#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e5n h SER 2 N 0.00 0.23 -3.02 1.61 4.64 -2.15 -3.45 113.55 111.41 2e5n h SER 2 Ca 0.00 -0.54 -0.10 0.00 -0.47 0.00 0.00 61.79 60.68 2e5n h SER 2 Cb 0.00 -0.06 -0.27 0.00 -0.31 0.00 0.00 62.40 61.76 2e5n h SER 2 CO 0.00 0.72 -0.30 -0.94 -0.87 0.00 0.00 176.83 175.44 2e5n s SER 3 N -6.02 -0.46 -0.30 4.97 1.04 -1.26 -5.14 113.70 106.53 2e5n s SER 3 Ca -0.15 0.95 -0.05 0.00 0.48 0.00 0.00 55.95 57.18 2e5n s SER 3 Cb 0.03 0.96 0.19 0.00 0.10 0.00 0.00 66.02 67.30 2e5n s SER 3 CO 0.73 -0.21 0.74 -0.83 0.98 0.00 0.00 173.24 174.64 2e5n s GLY 4 N 1.75 -0.80 0.01 7.32 0.00 -1.26 -5.16 107.32 109.18 2e5n s GLY 4 Ca -0.07 2.14 0.06 0.00 0.00 0.00 0.00 44.72 46.84 2e5n s GLY 4 CO -0.13 3.50 -0.17 -0.45 0.00 0.00 0.00 173.10 175.85 2e5n s SER 5 N 2.89 2.02 -0.50 1.64 0.15 -1.26 -4.99 113.70 113.64 2e5n s SER 5 Ca 0.14 -0.39 -0.00 0.00 0.70 0.00 0.00 55.95 56.40 2e5n s SER 5 Cb -0.14 -0.19 0.13 0.00 -1.71 0.00 0.00 66.02 64.12 2e5n s SER 5 CO -0.18 0.15 0.28 -0.44 1.20 0.00 0.00 173.24 174.25 2e5n s SER 6 N -0.77 4.94 -0.39 5.45 0.01 -1.26 -5.07 113.70 116.62 2e5n s SER 6 Ca 0.06 -2.59 -0.22 0.00 1.31 0.00 0.00 55.95 54.51 2e5n s SER 6 Cb -0.07 -1.76 0.01 0.00 0.21 0.00 0.00 66.02 64.41 2e5n s SER 6 CO 0.00 -0.38 0.72 -0.83 0.41 0.00 0.00 173.24 173.17 2e5n s GLY 7 N 0.75 1.68 0.41 3.44 0.00 -1.26 -5.05 107.32 107.29 2e5n s GLY 7 Ca 0.14 -0.84 0.08 0.00 0.00 0.00 0.00 44.72 44.10 2e5n s GLY 7 CO -0.03 1.66 0.52 -0.51 0.00 0.00 0.00 173.10 174.73 2e5n s THR 8 N 2.99 3.03 -0.08 0.90 -4.23 -1.26 -5.03 115.64 111.96 2e5n s THR 8 Ca 0.28 -1.07 0.01 0.00 -1.18 0.00 0.00 61.69 59.72 2e5n s THR 8 Cb -0.13 -3.04 -0.25 0.00 1.34 0.00 0.00 72.50 70.42 2e5n s THR 8 CO 0.18 -0.02 0.51 0.40 -0.54 0.00 0.00 174.62 175.15 2e5n h ILE 9 N 0.75 0.74 0.67 2.99 1.08 -1.96 -3.38 117.51 118.39 2e5n h ILE 9 Ca -0.41 -2.50 -0.03 0.00 -0.39 0.00 0.00 64.86 61.53 2e5n h ILE 9 Cb 1.27 2.49 0.00 0.00 -3.07 0.00 0.00 36.82 37.52 2e5n h ILE 9 CO 0.48 0.74 -0.35 -1.28 -0.69 0.00 0.00 178.15 177.05 2e5n h SER 10 N 0.05 -0.86 -1.49 1.72 0.87 -1.95 -2.33 113.55 109.56 2e5n h SER 10 Ca -0.36 0.04 0.46 0.00 -1.23 0.00 0.00 61.79 60.70 2e5n h SER 10 Cb 2.03 0.24 -0.11 0.00 -0.44 0.00 0.00 62.40 64.12 2e5n h SER 10 CO 0.09 -0.58 1.01 1.56 -0.53 0.00 0.00 176.83 178.38 2e5n h GLN 11 N -0.94 0.05 -7.13 2.24 1.08 -2.01 -3.40 115.11 105.01 2e5n h GLN 11 Ca -0.09 -0.00 -0.51 0.00 -1.45 0.00 0.00 58.65 56.60 2e5n h GLN 11 Cb 0.74 -0.01 0.09 0.00 -0.05 0.00 0.00 27.48 28.24 2e5n h GLN 11 CO 0.12 0.04 0.42 1.03 -0.95 0.00 0.00 178.83 179.49 2e5n s ARG 12 N -5.15 3.11 0.29 1.46 1.81 -0.88 -4.99 118.95 114.61 2e5n s ARG 12 Ca -0.07 1.57 -0.29 0.00 -1.72 0.00 0.00 55.73 55.22 2e5n s ARG 12 Cb 0.28 -1.98 -0.10 0.00 -0.45 0.00 0.00 34.95 32.71 2e5n s ARG 12 CO 0.84 -1.03 1.24 -1.25 -0.68 0.00 0.00 175.30 174.42 2e5n s PRO 13 N -3.56 4.45 0.12 3.54 0.04 -1.26 -4.90 135.00 133.44 2e5n s PRO 13 Ca 0.71 2.06 -0.28 0.00 0.04 0.00 0.00 61.00 63.53 2e5n s PRO 13 Cb -0.24 -3.13 -0.09 0.00 0.04 0.00 0.00 34.50 31.09 2e5n s PRO 13 CO 0.33 -0.07 1.47 -0.92 0.04 0.00 0.00 177.00 177.85 2e5n h TYR 14 N 3.83 -1.52 -0.38 0.56 3.20 -1.93 -2.03 116.97 118.71 2e5n h TYR 14 Ca -0.48 0.08 0.03 0.00 3.14 0.00 0.00 58.73 61.51 2e5n h TYR 14 Cb 1.22 0.73 -0.05 0.00 1.54 0.00 0.00 36.73 40.17 2e5n h TYR 14 CO 