00 -1.03 0.00 0.00 54.13 54.47 1wey s LEU 78 Cb -0.10 1.22 -0.04 0.00 0.03 0.00 0.00 46.19 47.31 1wey s LEU 78 CO 0.33 -0.17 -0.19 -0.31 0.23 0.00 0.00 176.35 176.23 1wey s TYR 79 N 1.08 1.77 -0.46 0.29 1.51 -0.03 -4.93 117.35 116.58 1wey s TYR 79 Ca -0.07 -0.45 -0.25 0.00 -1.01 0.00 0.00 57.07 55.29 1wey s TYR 79 Cb -0.07 -0.92 0.03 0.00 -0.11 0.00 0.00 41.96 40.88 1wey s TYR 79 CO -0.09 0.26 0.87 -0.06 -1.11 0.00 0.00 175.55 175.43 1wey s PHE 80 N -1.69 2.95 1.21 2.71 0.08 -1.26 -0.14 117.98 121.83 1wey s PHE 80 Ca 0.11 0.30 -0.20 0.00 0.12 0.00 0.00 56.93 57.26 1wey s PHE 80 Cb -0.07 -3.85 0.29 0.00 -0.57 0.00 0.00 43.02 38.82 1wey s PHE 80 CO 0.05 -1.06 1.14 0.00 -0.10 0.00 0.00 175.22 175.25 1wey s ALA 81 N 3.57 0.73 0.00 5.36 0.00 -1.19 -4.94 121.76 125.30 1wey s ALA 81 Ca 0.34 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 51.24 1wey s ALA 81 Cb -0.11 -2.84 0.00 0.00 0.00 0.00 0.00 23.12 20.17 1wey s ALA 81 CO 0.25 -3.58 0.00 1.04 0.00 0.00 0.00 175.76 173.47 1wey n GLN 82 N -4.75 0.00 -3.00 0.00 6.02 -1.26 -4.69 117.38 109.71 1wey n GLN 82 Ca 0.15 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.71 1wey n GLN 82 Cb 0.60 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.80 1wey n GLN 82 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 1wey s THR 83 N -0.45 4.69 0.31 5.09 -1.32 -1.26 -4.93 115.64 117.78 1wey s THR 83 Ca 0.00 0.39 0.00 0.00 -1.21 0.00 0.00 61.69 60.87 1wey s THR 83 Cb 0.00 -4.29 0.00 0.00 -1.51 0.00 0.00 72.50 66.70 1wey s THR 83 CO 0.00 -0.67 0.00 0.18 -2.21 0.00 0.00 174.62 171.92 1wey n LEU 84 N 6.60 -0.64 -4.98 9.08 4.32 -1.26 -4.89 117.00 125.23 1wey n LEU 84 Ca 0.01 1.42 -0.22 0.00 -0.02 0.00 0.00 56.01 57.21 1wey n LEU 84 Cb 0.48 -3.96 0.06 0.00 -1.62 0.00 0.00 43.42 38.38 1wey n LEU 84 CO 0.57 -3.32 0.44 -1.00 -1.22 0.00 0.00 177.39 172.86 1wey s HIS 85 N -2.25 2.47 0.00 -1.77 3.76 -1.26 -5.04 115.29 111.20 1wey s HIS 85 Ca 0.00 -0.07 0.00 0.00 -0.15 0.00 0.00 55.06 54.84 1wey s HIS 85 Cb 0.00 -2.85 0.00 0.00 1.11 0.00 0.00 32.58 30.84 1wey s HIS 85 CO 0.00 -1.16 0.00 0.44 -0.85 0.00 0.00 174.74 173.17 1wey n ILE 86 N -2.53 0.00 -2.46 0.60 -0.00 -1.26 -4.92 119.36 108.79 1wey n ILE 86 Ca 0.10 0.00 -0.01 0.00 -0.00 0.00 0.00 62.75 62.84 1wey n ILE 86 Cb 0.60 -0.19 0.04 0.00 -0.00 