#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 -0.78 -6.46 1.61 0.87 -2.10 -3.46 113.55 103.23 2e5n h SER 2 Ca 0.00 0.04 -0.50 0.00 -1.23 0.00 0.00 61.79 60.11 2e5n h SER 2 Cb 0.00 0.23 -0.08 0.00 -0.44 0.00 0.00 62.40 62.11 2e5n h SER 2 CO 0.00 -0.50 -0.82 -0.24 -0.53 0.00 0.00 176.83 174.74 2e5n n SER 3 N -5.45 -2.87 -3.47 6.23 2.88 -1.26 -4.94 113.62 104.74 2e5n n SER 3 Ca -0.12 -0.91 0.01 0.00 -1.33 0.00 0.00 58.87 56.52 2e5n n SER 3 Cb 0.35 -3.37 -0.05 0.00 -0.75 0.00 0.00 64.21 60.39 2e5n n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2e5n s GLY 4 N -3.68 -0.19 -1.00 0.46 0.00 -1.26 -5.09 107.32 96.56 2e5n s GLY 4 Ca 0.46 3.02 -0.15 0.00 0.00 0.00 0.00 44.72 48.05 2e5n s GLY 4 CO 0.87 3.09 1.11 -0.45 0.00 0.00 0.00 173.10 177.72 2e5n s SER 5 N 2.24 6.89 -0.15 1.64 0.15 -1.26 -5.01 113.70 118.21 2e5n s SER 5 Ca -0.04 -2.71 -0.29 0.00 0.70 0.00 0.00 55.95 53.60 2e5n s SER 5 Cb -0.06 -2.32 -0.02 0.00 -1.71 0.00 0.00 66.02 61.92 2e5n s SER 5 CO -0.17 -0.73 1.22 -0.44 1.20 0.00 0.00 173.24 174.32 2e5n s SER 6 N 2.67 6.99 -0.93 5.45 0.01 -1.26 -4.97 113.70 121.66 2e5n s SER 6 Ca 0.31 1.68 -0.02 0.00 1.31 0.00 0.00 55.95 59.24 2e5n s SER 6 Cb -0.06 -2.54 0.27 0.00 0.21 0.00 0.00 66.02 63.89 2e5n s SER 6 CO -0.07 -0.70 1.06 0.61 0.41 0.00 0.00 173.24 174.55 2e5n n GLY 7 N 3.51 4.66 3.93 3.44 0.00 -1.26 -5.04 105.19 114.43 2e5n n GLY 7 Ca 0.13 -2.66 -0.20 0.00 0.00 0.00 0.00 46.02 43.29 2e5n n GLY 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2e5n s THR 8 N -2.12 3.33 -0.06 2.61 -4.23 -1.26 -4.95 115.64 108.95 2e5n s THR 8 Ca 0.32 -1.19 -0.23 0.00 -1.18 0.00 0.00 61.69 59.40 2e5n s THR 8 Cb 0.02 -3.15 -0.28 0.00 1.34 0.00 0.00 72.50 70.42 2e5n s THR 8 CO -0.01 -0.09 0.91 0.40 -0.54 0.00 0.00 174.62 175.29 2e5n h ILE 9 N 0.98 1.57 -0.25 2.99 1.08 -1.95 -3.33 117.51 118.60 2e5n h ILE 9 Ca -0.43 -2.37 0.05 0.00 -0.39 0.00 0.00 64.86 61.72 2e5n h ILE 9 Cb 1.26 3.12 -0.08 0.00 -3.07 0.00 0.00 36.82 38.06 2e5n h ILE 9 CO 0.54 0.66 -0.43 -1.28 -0.69 0.00 0.00 178.15 176.95 2e5n h SER 10 N -0.49 -1.38 -1.15 1.72 0.87 -1.94 0.97 113.55 112.16 2e5n h SER 10 Ca -0.09 0.19 0.34 0.00 -1.23 0.00 0.00 61.79 61.00 2e5n h SER 10 Cb 1.39 0.58 -0.11 0.00 -0.44 0.00 0.00 62.40 63.82 2e5n h SER 10 CO 0.10 -0.40 0.73 1.56 -0.53 0.00 0.00 176.83 178.29 2e5n h GLN 11 N -0.42 0.25 -7.14 2.24 4.20 -1.98 -3.40 115.11 108.85 2e5n h GLN 11 Ca 0.10 -0.02 -0.51 0.00 0.06 0.00 0.00 58.65 58.28 2e5n h GLN 11 Cb 0.61 -0.06 0.10 0.00 0.30 0.00 0.00 27.48 28.43 2e5n h GLN 11 CO -0.47 0.17 0.41 1.03 -0.67 0.00 0.00 178.83 179.30 2e5n s ARG 12 N -5.43 2.95 0.53 1.46 1.81 0.33 -5.00 118.95 115.60 2e5n s ARG 12 Ca -0.08 1.58 -0.20 0.00 -1.72 0.00 0.00 55.73 55.31 2e5n s ARG 12 Cb 0.28 -1.95 -0.06 0.00 -0.45 0.00 0.00 34.95 32.76 2e5n s ARG 12 CO 0.81 -1.17 1.14 -1.25 -0.68 0.00 0.00 175.30 174.15 2e5n s PRO 13 N -3.66 3.43 0.05 3.54 0.04 -1.26 -4.93 135.00 132.21 2e5n s PRO 13 Ca 0.72 1.64 -0.19 0.00 0.04 0.00 0.00 61.00 63.21 2e5n s PRO 13 Cb -0.24 -2.08 -0.08 0.00 0.04 0.00 0.00 34.50 32.13 2e5n s PRO 13 CO 0.35 -0.79 1.30 -0.92 0.04 0.00 0.00 177.00 