0.58 -0.40 -0.22 -2.13 -1.64 0.00 0.00 178.16 174.34 2e5n n ARG 15 N -5.01 -0.17 -0.11 1.82 0.63 -1.26 0.39 116.66 112.96 2e5n n ARG 15 Ca -0.02 0.88 -0.06 0.00 -0.92 0.00 0.00 57.85 57.72 2e5n n ARG 15 Cb 0.28 -1.30 -0.00 0.00 0.45 0.00 0.00 32.46 31.89 2e5n n ARG 15 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 2e5n h ASP 16 N 0.00 -0.86 -0.86 6.15 3.32 -1.79 0.29 116.42 122.67 2e5n h ASP 16 Ca 0.06 0.17 0.24 0.00 0.02 0.00 0.00 57.03 57.52 2e5n h ASP 16 Cb 0.15 0.43 -0.04 0.00 0.22 0.00 0.00 39.33 40.09 2e5n h ASP 16 CO -0.35 -0.28 0.61 0.03 -1.72 0.00 0.00 179.24 177.53 2e5n h ARG 17 N -0.20 0.07 0.03 3.56 3.08 0.61 0.20 114.38 121.73 2e5n h ARG 17 Ca 0.18 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.23 2e5n h ARG 17 Cb 0.49 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.52 2e5n h ARG 17 CO -0.50 0.05 -0.01 0.28 -1.07 0.00 0.00 179.97 178.71 2e5n h VAL 18 N 0.07 0.00 -0.73 2.04 2.07 0.18 -3.29 116.25 116.60 2e5n h VAL 18 Ca 0.42 -0.40 0.16 0.00 0.82 0.00 0.00 66.70 67.70 2e5n h VAL 18 Cb 1.54 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 31.20 2e5n h VAL 18 CO -0.04 0.00 0.12 0.16 0.02 0.00 0.00 177.57 177.83 2e5n h ILE 19 N -0.44 0.46 -0.61 4.57 3.07 -0.78 0.56 117.51 124.33 2e5n h ILE 19 Ca -0.00 -0.07 0.18 0.00 1.55 0.00 0.00 64.86 66.51 2e5n h ILE 19 Cb 0.03 0.24 -0.02 0.00 -0.27 0.00 0.00 36.82 36.79 2e5n h ILE 19 CO 0.01 0.04 0.56 0.45 -1.05 0.00 0.00 178.15 178.16 2e5n h HIS 20 N 0.20 0.00 0.02 0.16 3.86 -0.78 0.35 115.15 118.97 2e5n h HIS 20 Ca 0.41 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 59.42 2e5n h HIS 20 Cb 0.71 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.16 2e5n h HIS 20 CO -0.31 0.00 -1.06 -0.07 0.86 0.00 0.00 177.93 177.35 2e5n h LEU 21 N 0.00 0.08 -1.85 2.43 3.38 0.00 -3.36 115.31 115.99 2e5n h LEU 21 Ca 0.29 -0.68 -0.01 0.00 0.09 0.00 0.00 57.88 57.57 2e5n h LEU 21 Cb 1.41 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 42.13 2e5n h LEU 21 CO -0.00 1.43 0.00 -0.07 0.09 0.00 0.00 178.44 179.88 2e5n h LEU 22 N -0.85 0.08 -0.05 1.67 3.38 -0.13 -3.10 115.31 116.31 2e5n h LEU 22 Ca -0.27 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.71 2e5n h LEU 22 Cb 1.34 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 42.04 2e5n h LEU 22 CO -0.11 0.10 -0.30 0.00 0.09 0.00 0.00 178.44 178.21 2e5n h ALA 23 N 1.92 -0.71 -0.79 1.53 0.00 -0.49 -2.30 119.26 118.41 2e5n h ALA 23 Ca 0.02 -0.04 0.14 0.00 0.00 0.00 0.00 54.91 55.03 2e5n h ALA 23 Cb 0.06 0.80 -0.14 0.00 0.00 0.00 0.00 17.79 18.51 2e5n h ALA 23 CO 0.00 -0.81 -0.31 -0.07 0.00 0.00 0.00 179.25 178.06 2e5n h LEU 24 N -0.34 -1.11 -8.09 0.00 3.38 -1.72 -3.45 115.31 103.99 2e5n h LEU 24 Ca 0.01 0.26 0.01 0.00 0.09 0.00 0.00 57.88 58.25 2e5n h LEU 24 Cb 0.39 0.61 -0.05 0.00 0.09 0.00 0.00 40.66 41.69 2e5n h LEU 24 CO -0.23 -0.29 0.12 -1.59 0.09 0.00 0.00 178.44 176.54 2e5n s LYS 25 N -6.07 1.80 0.23 1.13 -2.85 -0.87 -5.05 119.74 108.06 2e5n s LYS 25 Ca -0.14 -1.16 -0.30 0.00 -1.00 0.00 0.00 55.97 53.37 2e5n s LYS 25 Cb 0.20 0.57 -0.09 0.00 -2.06 0.00 0.00 37.83 36.45 2e5n s LYS 25 CO 0.72 -0.81 1.22 0.00 0.10 0.00 0.00 175.35 176.58 2e5n s ALA 26 N -3.66 3.46 0.09 0.59 0.00 -1.25 -4.15 121.76 116.84 2e5n s ALA 26 Ca 0.16 1.02 0.07 0.00 0.00 0.00 0.00 51.96 53.20 2e5n s ALA 26 Cb -0.04 -3.42 -0.03 0.00 0.00 0.00 0.00 23.12 19.63 2e5n s ALA 26 CO 0.09 -0.40 -0.18 0.71 0.00 0.00 0.00 175.76 175.98 2e5n s TYR 27 N -0.43 1.51 0.40 0.00 1.51 -0.64 -4.88 117.35 114.82 2e5n s TYR 27 Ca 0.51 -0.44 0.01 0.00 -1.01 0.00 0.00 57.07 56.14 2e5n s TYR 27 Cb -0.34 -0.83 -0.02 0.00 -0.11 0.00 0.00 41.96 40.66 2e5n s TYR 27 CO 0.40 0.14 0.61 0.15 -1.11 0.00 0.00 175.55 175.74 2e5n s LYS 28 N -1.89 3.23 0.18 -0.62 1.02 -1.26 0.15 119.74 120.54 2e5n s LYS 28 Ca 0.03 -0.47 -0.22 0.00 0.02 0.00 0.00 55.97 55.33 2e5n s LYS 28 Cb -0.10 -2.62 0.09 0.00 -0.52 0.00 0.00 37.83 34.68 2e5n s LYS 28 CO 0.03 -0.08 1.59 -0.22 -0.92 0.00 0.00 175.35 175.75 2e5n h LYS 29 N 0.57 -0.20 0.04 1.68 1.63 -1.98 0.59 116.57 118.90 2e5n h LYS 29 Ca -0.47 0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.34 2e5n h LYS 29 Cb 1.24 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.92 2e5n h LYS 29 CO 0.58 -0.14 -0.02 -1.00 -3.45 0.00 0.00 179.45 175.43 2e5n h PRO 30 N -0.21 -0.05 0.40 1.90 0.13 -1.95 -3.09 132.00 129.12 2e5n h PRO 30 Ca 0.20 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.32 2e5n h PRO 30 Cb 0.55 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.68 2e5n h PRO 30 CO -0.62 0.42 -0.35 1.49 -0.23 0.00 0.00 178.00 178.71 2e5n h GLU 31 N -0.54 -0.70 -0.99 0.86 4.57 -1.86 -2.43 114.58 113.48 2e5n h GLU 31 Ca -0.01 0.05 0.33 0.00 -1.18 0.00 0.00 59.36 58.55 2e5n h GLU 31 Cb 0.49 0.16 -0.18 0.00 -0.16 0.00 0.00 28.75 29.06 2e5n h GLU 31 CO 0.01 -0.47 0.26 1.25 -1.18 0.00 0.00 179.01 178.88 2e5n h LEU 32 N -0.73 -0.10 0.45 1.64 6.46 0.04 -0.08 115.31 122.99 2e5n h LEU 32 Ca -0.05 0.27 -0.02 0.00 -0.12 0.00 0.00 57.88 57.96 2e5n h LEU 32 Cb 0.62 0.38 -0.01 0.00 -0.73 0.00 0.00 40.66 40.92 2e5n h LEU 32 CO -0.01 -0.37 -0.35 -0.07 -0.62 0.00 0.00 178.44 177.02 2e5n h LEU 33 N 0.03 -0.92 -0.59 2.25 3.38 -1.36 -2.87 115.31 115.22 2e5n h LEU 33 Ca 0.70 0.06 0.10 0.00 0.09 0.00 0.00 57.88 58.84 2e5n h LEU 33 Cb 1.65 0.29 -0.10 0.00 0.09 0.00 0.00 40.66 42.59 2e5n h LEU 33 CO -0.84 -0.49 -0.21 0.00 0.09 0.00 0.00 178.44 176.99 2e5n n ALA 34 N -2.59 -0.01 -0.18 1.53 0.00 -0.05 0.23 120.51 119.43 2e5n n ALA 34 Ca -0.09 0.61 -0.01 0.00 0.00 0.00 0.00 53.44 53.95 2e5n n ALA 34 Cb 0.34 -0.30 0.09 0.00 0.00 0.00 0.00 19.45 19.57 2e5n n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2e5n h ARG 35 N 0.00 0.28 0.16 0.00 2.47 -1.41 0.15 114.38 116.03 2e5n h ARG 35 Ca 0.23 -0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.93 2e5n h ARG 35 Cb 0.38 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.64 2e5n h ARG 35 CO -0.60 0.18 -0.08 -0.07 0.56 0.00 0.00 179.97 179.97 2e5n h LEU 36 N 0.28 -0.19 -1.95 3.04 3.38 0.31 -3.22 115.31 116.97 2e5n h LEU 36 Ca 0.29 -0.33 0.28 0.00 0.09 0.00 0.00 57.88 58.21 2e5n h LEU 36 Cb 0.39 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 2e5n h LEU 36 CO -0.35 0.38 0.74 1.56 0.09 0.00 0.00 178.44 180.86 2e5n h GLN 37 N -0.90 0.00 -0.82 1.13 1.08 0.22 0.26 115.11 116.08 2e5n h GLN 37 Ca -0.02 0.00 0.17 0.00 -1.45 0.00 0.00 58.65 57.34 2e5n h GLN 37 Cb 0.50 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.88 2e5n h GLN 37 CO 0.04 0.00 0.54 0.87 -0.95 0.00 0.00 178.83 179.33 2e5n h LYS 38 N 0.00 0.43 -0.01 1.46 1.57 -0.70 0.67 116.57 119.98 2e5n h LYS 38 Ca 0.46 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.21 2e5n h LYS 38 Cb 1.94 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 34.15 2e5n h