0.00 0.00 39.64 40.09 1wey n ILE 86 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1wey n GLY 87 N 2.33 0.20 3.46 3.28 0.00 -1.26 -5.12 105.19 108.08 1wey n GLY 87 Ca 0.00 -0.06 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 1wey n GLY 87 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wey s SER 88 N -0.45 5.56 -0.11 1.61 1.04 -1.26 -5.06 113.70 115.03 1wey s SER 88 Ca 0.03 -0.40 -0.30 0.00 0.48 0.00 0.00 55.95 55.76 1wey s SER 88 Cb 0.16 -2.01 0.08 0.00 0.10 0.00 0.00 66.02 64.35 1wey s SER 88 CO -0.05 -0.15 0.74 -0.55 0.98 0.00 0.00 173.24 174.21 1wey s SER 89 N 1.64 -0.63 -0.16 7.02 0.15 -1.26 -5.05 113.70 115.41 1wey s SER 89 Ca 0.05 0.80 -0.15 0.00 0.70 0.00 0.00 55.95 57.36 1wey s SER 89 Cb -0.17 0.67 -0.11 0.00 -1.71 0.00 0.00 66.02 64.70 1wey s SER 89 CO 0.07 -0.50 0.11 -0.74 1.20 0.00 0.00 173.24 173.37 1wey h HIS 90 N 3.31 0.00 -4.21 3.44 2.76 -2.06 -3.48 115.15 114.91 1wey h HIS 90 Ca -0.26 0.00 -0.48 0.00 -2.20 0.00 0.00 60.37 57.43 1wey h HIS 90 Cb 1.15 0.00 0.13 0.00 1.55 0.00 0.00 27.41 30.23 1wey h HIS 90 CO 0.37 0.65 0.30 -0.51 -1.30 0.00 0.00 177.93 177.44 1wey s LEU 91 N -8.15 2.40 0.00 0.26 2.01 -1.26 -4.85 118.68 109.09 1wey s LEU 91 Ca -0.18 1.31 0.00 0.00 0.01 0.00 0.00 54.13 55.27 1wey s LEU 91 Cb 0.02 -3.82 0.00 0.00 0.01 0.00 0.00 46.19 42.41 1wey s LEU 91 CO 0.38 -2.26 0.00 0.00 1.01 0.00 0.00 176.35 175.47 1wey n ALA 92 N -3.62 0.00 -1.54 4.21 0.00 -1.26 -5.15 120.51 113.15 1wey n ALA 92 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.18 1wey n ALA 92 Cb 0.56 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.06 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 0.00 2.86 0.63 0.00 0.04 -1.26 -5.05 135.00 132.22 1wey s PRO 93 Ca 0.00 1.42 -0.11 0.00 0.04 0.00 0.00 61.00 62.35 1wey s PRO 93 Cb 0.00 -1.96 0.16 0.00 0.04 0.00 0.00 34.50 32.74 1wey s PRO 93 CO 0.00 -1.21 0.56 -0.35 0.04 0.00 0.00 177.00 176.04 1wey n PRO 94 N -2.29 -2.11 -4.35 0.56 -0.04 -1.26 -5.09 135.00 120.42 1wey n PRO 94 Ca 0.10 -0.89 -0.18 0.00 -0.04 0.00 0.00 63.50 62.49 1wey n PRO 94 Cb 0.52 -0.84 -0.10 0.00 -0.04 0.00 0.00 33.50 33.04 1wey n PRO 94 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1wey s ASN 95 N -3.01 2.28 0.64 3.54 -0.87 -1.26 -5.14 114.94 111.11 1wey s ASN 95 Ca 0.36 -1.13 -0.16 