176.98 2e5n h TYR 14 N 1.36 -0.81 -0.69 0.56 3.20 -1.93 -2.75 116.97 115.91 2e5n h TYR 14 Ca -0.50 0.02 0.08 0.00 3.14 0.00 0.00 58.73 61.47 2e5n h TYR 14 Cb 1.26 0.33 -0.09 0.00 1.54 0.00 0.00 36.73 39.77 2e5n h TYR 14 CO 0.52 -0.34 -0.35 -2.13 -1.64 0.00 0.00 178.16 174.21 2e5n n ARG 15 N -4.06 -0.25 -0.08 1.82 0.63 -1.26 -0.26 116.66 113.20 2e5n n ARG 15 Ca -0.05 1.05 -0.10 0.00 -0.92 0.00 0.00 57.85 57.83 2e5n n ARG 15 Cb 0.23 -1.55 -0.07 0.00 0.45 0.00 0.00 32.46 31.52 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 -1.29 -1.04 6.15 5.19 -1.89 0.33 116.42 123.87 2e5n h ASP 16 Ca 0.16 0.17 0.27 0.00 -0.62 0.00 0.00 57.03 57.01 2e5n h ASP 16 Cb 0.34 0.52 -0.08 0.00 0.18 0.00 0.00 39.33 40.29 2e5n h ASP 16 CO -0.67 -0.29 0.69 0.03 -3.12 0.00 0.00 179.24 175.88 2e5n h ARG 17 N -0.30 0.32 0.35 3.56 3.08 -0.37 0.26 114.38 121.27 2e5n h ARG 17 Ca 0.05 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 2e5n h ARG 17 Cb 0.43 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.41 2e5n h ARG 17 CO -0.40 0.21 -0.17 0.28 -1.07 0.00 0.00 179.97 178.83 2e5n h VAL 18 N 0.33 0.00 -0.94 2.04 2.07 0.92 -2.69 116.25 117.98 2e5n h VAL 18 Ca 0.58 -0.34 0.17 0.00 0.82 0.00 0.00 66.70 67.93 2e5n h VAL 18 Cb 1.59 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 31.27 2e5n h VAL 18 CO -0.24 0.00 0.60 0.16 0.02 0.00 0.00 177.57 178.11 2e5n h ILE 19 N -0.81 0.76 -0.87 4.57 3.07 0.08 0.49 117.51 124.79 2e5n h ILE 19 Ca -0.05 -0.22 -0.00 0.00 1.55 0.00 0.00 64.86 66.13 2e5n h ILE 19 Cb 0.36 0.05 -0.04 0.00 -0.27 0.00 0.00 36.82 36.92 2e5n h ILE 19 CO 0.08 0.12 0.53 0.45 -1.05 0.00 0.00 178.15 178.28 2e5n h HIS 20 N 0.65 1.14 -0.15 0.16 3.86 -0.56 0.27 115.15 120.53 2e5n h HIS 20 Ca 0.50 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.59 2e5n h HIS 20 Cb 0.89 -0.38 0.00 0.00 1.06 0.00 0.00 27.41 28.98 2e5n h HIS 20 CO -0.00 0.76 -0.38 -0.07 0.86 0.00 0.00 177.93 179.09 2e5n h LEU 21 N 1.20 0.60 -1.37 2.43 3.38 -0.62 -3.14 115.31 117.78 2e5n h LEU 21 Ca 0.31 -0.58 -0.06 0.00 0.09 0.00 0.00 57.88 57.64 2e5n h LEU 21 Cb -0.06 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 2e5n h LEU 21 CO -0.06 1.07 -0.31 -0.07 0.09 0.00 0.00 178.44 179.16 2e5n h LEU 22 N 0.15 0.00 0.00 1.67 3.38 -0.90 -3.29 115.31 116.32 2e5n h LEU 22 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2e5n h LEU 22 Cb 1.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.75 2e5n h LEU 22 CO 0.08 0.31 0.00 0.00 0.09 0.00 0.00 178.44 178.92 2e5n n ALA 23 N -2.42 -0.27 -0.34 1.53 0.00 0.95 -2.36 120.51 117.60 2e5n n ALA 23 Ca -0.02 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.48 2e5n n ALA 23 Cb 0.37 0.22 0.13 0.00 0.00 0.00 0.00 19.45 20.17 2e5n n ALA 23 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2e5n h LEU 24 N 0.00 -0.87 -8.04 0.00 3.38 -1.65 -3.44 115.31 104.69 2e5n h LEU 24 Ca 0.00 0.28 0.04 0.00 0.09 0.00 0.00 57.88 58.29 2e5n h LEU 24 Cb 0.00 0.59 -0.05 0.00 0.09 0.00 0.00 40.66 41.29 2e5n h LEU 24 CO 0.00 -0.31 0.19 -1.59 0.09 0.00 0.00 178.44 176.81 2e5n s LYS 25 N -6.25 1.82 0.24 1.13 -2.85 -0.99 -5.07 119.74 107.77 2e5n s LYS 25 Ca -0.15 -1.10 -0.30 0.00 -1.00 0.00 0.00 55.97 53.43 2e5n s LYS 25 Cb 0.26 0.59 -0.09 0.00 -2.06 0.00 0.00 37.83 36.53 2e5n s LYS 25 CO 0.77 -0.83 1.10 0.00 0.10 0.00 0.00 175.35 176.50 2e5n s ALA 26 N -3.69 3.40 0.11 0.59 0.00 -1.25 -3.99 121.76 116.93 2e5n s ALA 26 Ca 0.13 0.87 0.07 0.00 0.00 0.00 0.00 51.96 53.03 2e5n s ALA 26 Cb -0.05 -3.34 -0.04 0.00 0.00 0.00 0.00 23.12 19.70 2e5n s ALA 26 CO 0.08 -0.18 -0.18 0.71 0.00 0.00 0.00 175.76 176.20 2e5n s TYR 27 N -0.82 1.60 0.16 0.00 1.51 -0.34 -4.86 117.35 114.59 2e5n s TYR 27 Ca 0.46 -0.46 -0.08 0.00 -1.01 0.00 0.00 57.07 55.98 2e5n s TYR 27 Cb -0.31 -0.85 -0.06 0.00 -0.11 0.00 0.00 41.96 40.62 2e5n s TYR 27 CO 0.39 0.19 0.45 0.15 -1.11 0.00 0.00 175.55 175.62 2e5n s LYS 28 N -2.20 3.73 0.18 -0.62 1.02 -1.26 0.25 119.74 120.83 2e5n s LYS 28 Ca 0.07 0.13 -0.14 0.00 0.02 0.00 0.00 55.97 56.05 2e5n s LYS 28 Cb -0.08 -2.81 0.17 0.00 -0.52 0.00 0.00 37.83 34.59 2e5n s LYS 28 CO 0.04 0.43 1.20 1.17 -0.92 0.00 0.00 175.35 177.27 2e5n n LYS 29 N 0.21 -0.19 0.01 1.68 3.00 -1.26 0.67 118.16 122.27 2e5n n LYS 29 Ca -0.03 1.19 -0.13 0.00 -0.00 0.00 0.00 58.31 59.35 2e5n n LYS 29 Cb 0.52 -1.77 -0.09 0.00 0.00 0.00 0.00 35.03 33.69 2e5n n LYS 29 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 2e5n h PRO 30 N 0.00 -0.06 0.33 1.64 0.13 -1.96 -3.16 132.00 128.92 2e5n h PRO 30 Ca 0.26 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.39 2e5n h PRO 30 Cb 0.45 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.59 2e5n h PRO 30 CO -0.77 0.40 -0.33 1.49 -0.23 0.00 0.00 178.00 178.57 2e5n h GLU 31 N -0.55 -0.63 -0.92 0.86 4.57 -1.29 -2.43 114.58 114.19 2e5n h GLU 31 Ca -0.01 0.04 0.28 0.00 -1.18 0.00 0.00 59.36 58.50 2e5n h GLU 31 Cb 0.49 0.14 -0.17 0.00 -0.16 0.00 0.00 28.75 29.06 2e5n h GLU 31 CO 0.01 -0.42 0.12 -0.11 -1.18 0.00 0.00 179.01 177.43 2e5n n LEU 32 N -4.35 -0.02 0.39 1.64 0.00 0.21 -0.25 117.00 114.63 2e5n n LEU 32 Ca -0.08 1.55 -0.19 0.00 0.00 0.00 0.00 56.01 57.29 2e5n n LEU 32 Cb 0.30 -0.61 -0.10 0.00 0.00 0.00 0.00 43.42 43.01 2e5n n LEU 32 CO 0.17 -1.61 0.53 -0.07 0.00 0.00 0.00 177.39 176.42 2e5n h LEU 33 N 0.00 -1.30 -0.65 -1.96 3.38 -1.41 -2.48 115.31 110.89 2e5n h LEU 33 Ca 0.61 0.08 0.24 0.00 0.09 0.00 0.00 57.88 58.90 2e5n h LEU 33 Cb 1.35 0.40 -0.12 0.00 0.09 0.00 0.00 40.66 42.37 2e5n h LEU 33 CO -0.83 -0.73 0.24 0.00 0.09 0.00 0.00 178.44 177.21 2e5n n ALA 34 N -2.76 0.56 -0.04 1.53 0.00 0.65 0.23 120.51 120.68 2e5n n ALA 34 Ca -0.14 0.68 -0.12 0.00 0.00 0.00 0.00 53.44 53.85 2e5n n ALA 34 Cb 0.49 -0.61 -0.07 0.00 0.00 0.00 0.00 19.45 19.26 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 0.24 0.28 0.00 2.47 -1.35 -2.73 114.38 113.28 2e5n h ARG 35 Ca 0.50 -0.09 -0.01 0.00 -1.26 0.00 0.00 59.98 59.12 2e5n h ARG 35 Cb 1.25 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 29.56 2e5n h ARG 35 CO -0.54 0.52 -0.14 -0.07 0.56 0.00 0.00 179.97 180.30 2e5n h LEU 36 N -0.05 -0.32 -1.22 3.04 3.38 0.31 -3.23 115.31 117.22 2e5n h LEU 36 Ca 0.03 -0.18 0.41 0.00 0.09 0.00 0.00 57.88 58.24 2e5n h LEU 36 Cb 0.42 0.08 -0.15 0.00 0.09 0.00 0.00 40.66 41.11 2e5n h LEU 36 