LYS 38 CO -0.00 0.28 -0.55 -0.25 -0.57 0.00 0.00 179.45 178.36 2e5n n ASP 39 N -4.50 1.58 0.00 0.86 9.92 0.87 -5.05 116.55 120.24 2e5n n ASP 39 Ca 0.16 -1.29 0.00 0.00 -0.53 0.00 0.00 54.79 53.13 2e5n n ASP 39 Cb 0.58 0.63 0.00 0.00 -0.64 0.00 0.00 41.12 41.69 2e5n n ASP 39 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2e5n n GLY 40 N 1.35 2.65 2.98 0.44 0.00 0.23 -4.99 105.19 107.85 2e5n n GLY 40 Ca 0.07 -1.14 -0.29 0.00 0.00 0.00 0.00 46.02 44.66 2e5n n GLY 40 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2e5n s VAL 41 N 0.00 1.37 0.47 1.61 1.01 -1.26 -4.67 120.40 118.94 2e5n s VAL 41 Ca 0.00 -0.51 -0.22 0.00 0.00 0.00 0.00 61.98 61.24 2e5n s VAL 41 Cb 0.00 -1.31 -0.07 0.00 0.00 0.00 0.00 36.38 35.00 2e5n s VAL 41 CO 0.00 0.42 1.17 0.20 0.00 0.00 0.00 175.10 176.89 2e5n s ASN 42 N 1.51 6.07 0.14 3.32 0.01 -1.26 -4.87 114.94 119.85 2e5n s ASN 42 Ca 0.04 2.31 -0.17 0.00 -0.71 0.00 0.00 52.86 54.32 2e5n s ASN 42 Cb -0.13 -2.60 -0.02 0.00 0.41 0.00 0.00 41.25 38.91 2e5n s ASN 42 CO -0.09 -0.99 1.76 -0.61 -1.51 0.00 0.00 177.10 175.67 2e5n h GLN 43 N 1.91 0.45 -0.77 -0.60 4.15 -2.00 0.18 115.11 118.43 2e5n h GLN 43 Ca -0.49 -0.04 0.15 0.00 0.77 0.00 0.00 58.65 59.03 2e5n h GLN 43 Cb 1.25 -0.10 -0.10 0.00 0.21 0.00 0.00 27.48 28.75 2e5n h GLN 43 CO 0.60 0.35 0.32 1.57 -1.93 0.00 0.00 178.83 179.73 2e5n h LYS 44 N 0.43 0.45 0.00 1.69 2.10 -2.02 0.13 116.57 119.36 2e5n h LYS 44 Ca 0.12 -0.03 -0.05 0.00 -2.00 0.00 0.00 60.65 58.69 2e5n h LYS 44 Cb 0.01 -0.10 -0.01 0.00 -0.90 0.00 0.00 32.23 31.23 2e5n h LYS 44 CO -0.02 0.30 -0.27 -0.44 -2.00 0.00 0.00 179.45 177.02 2e5n h ASP 45 N 0.46 0.00 0.07 7.07 3.32 -1.87 -3.26 116.42 122.22 2e5n h ASP 45 Ca 0.43 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.49 2e5n h ASP 45 Cb 0.65 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.17 2e5n h ASP 45 CO -0.40 0.26 -0.16 0.50 -1.72 0.00 0.00 179.24 177.71 2e5n h LYS 46 N 0.00 -0.29 -0.46 3.56 3.64 0.22 0.04 116.57 123.28 2e5n h LYS 46 Ca -0.00 0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.31 2e5n h LYS 46 Cb 1.20 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 33.06 2e5n h LYS 46 CO 0.03 -0.19 -0.07 -0.97 -2.27 0.00 0.00 179.45 175.98 2e5n h ASN 47 N -0.30 0.79 0.24 4.20 -1.24 -1.58 -2.53 115.58 115.16 2e5n h ASN 47 Ca 0.03 -0.22 -0.03 0.00 0.71 0.00 0.00 56.30 56.78 2e5n h ASN 47 Cb 0.33 -0.21 -0.00 0.00 0.73 0.00 0.00 38.32 39.16 2e5n h ASN 47 CO -0.10 0.90 -0.17 0.28 -1.29 0.00 0.00 177.43 177.05 2e5n h SER 48 N 0.74 0.00 -0.45 1.15 0.02 -1.50 -3.17 113.55 110.35 2e5n h SER 48 Ca 0.13 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.13 2e5n h SER 48 Cb 0.54 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.01 2e5n h SER 48 CO 0.03 0.17 -0.49 0.25 -1.14 0.00 0.00 176.83 175.65 2e5n h LEU 49 N 0.00 -1.66 -1.67 5.07 6.46 -0.54 0.38 115.31 123.36 2e5n h LEU 49 Ca -0.00 0.23 0.34 0.00 -0.12 0.00 0.00 57.88 58.33 2e5n h LEU 49 Cb 0.33 0.69 -0.08 0.00 -0.73 0.00 0.00 40.66 40.87 2e5n h LEU 49 CO 0.02 -0.32 0.82 1.23 -0.62 0.00 0.00 178.44 179.57 2e5n h GLY 50 N -0.27 0.66 1.07 3.75 0.00 -1.71 0.32 103.07 106.89 2e5n h GLY 50 Ca 0.08 -0.09 -0.21 0.00 0.00 0.00 0.00 47.33 47.10 2e5n h GLY 50 CO -0.57 -0.11 -0.80 0.00 0.00 0.00 0.00 176.54 175.05 2e5n h ALA 51 N 1.49 0.18 -0.45 3.60 0.00 -0.51 -3.25 119.26 120.32 2e5n h ALA 51 Ca 0.64 -0.62 