0.00 -1.57 0.00 0.00 52.86 50.36 1wey s ASN 95 Cb -0.04 -0.08 -0.01 0.00 -0.02 0.00 0.00 41.25 41.10 1wey s ASN 95 CO 0.28 -0.35 1.11 -2.16 -2.57 0.00 0.00 177.10 173.41 1wey s PRO 96 N -3.75 2.90 0.24 -0.60 0.04 -1.26 -5.07 135.00 127.49 1wey s PRO 96 Ca 0.25 1.43 0.03 0.00 0.04 0.00 0.00 61.00 62.75 1wey s PRO 96 Cb 0.03 -1.96 -0.05 0.00 0.04 0.00 0.00 34.50 32.56 1wey s PRO 96 CO 0.08 -1.18 0.03 0.34 0.04 0.00 0.00 177.00 176.31 1wey s ASP 97 N -2.44 1.57 -0.01 6.66 2.15 -1.26 -5.16 116.67 118.18 1wey s ASP 97 Ca 0.68 -1.27 -0.01 0.00 0.43 0.00 0.00 52.55 52.37 1wey s ASP 97 Cb -0.21 0.07 -0.04 0.00 -0.30 0.00 0.00 42.92 42.44 1wey s ASP 97 CO 0.39 -0.60 0.12 -0.75 -0.17 0.00 0.00 175.17 174.17 1wey s LYS 98 N -3.93 3.22 0.10 4.34 2.20 -1.26 -5.11 119.74 119.30 1wey s LYS 98 Ca 0.31 -0.42 -0.10 0.00 -0.36 0.00 0.00 55.97 55.40 1wey s LYS 98 Cb 0.07 -2.96 0.01 0.00 -1.51 0.00 0.00 37.83 33.43 1wey s LYS 98 CO 0.10 0.66 0.24 -1.12 -0.36 0.00 0.00 175.35 174.86 1wey s SER 99 N -1.83 0.04 -0.02 1.43 0.01 -1.26 -5.18 113.70 106.90 1wey s SER 99 Ca 0.25 -0.60 -0.06 0.00 1.31 0.00 0.00 55.95 56.85 1wey s SER 99 Cb -0.12 0.37 0.01 0.00 0.21 0.00 0.00 66.02 66.49 1wey s SER 99 CO 0.16 -0.76 0.13 -0.83 0.41 0.00 0.00 173.24 172.34 1wey s GLY 100 N -2.86 -0.01 0.63 3.44 0.00 -1.26 -5.17 107.32 102.10 1wey s GLY 100 Ca 0.05 0.07 -0.11 0.00 0.00 0.00 0.00 44.72 44.74 1wey s GLY 100 CO -0.11 -0.03 0.56 -1.55 0.00 0.00 0.00 173.10 171.97 1wey n PRO 101 N 2.16 -2.11 0.05 2.90 -0.04 -1.26 -5.03 135.00 131.66 1wey n PRO 101 Ca -0.18 -0.89 0.00 0.00 -0.04 0.00 0.00 63.50 62.39 1wey n PRO 101 Cb 0.57 -0.83 0.00 0.00 -0.04 0.00 0.00 33.50 33.20 1wey n PRO 101 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wey n SER 102 N -3.96 -0.77 -4.12 3.54 2.88 -1.26 -5.13 113.62 104.80 1wey n SER 102 Ca 0.08 0.19 -0.38 0.00 -1.33 0.00 0.00 58.87 57.43 1wey n SER 102 Cb 0.30 1.02 0.02 0.00 -0.75 0.00 0.00 64.21 64.80 1wey n SER 102 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wey n SER 103 N -2.73 -4.64 0.00 -3.46 7.64 -1.26 -5.41 113.62 103.77 1wey n SER 103 Ca 0.00 0.46 0.00 0.00 1.01 0.00 0.00 58.87 60.34 1wey n SER 103 Cb 0.00 -0.81 0.00 0.00 -1.01 0.00 0.00 64.21 62.39 1wey n SER 103 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64