CO 0.01 0.16 0.71 1.56 0.09 0.00 0.00 178.44 180.98 2e5n h GLN 37 N -0.97 0.11 -0.22 1.13 1.08 0.07 0.15 115.11 116.44 2e5n h GLN 37 Ca -0.04 -0.01 0.05 0.00 -1.45 0.00 0.00 58.65 57.20 2e5n h GLN 37 Cb 0.48 -0.02 -0.07 0.00 -0.05 0.00 0.00 27.48 27.81 2e5n h GLN 37 CO 0.06 0.07 -0.44 0.87 -0.95 0.00 0.00 178.83 178.44 2e5n h LYS 38 N 0.11 -0.44 0.00 1.46 1.57 -1.50 -0.22 116.57 117.56 2e5n h LYS 38 Ca 0.81 0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 59.61 2e5n h LYS 38 Cb 2.32 0.10 -0.00 0.00 0.08 0.00 0.00 32.23 34.73 2e5n h LYS 38 CO -0.55 -0.29 -0.06 -0.44 -0.57 0.00 0.00 179.45 177.54 2e5n h ASP 39 N -0.45 0.00 0.00 0.86 5.19 -0.92 -3.48 116.42 117.62 2e5n h ASP 39 Ca 0.09 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.50 2e5n h ASP 39 Cb 0.62 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.13 2e5n h ASP 39 CO -0.46 0.06 0.00 0.61 -3.12 0.00 0.00 179.24 176.33 2e5n n GLY 40 N 0.61 3.85 2.94 2.75 0.00 -0.09 -4.98 105.19 110.27 2e5n n GLY 40 Ca 0.02 -0.97 -0.24 0.00 0.00 0.00 0.00 46.02 44.83 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 0.90 0.45 1.61 1.01 -1.26 -4.58 120.40 118.53 2e5n s VAL 41 Ca 0.00 -0.30 -0.23 0.00 0.00 0.00 0.00 61.98 61.45 2e5n s VAL 41 Cb 0.00 -0.88 -0.08 0.00 0.00 0.00 0.00 36.38 35.42 2e5n s VAL 41 CO 0.00 0.32 1.15 0.21 0.00 0.00 0.00 175.10 176.78 2e5n s ASN 42 N 1.07 6.26 0.06 3.32 3.84 -1.26 -4.90 114.94 123.33 2e5n s ASN 42 Ca -0.08 2.27 -0.25 0.00 0.21 0.00 0.00 52.86 55.02 2e5n s ASN 42 Cb -0.14 -2.60 -0.17 0.00 -0.55 0.00 0.00 41.25 37.79 2e5n s ASN 42 CO -0.01 -0.85 1.60 -0.61 -2.79 0.00 0.00 177.10 174.44 2e5n h GLN 43 N 2.13 -0.16 0.00 0.43 4.15 -2.00 -0.51 115.11 119.15 2e5n h GLN 43 Ca -0.49 0.01 0.00 0.00 0.77 0.00 0.00 58.65 58.94 2e5n h GLN 43 Cb 1.24 0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.97 2e5n h GLN 43 CO 0.61 -0.01 0.22 1.57 -1.93 0.00 0.00 178.83 179.28 2e5n h LYS 44 N -0.27 0.00 0.03 1.69 2.10 -2.02 0.10 116.57 118.20 2e5n h LYS 44 Ca -0.02 0.00 -0.33 0.00 -2.00 0.00 0.00 60.65 58.30 2e5n h LYS 44 Cb 0.22 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.50 2e5n h LYS 44 CO 0.03 0.00 -2.00 -0.25 -2.00 0.00 0.00 179.45 175.22 2e5n n ASP 45 N -2.68 1.03 -0.33 7.07 9.92 -0.75 -3.54 116.55 127.27 2e5n n ASP 45 Ca -0.02 0.22 0.23 0.00 -0.53 0.00 0.00 54.79 54.69 2e5n n ASP 45 Cb 0.26 -0.01 0.51 0.00 -0.64 0.00 0.00 41.12 41.24 2e5n n ASP 45 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 2e5n h LYS 46 N 0.01 0.37 0.12 -1.24 1.57 0.81 0.29 116.57 118.51 2e5n h LYS 46 Ca -0.40 -0.02 -0.33 0.00 -1.87 0.00 0.00 60.65 58.02 2e5n h LYS 46 Cb 2.06 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 34.28 2e5n h LYS 46 CO 0.05 0.25 -1.77 -0.97 -0.57 0.00 0.00 179.45 176.44 2e5n h ASN 47 N 0.38 0.39 0.41 0.86 -1.24 -1.72 -3.31 115.58 111.35 2e5n h ASN 47 Ca 0.60 -0.70 0.00 0.00 0.71 0.00 0.00 56.30 56.92 2e5n h ASN 47 Cb 1.54 -0.13 0.00 0.00 0.73 0.00 0.00 38.32 40.46 2e5n h ASN 47 CO -0.30 1.60 0.00 -1.54 -1.29 0.00 0.00 177.43 175.90 2e5n n SER 48 N -3.44 0.00 0.34 1.15 3.41 -0.09 -3.38 113.62 111.61 2e5n n SER 48 Ca -0.24 0.36 -0.13 0.00 -0.26 0.00 0.00 58.87 58.60 2e5n n SER 48 Cb 1.05 -0.43 -0.06 0.00 -0.26 0.00 0.00 64.21 64.51 2e5n n SER 48 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2e5n h LEU 49 N 0.00 -0.74 -1.46 1.04 6.46 -0.60 -2.23 115.31 117.78 2e5n h LEU 49 Ca 0.00 0.03 0.40 0.00 -0.12 0.00 0.00 57.88 58.19 2e5n h LEU 49 Cb 0.20 0.19 -0.11 0.00 -0.73 0.00 0.00 40.66 40.21 2e5n h LEU 49 CO 0.00 -0.44 0.84 1.23 -0.62 0.00 0.00 178.44 179.46 2e5n h GLY 50 N -1.07 1.15 0.49 3.75 0.00 -1.77 0.15 103.07 105.77 2e5n h GLY 50 Ca -0.09 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 2e5n h GLY 50 CO 0.15 -0.30 -0.05 0.00 0.00 0.00 0.00 176.54 176.33 2e5n h ALA 51 N 1.56 -0.15 -0.53 3.60 0.00 -1.70 -3.25 119.26 118.80 2e5n h ALA 51 Ca 0.77 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 55.50 2e5n h ALA 51 Cb 2.40 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 20.20 2e5n h ALA 51 CO -0.35 -0.33 0.26 0.82 0.00 0.00 0.00 179.25 179.64 2e5n h ILE 52 N -0.66 0.93 -1.17 0.00 2.04 -0.16 -1.19 117.51 117.30 2e5n h ILE 52 Ca -0.02 -0.17 0.34 0.00 1.00 0.00 0.00 64.86 66.01 2e5n h ILE 52 Cb 0.51 0.39 -0.09 0.00 -0.74 0.00 0.00 36.82 36.89 2e5n h ILE 52 CO 0.03 0.09 0.78 -0.07 0.00 0.00 0.00 178.15 178.98 2e5n h LEU 53 N 0.49 0.28 0.00 1.44 3.38 -1.10 1.25 115.31 121.06 2e5n h LEU 53 Ca 0.24 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.28 2e5n h LEU 53 Cb 0.17 0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2e5n h LEU 53 CO -0.18 -0.00 -0.87 -0.61 0.09 0.00 0.00 178.44 176.87 2e5n h GLN 54 N 0.21 0.00 0.00 1.13 4.15 -1.29 1.01 115.11 120.33 2e5n h GLN 54 Ca 0.66 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 60.01 2e5n h GLN 54 Cb 2.02 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.70 2e5n h GLN 54 CO -0.25 0.00 -0.64 1.96 -1.93 0.00 0.00 178.83 177.97 2e5n h GLN 55 N 0.00 0.00 0.00 1.69 4.20 0.22 -3.38 115.11 117.84 2e5n h GLN 55 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2e5n h GLN 55 Cb 0.99 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.77 2e5n h GLN 55 CO 0.00 0.21 -0.70 1.33 -0.67 0.00 0.00 178.83 178.99 2e5n n VAL 56 N -3.00 0.00 -4.54 -0.54 0.24 0.13 -5.06 118.33 105.55 2e5n n VAL 56 Ca 0.00 0.00 -0.26 0.00 -2.04 0.00 0.00 64.34 62.04 2e5n n VAL 56 Cb 0.65 0.14 -0.08 0.00 -1.47 0.00 0.00 33.84 33.08 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 -1.46 3.02 -0.05 2.33 0.00 0.35 -0.08 121.76 125.87 2e5n s ALA 57 Ca 0.00 -1.25 0.01 0.00 0.00 0.00 0.00 51.96 50.72 2e5n s ALA 57 Cb 0.00 0.62 0.02 0.00 0.00 0.00 0.00 23.12 23.76 2e5n s ALA 57 CO 0.00 -0.28 -0.06 -0.80 0.00 0.00 0.00 175.76 174.62 2e5n s ASN 58 N -3.63 1.08 0.04 0.00 0.01 0.72 -3.48 114.94 109.68 2e5n s ASN 58 Ca 0.23 -0.16 -0.30 0.00 -0.71 0.00 0.00 52.86 51.92 2e5n s ASN 58 Cb 0.03 -0.51 -0.04 0.00 0.41 0.00 0.00 41.25 41.14 2e5n s ASN 58 CO 0.13 -0.04 1.03 -0.22 -1.51 0.00 0.00 177.10 176.49 2e5n s LEU 59 N 0.87 4.40 -0.66 0.60 0.20 -1.26 -0.25 118.68 122.58 2e5n s LEU 59 Ca -0.12 1.78 -0.09 0.00 0.69 0.00 0.00 54.13 56.39 2e5n s LEU 59 Cb -0.15 -3.58 0.17 0.00 -0.43 0.00 0.00 46.19 42.21 2e5n s LEU 59 CO 0.01 -0.27 0.54 0.21 -0.29 0.00 0.00 176.35 176.56 2e5n s ASN 60 N 0.77 5.99 0.55 3.68 3.84 -0.44 -4.92 114.94 124.41 2e5n s ASN 60 Ca 0.52 -2.49 0.36 0.00 0.21 0.00 0.00 52.86 51.47 2e5n s ASN 60 Cb -0.24 -2.05 1.25 0.00 -0.55 0.00 0.00 41.25 39.66 2e5n s ASN 60 CO 0.29 -0.56 1.34 -1.20 -2.79 0.00 0.00 177.10 174.19 2e5n n SER 61 N 4.14 0.00 0.11 -4.21 7.64 -1.26 0.62 113.62 120.65 2e5n n SER 61 Ca 0.05 0.83 -0.08 0.00 1.01 0.00 0.00 58.87 60.67 2e5n n SER 61 Cb 0.42 -0.36 -0.05 0.00 -1.01 0.00 0.00 64.21 63.22 2e5n n SER 61 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2e5n h LYS 62 N 0.00 -0.41 -0.28 1.43 1.63 -1.95 -3.22 116.57 113.77 2e5n h LYS 62 Ca 0.68 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.50 2e5n h LYS 62 Cb 3.17 0.09 0.00 0.00 -0.60 0.00 0.00 32.23 34.90 2e5n h LYS 62 CO -0.01 -0.27 0.00 -0.25 -3.45 0.00 0.00 179.45 175.47 2e5n n ASP 63 N -3.80 3.86 -1.82 4.20 8.00 0.11 -4.94 116.55 122.16 2e5n n ASP 63 Ca -0.05 -2.90 -0.05 0.00 0.71 0.00 0.00 54.79 52.50 2e5n n ASP 63 Cb 0.21 -0.52 -0.01 0.00 -0.02 0.00 0.00 41.12 40.78 2e5n n ASP 63 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2e5n n LEU 64 N -0.35 -0.43 -4.80 0.64 4.77 0.20 -4.88 117.00 112.15 2e5n n LEU 64 Ca 0.21 0.25 -0.36 0.00 -0.03 0.00 0.00 56.01 56.08 2e5n n LEU 64 Cb 0.85 -1.29 -0.07 0.00 -2.33 0.00 0.00 43.42 40.59 2e5n n LEU 64 CO 0.15 -0.16 -0.22 -0.94 -1.33 0.00 0.00 177.39 174.89 2e5n s SER 65 N -1.73 5.93 -0.20 -1.43 1.04 -1.23 -4.58 113.70 111.50 2e5n s SER 65 Ca 0.00 0.33 -0.22 0.00 0.48 0.00 0.00 55.95 56.53 2e5n s SER 65 Cb 0.00 -1.82 -0.02 0.00 0.10 0.00 0.00 66.02 64.28 2e5n s SER 65 CO 0.00 0.38 0.71 -0.31 0.98 0.00 0.00 173.24 175.00 2e5n s TYR 66 N -1.00 3.36 -0.22 5.02 2.02 0.14 -1.32 117.35 125.35 2e5n s TYR 66 Ca 0.15 1.02 -0.08 0.00 -0.37 0.00 0.00 57.07 57.80 2e5n s TYR 66 Cb -0.12 -2.89 -0.04 0.00 -0.40 0.00 0.00 41.96 38.51 2e5n s TYR 66 CO 0.05 -0.24 0.08 0.95 -1.57 0.00 0.00 175.55 174.81 2e5n s THR 67 N 2.18 4.63 0.18 -0.71 -4.23 0.66 -1.20 115.64 117.14 2e5n s THR 67 Ca 0.32 -0.08 -0.33 0.00 -1.18 0.00 0.00 61.69 60.42 2e5n s THR 67 Cb -0.16 -3.13 -0.14 0.00 1.34 0.00 0.00 72.50 70.42 2e5n s THR 67 CO 0.10 0.39 1.54 -0.11 -0.54 0.00 0.00 174.62 176.00 2e5n n LEU 68 N 4.24 3.09 0.00 4.79 0.00 -1.26 -0.20 117.00 127.67 2e5n n LEU 68 Ca -0.16 1.10 -0.12 0.00 0.00 0.00 0.00 56.01 56.83 2e5n n LEU 68 Cb 0.52 -1.43 0.12 0.00 0.00 0.00 0.00 43.42 42.63 2e5n n LEU 68 CO 0.33 -0.34 0.13 0.29 0.00 0.00 0.00 177.39 177.81 2e5n n LYS 69 N 3.08 -2.19 -0.02 1.96 5.02 0.89 -4.84 118.16 122.05 2e5n n LYS 69 Ca 0.16 -0.57 -0.02 0.00 -2.02 0.00 0.00 58.31 55.86 2e5n n LYS 69 Cb 0.29 -0.86 -0.01 0.00 -0.02 0.00 0.00 35.03 34.43 2e5n n LYS 69 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2e5n n ASP 70 N -3.04 0.60 -0.24 4.39 2.03 -1.26 -4.39 116.55 114.64 2e5n n ASP 70 Ca 0.05 0.33 0.03 0.00 0.52 0.00 0.00 54.79 55.72 2e5n n ASP 70 Cb 0.24 -0.61 0.12 0.00 -0.72 0.00 0.00 41.12 40.14 2e5n n ASP 70 CO 0.00 0.00 0.00 0.10 -1.92 0.00 0.00 177.20 175.38 2e5n h TYR 71 N -0.33 -0.18 -1.40 -0.67 -0.00 -1.95 0.40 116.97 112.84 2e5n