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 2e5n h ALA 51 Cb 2.11 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.91 2e5n h ALA 51 CO -0.18 0.57 -0.12 0.82 0.00 0.00 0.00 179.25 180.35 2e5n h ILE 52 N 0.30 1.27 -0.90 0.00 2.04 0.16 -2.00 117.51 118.37 2e5n h ILE 52 Ca -0.08 -1.24 0.20 0.00 1.00 0.00 0.00 64.86 64.74 2e5n h ILE 52 Cb 1.46 1.14 -0.07 0.00 -0.74 0.00 0.00 36.82 38.60 2e5n h ILE 52 CO 0.16 0.42 0.60 -0.07 0.00 0.00 0.00 178.15 179.26 2e5n h LEU 53 N 0.71 0.42 0.00 1.44 3.38 -0.88 0.76 115.31 121.15 2e5n h LEU 53 Ca 0.11 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2e5n h LEU 53 Cb 0.66 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2e5n h LEU 53 CO 0.05 0.17 -0.72 -0.61 0.09 0.00 0.00 178.44 177.41 2e5n h GLN 54 N 0.42 0.00 0.00 1.13 4.15 -1.55 0.50 115.11 119.76 2e5n h GLN 54 Ca 0.47 0.00 -0.13 0.00 0.77 0.00 0.00 58.65 59.77 2e5n h GLN 54 Cb 1.16 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.83 2e5n h GLN 54 CO -0.18 0.00 -1.37 1.04 -1.93 0.00 0.00 178.83 176.39 2e5n n GLN 55 N -2.15 0.62 -0.00 1.69 1.13 0.14 -4.47 117.38 114.35 2e5n n GLN 55 Ca 0.03 0.17 -0.00 0.00 -1.94 0.00 0.00 57.00 55.26 2e5n n GLN 55 Cb 0.45 -1.79 -0.00 0.00 0.11 0.00 0.00 30.24 29.01 2e5n n GLN 55 CO 0.00 0.00 0.00 1.33 -1.44 0.00 0.00 177.06 176.95 2e5n n VAL 56 N -2.81 0.00 -4.69 5.09 0.24 0.22 -5.04 118.33 111.35 2e5n n VAL 56 Ca -0.08 -0.00 -0.31 0.00 -2.04 0.00 0.00 64.34 61.91 2e5n n VAL 56 Cb 0.77 -0.84 -0.08 0.00 -1.47 0.00 0.00 33.84 32.21 2e5n n VAL 56 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2e5n s ALA 57 N -2.00 3.72 -0.06 2.33 0.00 0.17 0.15 121.76 126.07 2e5n s ALA 57 Ca -0.00 -0.81 0.02 0.00 0.00 0.00 0.00 51.96 51.17 2e5n s ALA 57 Cb 0.00 0.21 0.01 0.00 0.00 0.00 0.00 23.12 23.34 2e5n s ALA 57 CO 0.00 -0.10 -0.12 -0.80 0.00 0.00 0.00 175.76 174.74 2e5n s ASN 58 N -3.79 1.72 0.10 0.00 0.01 0.81 -3.67 114.94 110.11 2e5n s ASN 58 Ca 0.13 -0.29 -0.30 0.00 -0.71 0.00 0.00 52.86 51.70 2e5n s ASN 58 Cb 0.03 -0.80 -0.06 0.00 0.41 0.00 0.00 41.25 40.84 2e5n s ASN 58 CO 0.07 0.02 1.00 -0.22 -1.51 0.00 0.00 177.10 176.46 2e5n s LEU 59 N 0.70 4.47 -0.38 0.60 0.20 -1.26 -0.51 118.68 122.49 2e5n s LEU 59 Ca -0.14 1.83 -0.03 0.00 0.69 0.00 0.00 54.13 56.48 2e5n s LEU 59 Cb -0.16 -3.59 0.10 0.00 -0.43 0.00 0.00 46.19 42.11 2e5n s LEU 59 CO 0.03 -0.14 0.16 0.21 -0.29 0.00 0.00 176.35 176.32 2e5n s ASN 60 N 0.19 5.18 0.55 3.68 3.84 -0.70 -4.95 114.94 122.72 2e5n s ASN 60 Ca 0.49 -1.86 0.40 0.00 0.21 0.00 0.00 52.86 52.09 2e5n s ASN 60 Cb -0.24 -1.80 1.58 0.00 -0.55 0.00 0.00 41.25 40.23 2e5n s ASN 60 CO 0.30 -0.48 1.74 0.28 -2.79 0.00 0.00 177.10 176.15 2e5n h SER 61 N 8.03 0.00 -0.10 -4.21 0.02 -1.94 0.95 113.55 116.31 2e5n h SER 61 Ca -0.15 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.82 2e5n h SER 61 Cb 1.05 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.57 2e5n h SER 61 CO 0.66 0.00 -0.19 0.50 -1.14 0.00 0.00 176.83 176.66 2e5n h LYS 62 N 0.00 -0.16 -0.06 3.45 3.11 -1.95 -3.20 116.57 117.76 2e5n h LYS 62 Ca 0.64 0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 58.48 2e5n h LYS 62 Cb 2.63 0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 33.89 2e5n h LYS 62 CO -0.01 -0.10 -0.09 -0.40 -2.81 0.00 0.00 179.45 176.04 2e5n n ASP 63 N -3.59 2.46 -2.74 4.20 5.68 -0.74 -4.96 116.55 116.87 2e5n n ASP 63 Ca -0.02 -3.26 -0.10 0.00 -0.50 0.00 0.00 54.79 50.91 2e5n n ASP 63 Cb 0.12 -0.47 -0.01 0.00 -1.14 0.00 0.00 41.12 39.62 2e5n n ASP 63 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2e5n n LEU 64 N -1.24 -0.67 -4.74 -2.12 4.77 0.32 -4.90 117.00 108.42 2e5n n LEU 64 Ca 0.18 0.16 -0.36 0.00 -0.03 0.00 0.00 56.01 55.96 2e5n n LEU 64 Cb 0.71 -1.59 -0.08 0.00 -2.33 0.00 0.00 43.42 40.12 2e5n n LEU 64 CO 0.03 -0.01 -0.23 -0.94 -1.33 0.00 0.00 177.39 174.91 2e5n s SER 65 N -2.19 5.85 -0.25 -1.43 1.04 -1.18 -4.48 113.70 111.05 2e5n s SER 65 Ca 0.11 0.25 -0.21 0.00 0.48 0.00 0.00 55.95 56.59 2e5n s SER 65 Cb -0.06 -1.88 -0.02 0.00 0.10 0.00 0.00 66.02 64.16 2e5n s SER 65 CO 0.14 0.32 0.64 -0.31 0.98 0.00 0.00 173.24 175.00 2e5n s TYR 66 N -0.48 3.29 -0.23 5.02 1.51 0.12 -1.73 117.35 124.86 2e5n s TYR 66 Ca 0.10 0.85 -0.09 0.00 -1.01 0.00 0.00 57.07 56.92 2e5n s TYR 66 Cb -0.12 -2.85 -0.04 0.00 -0.11 0.00 0.00 41.96 38.84 2e5n s TYR 66 CO 0.02 -0.32 0.12 0.95 -1.11 0.00 0.00 175.55 175.21 2e5n s THR 67 N 2.47 4.98 0.10 -0.71 -4.23 0.33 -1.62 115.64 116.97 2e5n s THR 67 Ca 0.27 0.05 -0.34 0.00 -1.18 0.00 0.00 61.69 60.48 2e5n s THR 67 Cb -0.15 -3.31 -0.14 0.00 1.34 0.00 0.00 72.50 70.24 2e5n s THR 67 CO 0.09 0.36 1.63 -0.11 -0.54 0.00 0.00 174.62 176.05 2e5n n LEU 68 N 4.30 3.08 0.00 4.79 0.00 -1.26 -0.14 117.00 127.78 2e5n n LEU 68 Ca -0.16 1.06 -0.09 0.00 0.00 0.00 0.00 56.01 56.83 2e5n n LEU 68 Cb 0.52 -1.40 0.09 0.00 0.00 0.00 0.00 43.42 42.63 2e5n n LEU 68 CO 0.34 -0.28 0.10 0.29 0.00 0.00 0.00 177.39 177.84 2e5n n LYS 69 N 4.05 -1.17 -0.08 1.96 5.02 0.12 -4.85 118.16 123.22 2e5n n LYS 69 Ca 0.18 -0.42 -0.07 0.00 -2.02 0.00 0.00 58.31 55.98 2e5n n LYS 69 Cb 0.28 -0.76 -0.02 0.00 -0.02 0.00 0.00 35.03 34.51 2e5n n LYS 69 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2e5n n ASP 70 N -1.94 1.81 -0.27 4.39 5.75 -1.26 -4.38 116.55 120.65 2e5n n ASP 70 Ca 0.04 0.45 0.07 0.00 -0.01 0.00 0.00 54.79 55.33 2e5n n ASP 70 Cb 0.17 -0.78 0.21 0.00 -1.03 0.00 0.00 41.12 39.69 2e5n n ASP 70 CO 0.00 0.00 0.00 0.10 -0.11 0.00 0.00 177.20 177.19 2e5n h TYR 71 N -0.96 0.50 -1.10 2.11 -0.00 -1.95 0.73 116.97 116.29 2e5n h TYR 71 Ca 0.00 0.04 0.32 0.00 -0.00 0.00 0.00 58.73 59.09 2e5n h TYR 71 Cb 0.76 -0.10 -0.12 0.00 -0.00 0.00 0.00 36.73 37.27 2e5n h TYR 71 CO -0.33 0.02 0.68 0.28 -0.00 0.00 0.00 178.16 178.81 2e5n h VAL 72 N 0.41 0.38 -1.19 -0.90 2.07 -1.88 0.36 116.25 115.49 2e5n h VAL 72 Ca 0.44 -0.11 0.34 0.00 0.82 0.00 0.00 66.70 68.19 2e5n h VAL 72 Cb 0.72 0.03 -0.09 0.00 -1.52 0.00 0.00 31.29 30.43 2e5n h VAL 72 CO -0.45 0.06 0.80 -0.26 0.02 0.00 0.00 177.57 177.75 2e5n h PHE 73 N 0.32 0.39 -0.05 1.57 0.04 -1.05 1.05 116.94 119.22 2e5n h PHE 73 Ca 0.69 0.01 -0.13 0.00 2.80 0.00 0.00 57.97 61.34 2e5n h PHE 73 Cb 1.77 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 39.80 2e5n h PHE 73 CO -0.01 -0.02 -0.54 1.57 -0.60 0.00 0.00 178.31 178.72 2e5n h LYS 74 N 0.19 0.15 -0.31 1.51 2.10 -0.43 -3.05 116.57 116.72 2e5n h LYS 74 Ca 0.65 -0.09 -0.13 0.00 -2.00 0.00 0.00 60.65 59.08 2e5n h LYS 74 Cb 2.08 0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 33.41 2e5n h LYS 74 CO -0.21 0.66 -0.34 0.93 -2.00 0.00 0.00 179.45 178.48 2e5n h GLU 75 N 0.12 0.68 -6.06 0.07 5.08 0.11 -3.45 114.58 111.12 2e5n h GLU 75 Ca -0.00 -0.32 -0.59 0.00 -1.00 0.00 0.00 59.36 57.45 2e5n h GLU 75 Cb 1.00 -0.01 0.19 0.00 0.50 0.00 