h TYR 71 Ca 0.00 0.06 0.41 0.00 0.00 0.00 0.00 58.73 59.19 2e5n h TYR 71 Cb 0.20 0.19 -0.06 0.00 0.00 0.00 0.00 36.73 37.06 2e5n h TYR 71 CO -0.08 -0.26 1.20 0.28 -0.00 0.00 0.00 178.16 179.30 2e5n h VAL 72 N 0.06 0.09 -0.78 -0.90 2.07 -1.88 0.64 116.25 115.55 2e5n h VAL 72 Ca 0.37 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.97 2e5n h VAL 72 Cb 0.61 0.11 -0.07 0.00 -1.52 0.00 0.00 31.29 30.43 2e5n h VAL 72 CO -0.67 0.00 0.44 -0.26 0.02 0.00 0.00 177.57 177.11 2e5n h PHE 73 N 0.00 0.81 0.00 1.57 0.04 -0.40 0.28 116.94 119.24 2e5n h PHE 73 Ca 0.66 0.03 0.00 0.00 2.80 0.00 0.00 57.97 61.46 2e5n h PHE 73 Cb 3.05 -0.25 0.00 0.00 2.20 0.00 0.00 35.95 40.95 2e5n h PHE 73 CO 0.00 0.36 0.00 0.36 -0.60 0.00 0.00 178.31 178.43 2e5n n LYS 74 N -4.74 0.49 -0.00 1.51 2.85 0.22 -2.23 118.16 116.26 2e5n n LYS 74 Ca 0.12 0.04 0.11 0.00 -1.05 0.00 0.00 58.31 57.53 2e5n n LYS 74 Cb 0.23 -1.50 -0.15 0.00 -0.65 0.00 0.00 35.03 32.96 2e5n n LYS 74 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2e5n n GLU 75 N -1.12 0.61 -0.17 -1.58 1.02 0.94 -4.98 120.64 115.37 2e5n n GLU 75 Ca 0.13 -0.16 -0.16 0.00 -0.02 0.00 0.00 57.16 56.94 2e5n n GLU 75 Cb 0.11 -1.54 0.16 0.00 -0.02 0.00 0.00 31.44 30.14 2e5n n GLU 75 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2e5n n LEU 76 N -2.24 0.00 -3.73 -4.62 4.77 -0.95 -5.05 117.00 105.19 2e5n n LEU 76 Ca -0.03 -0.49 -0.21 0.00 -0.03 0.00 0.00 56.01 55.25 2e5n n LEU 76 Cb 0.55 -0.54 -0.18 0.00 -2.33 0.00 0.00 43.42 40.93 2e5n n LEU 76 CO 0.45 -2.17 -0.36 -1.10 -1.33 0.00 0.00 177.39 172.89 2e5n s GLN 77 N -4.15 0.27 0.28 3.23 -1.52 -1.26 -5.02 119.66 111.49 2e5n s GLN 77 Ca 0.36 0.23 -0.02 0.00 -1.95 0.00 0.00 55.36 53.99 2e5n s GLN 77 Cb -0.06 -0.73 0.39 0.00 -0.22 0.00 0.00 33.01 32.39 2e5n s GLN 77 CO 0.30 -0.30 1.84 0.00 -0.25 0.00 0.00 175.29 176.87 2e5n h ARG 78 N 8.31 0.87 -0.77 2.91 -0.00 -1.97 -1.53 114.38 122.19 2e5n h ARG 78 Ca -0.18 -0.16 0.00 0.00 -0.50 0.00 0.00 59.98 59.14 2e5n h ARG 78 Cb 1.12 -0.14 0.00 0.00 0.00 0.00 0.00 29.97 30.95 2e5n h ARG 78 CO 0.22 0.75 0.00 -3.47 0.00 0.00 0.00 179.97 177.48 2e5n n ASP 79 N -4.29 1.32 -4.69 7.04 2.03 -1.26 -4.90 116.55 111.80 2e5n n ASP 79 Ca 0.05 -2.08 -0.44 0.00 0.52 0.00 0.00 54.79 52.83 2e5n n ASP 79 Cb 0.20 -0.43 -0.04 0.00 -0.72 0.00 0.00 41.12 40.14 2e5n n ASP 79 CO 0.00 0.00 0.00 1.87 -1.92 0.00 0.00 177.20 177.15 2e5n n TRP 80 N 0.00 2.51 0.98 -0.67 -0.00 -0.58 -4.83 117.44 114.85 2e5n n TRP 80 Ca 0.03 0.05 0.05 0.00 -0.00 0.00 0.00 57.50 57.63 2e5n n TRP 80 Cb 0.30 -2.65 0.30 0.00 -0.00 0.00 0.00 31.31 29.26 2e5n n TRP 80 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 177.69 177.34 2e5n n PRO 81 N 4.63 0.49 0.00 5.87 -0.04 -1.26 -2.24 135.00 142.45 2e5n n PRO 81 Ca 0.18 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.76 2e5n n PRO 81 Cb 0.33 -1.32 0.14 0.00 -0.04 0.00 0.00 33.50 32.61 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 -0.01 0.69 3.26 0.55 0.00 -1.26 -4.85 105.19 103.57 2e5n n GLY 82 Ca 0.08 -0.65 -0.35 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.08 2.97 1.03 1.61 2.02 -0.95 -4.99 117.35 