0.00 28.75 30.43 2e5n h GLU 75 CO 0.08 0.92 -1.18 1.28 -1.00 0.00 0.00 179.01 179.11 2e5n n LEU 76 N -4.06 -3.56 -4.20 1.33 4.77 -0.90 -4.93 117.00 105.45 2e5n n LEU 76 Ca -0.01 0.59 -0.37 0.00 -0.03 0.00 0.00 56.01 56.19 2e5n n LEU 76 Cb 0.49 -0.87 -0.12 0.00 -2.33 0.00 0.00 43.42 40.59 2e5n n LEU 76 CO 0.45 -4.80 -0.22 -1.10 -1.33 0.00 0.00 177.39 170.39 2e5n s GLN 77 N -1.28 2.37 0.61 3.23 -0.21 -1.26 -4.95 119.66 118.16 2e5n s GLN 77 Ca 0.56 -1.48 0.25 0.00 0.02 0.00 0.00 55.36 54.71 2e5n s GLN 77 Cb -0.44 -3.50 1.11 0.00 1.00 0.00 0.00 33.01 31.18 2e5n s GLN 77 CO 0.68 -0.85 1.55 0.00 -2.12 0.00 0.00 175.29 174.54 2e5n h ARG 78 N 8.15 0.00 -0.92 2.91 3.08 -1.96 1.47 114.38 127.11 2e5n h ARG 78 Ca -0.19 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.58 2e5n h ARG 78 Cb 1.07 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 30.95 2e5n h ARG 78 CO 0.65 0.00 0.35 -0.25 -1.07 0.00 0.00 179.97 179.65 2e5n n ASP 79 N -3.31 3.80 -4.62 7.04 8.00 -1.26 -4.93 116.55 121.27 2e5n n ASP 79 Ca 0.13 -3.03 -0.43 0.00 0.71 0.00 0.00 54.79 52.17 2e5n n ASP 79 Cb 1.06 -0.72 -0.03 0.00 -0.02 0.00 0.00 41.12 41.42 2e5n n ASP 79 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 2e5n s TRP 80 N -2.37 1.93 -2.00 1.24 -0.11 0.50 -4.85 118.94 113.29 2e5n s TRP 80 Ca 0.41 0.52 0.13 0.00 1.22 0.00 0.00 56.10 58.37 2e5n s TRP 80 Cb 0.34 -4.04 0.76 0.00 -1.50 0.00 0.00 33.47 29.02 2e5n s TRP 80 CO 0.09 -3.13 1.18 -0.35 -4.62 0.00 0.00 176.95 170.12 2e5n n PRO 81 N 7.94 0.49 -0.82 5.86 -0.04 -1.26 -2.83 135.00 144.34 2e5n n PRO 81 Ca 0.21 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.67 2e5n n PRO 81 Cb 0.45 -1.41 0.30 0.00 -0.04 0.00 0.00 33.50 32.81 2e5n n PRO 81 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2e5n n GLY 82 N -0.02 3.04 3.09 0.55 0.00 -1.26 -4.85 105.19 105.74 2e5n n GLY 82 Ca 0.10 -0.81 -0.32 0.00 0.00 0.00 0.00 46.02 44.99 2e5n n GLY 82 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2e5n s TYR 83 N -2.55 2.55 0.87 1.61 2.02 -1.13 -4.99 117.35 115.72 2e5n s TYR 83 Ca 0.46 -1.47 -0.11 0.00 -0.37 0.00 0.00 57.07 55.59 2e5n s TYR 83 Cb 0.36 -1.79 0.11 0.00 -0.40 0.00 0.00 41.96 40.24 2e5n s TYR 83 CO 0.13 -0.74 1.11 -1.12 -1.57 0.00 0.00 175.55 173.35 2e5n s SER 84 N 1.32 3.57 0.57 2.29 0.01 -1.26 -4.40 113.70 115.79 2e5n s SER 84 Ca 0.04 1.88 0.46 0.00 1.31 0.00 0.00 55.95 59.64 2e5n s SER 84 Cb -0.13 -2.47 1.58 0.00 0.21 0.00 0.00 66.02 65.21 2e5n s SER 84 CO -0.11 -2.64 1.51 1.21 0.41 0.00 0.00 173.24 173.62 2e5n n GLU 85 N -3.91 0.00 -0.10 12.44 4.07 -1.26 -0.40 120.64 131.48 2e5n n GLU 85 Ca 0.09 1.07 -0.18 0.00 -0.06 0.00 0.00 57.16 58.08 2e5n n GLU 85 Cb 0.53 -2.51 -0.09 0.00 -0.06 0.00 0.00 31.44 29.31 2e5n n GLU 85 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 2e5n n ILE 86 N -3.79 1.51 -0.36 6.31 -0.00 -1.26 -4.22 119.36 117.55 2e5n n ILE 86 Ca 0.41 -0.01 -0.06 0.00 -0.00 0.00 0.00 62.75 63.08 2e5n n ILE 86 Cb 1.93 -2.11 -0.03 0.00 -0.00 0.00 0.00 39.64 39.43 2e5n n ILE 86 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.55 176.99 2e5n h ASP 87 N -1.00 -1.72 -0.67 4.38 3.32 -1.03 0.29 116.42 119.99 2e5n h ASP 87 Ca -0.30 0.31 0.09 0.00 0.02 0.00 0.00 57.03 57.14 2e5n h ASP 87 Cb 1.15 0.82 -0.11 0.00 0.22 0.00 0.00 39.33 41.41 2e5n h ASP 87 CO -0.18 -0.28 -0.48 0.03 -1.72 0.00 0.00 179.24 176.61 2e5n h ARG 88 N -0.05 -0.18 0.00 3.56 3.08 -1.52 1.03 114.38 120.29 2e5n h ARG 88 Ca 0.25 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.30 2e5n h ARG 88 Cb 0.52 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.61 2e5n h ARG 88 CO -0.91 -0.12 -0.06 0.07 -1.07 0.00 0.00 179.97 177.88 2e5n h ARG 89 N -0.19 0.00 0.00 0.04 0.11 -1.16 -1.12 114.38 112.06 2e5n h ARG 89 Ca 0.18 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.26 2e5n h ARG 89 Cb 0.55 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.63 2e5n h ARG 89 CO -0.75 0.06 -0.29 0.77 0.10 0.00 0.00 179.97 179.85 2e5n h SER 90 N 0.00 0.00 0.02 0.08 0.02 0.43 -3.36 113.55 110.74 2e5n h SER 90 Ca -0.00 -0.06 -0.30 0.00 -0.84 0.00 0.00 61.79 60.59 2e5n h SER 90 Cb 0.31 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.81 2e5n h SER 90 CO 0.01 0.03 -1.63 -0.11 -1.14 0.00 0.00 176.83 173.98 2e5n n LEU 91 N -2.45 2.03 0.02 5.07 0.00 0.16 -4.12 117.00 117.71 2e5n n LEU 91 Ca 0.04 0.36 0.19 0.00 0.00 0.00 0.00 56.01 56.59 2e5n n LEU 91 Cb 0.47 -0.96 0.41 0.00 0.00 0.00 0.00 43.42 43.34 2e5n n LEU 91 CO 0.34 0.44 1.17 1.05 0.00 0.00 0.00 177.39 180.39 2e5n h GLU 92 N -0.81 0.00 0.20 1.96 4.11 -1.47 0.14 114.58 118.72 2e5n h GLU 92 Ca -0.43 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 58.99 2e5n h GLU 92 Cb 1.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.74 2e5n h GLU 92 CO -0.20 0.00 -0.10 1.03 0.07 0.00 0.00 179.01 179.81 2e5n h SER 93 N 0.00 -0.23 -0.76 3.06 0.87 -1.72 -2.99 113.55 111.78 2e5n h SER 93 Ca 0.28 -0.10 0.14 0.00 -1.23 0.00 0.00 61.79 60.89 2e5n h SER 93 Cb 2.21 0.06 -0.14 0.00 -0.44 0.00 0.00 62.40 64.09 2e5n h SER 93 CO -0.00 0.27 -0.25 0.58 -0.53 0.00 0.00 176.83 176.90 2e5n h VAL 94 N -1.04 0.18 0.00 2.23 2.07 -0.89 0.97 116.25 119.77 2e5n h VAL 94 Ca -0.03 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 2e5n h VAL 94 Cb 0.32 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 30.26 2e5n h VAL 94 CO 0.05 0.00 -0.01 -0.07 0.02 0.00 0.00 177.57 177.56 2e5n h LEU 95 N -0.04 0.00 -0.26 2.57 3.38 -1.63 0.20 115.31 119.53 2e5n h LEU 95 Ca 0.34 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 58.10 2e5n h LEU 95 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2e5n h LEU 95 CO -0.80 0.01 -0.76 -1.28 0.09 0.00 0.00 178.44 175.70 2e5n h SER 96 N 0.00 0.76 0.05 -0.43 0.87 0.10 -0.22 113.55 114.68 2e5n h SER 96 Ca -0.00 -0.50 -0.17 0.00 -1.23 0.00 0.00 61.79 59.89 2e5n h SER 96 Cb 0.02 -0.22 0.02 0.00 -0.44 0.00 0.00 62.40 61.77 2e5n h SER 96 CO 0.00 1.27 -0.68 0.03 -0.53 0.00 0.00 176.83 176.92 2e5n h ARG 97 N 0.43 0.38 0.20 2.24 3.08 -0.12 -3.39 114.38 117.20 2e5n h ARG 97 Ca -0.04 -0.47 -0.01 0.00 0.07 0.00 0.00 59.98 59.52 2e5n h ARG 97 Cb 1.37 0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.57 2e5n h ARG 97 CO 0.15 1.15 -0.10 0.87 -1.07 0.00 0.00 179.97 180.97 2e5n h LYS 98 N -0.18 -0.26 -5.88 0.04 1.79 -0.72 -3.40 116.57 107.96 2e5n h LYS 98 Ca -0.10 0.02 -0.41 0.00 -2.18 0.00 0.00 60.65 57.98 2e5n h LYS 98 Cb 1.43 0.06 -0.05 0.00 -1.58 0.00 0.00 32.23 32.09 2e5n h LYS 98 CO 0.13 -0.17 1.04 -0.51 -1.08 0.00 0.00 179.45 178.85 2e5n s LEU 99 N -6.28 3.24 0.00 2.94 1.43 -0.10 -5.07 118.68 114.85 2e5n s LEU 99 Ca -0.04 -0.40 0.00 0.00 -1.03 0.00 0.00 54.13 52.66 2e5n s LEU 99 Cb 0.00 -2.55 0.00 0.00 0.03 0.00 0.00 46.19 43.67 2e5n s LEU 99 CO 0.12 -2.44 0.37 -3.20 0.23 0.00 0.00 176.35 171.42