116.97 2e5n s TYR 83 Ca 0.28 -1.18 -0.17 0.00 -0.37 0.00 0.00 57.07 55.63 2e5n s TYR 83 Cb 0.20 -2.08 0.25 0.00 -0.40 0.00 0.00 41.96 39.93 2e5n s TYR 83 CO 0.35 -0.63 1.01 0.43 -1.57 0.00 0.00 175.55 175.15 2e5n n SER 84 N 4.75 -1.51 0.05 2.29 7.64 -1.26 -4.35 113.62 121.23 2e5n n SER 84 Ca -0.18 -1.17 0.21 0.00 1.01 0.00 0.00 58.87 58.75 2e5n n SER 84 Cb 0.50 -0.89 0.64 0.00 -1.01 0.00 0.00 64.21 63.44 2e5n n SER 84 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2e5n h GLU 85 N 0.00 0.00 0.00 1.43 4.81 -2.00 -1.94 114.58 116.88 2e5n h GLU 85 Ca -0.37 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 2e5n h GLU 85 Cb 1.09 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.47 2e5n h GLU 85 CO 0.24 0.00 -0.42 -0.89 -0.73 0.00 0.00 179.01 177.21 2e5n n ILE 86 N -3.42 0.80 -0.27 2.32 -0.00 -1.26 -4.31 119.36 113.23 2e5n n ILE 86 Ca 0.10 0.32 -0.00 0.00 -0.00 0.00 0.00 62.75 63.17 2e5n n ILE 86 Cb 0.86 -1.98 0.03 0.00 -0.00 0.00 0.00 39.64 38.56 2e5n n ILE 86 CO 0.00 0.00 0.00 0.47 -0.00 0.00 0.00 176.55 177.02 2e5n n ASP 87 N -3.57 -0.44 -0.25 4.38 8.00 -1.06 0.14 116.55 123.76 2e5n n ASP 87 Ca -0.06 1.21 0.01 0.00 0.71 0.00 0.00 54.79 56.67 2e5n n ASP 87 Cb 0.22 -0.28 0.09 0.00 -0.02 0.00 0.00 41.12 41.12 2e5n n ASP 87 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 2e5n h ARG 88 N 0.00 0.00 0.00 -1.24 3.08 -1.56 1.00 114.38 115.67 2e5n h ARG 88 Ca 0.25 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.30 2e5n h ARG 88 Cb 0.42 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.47 2e5n h ARG 88 CO -0.69 0.00 0.00 0.07 -1.07 0.00 0.00 179.97 178.28 2e5n h ARG 89 N 0.00 0.00 0.00 0.04 0.11 0.10 -2.36 114.38 112.28 2e5n h ARG 89 Ca 0.36 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.36 2e5n h ARG 89 Cb 0.55 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.62 2e5n h ARG 89 CO -0.75 0.00 -0.64 1.03 0.10 0.00 0.00 179.97 179.71 2e5n h SER 90 N 0.00 0.00 0.00 0.08 0.87 0.35 -3.35 113.55 111.50 2e5n h SER 90 Ca 0.00 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.42 2e5n h SER 90 Cb 0.77 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.71 2e5n h SER 90 CO 0.00 0.32 -0.87 0.25 -0.53 0.00 0.00 176.83 176.00 2e5n h LEU 91 N 0.00 0.00 -0.97 2.23 6.46 0.52 -3.35 115.31 120.20 2e5n h LEU 91 Ca -0.03 -0.44 0.16 0.00 -0.12 0.00 0.00 57.88 57.44 2e5n h LEU 91 Cb 1.27 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.18 2e5n h LEU 91 CO 0.04 1.22 0.97 1.05 -0.62 0.00 0.00 178.44 181.09 2e5n h GLU 92 N -1.00 0.00 0.29 1.25 4.11 -1.59 0.30 114.58 117.94 2e5n h GLU 92 Ca -0.21 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.20 2e5n h GLU 92 Cb 1.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.28 2e5n h GLU 92 CO -0.13 0.00 -0.14 1.03 0.07 0.00 0.00 179.01 179.84 2e5n h SER 93 N 0.00 -0.32 -0.02 3.06 0.87 -1.69 -2.66 113.55 112.78 2e5n h SER 93 Ca 0.26 -0.21 0.03 0.00 -1.23 0.00 0.00 61.79 60.65 2e5n h SER 93 Cb 2.19 0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 64.19 2e5n h SER 93 CO -0.00 0.09 -0.24 0.58 -0.53 0.00 0.00 176.83 176.74 2e5n h VAL 94 N -0.82 0.45 -0.90 2.23 2.07 -0.58 -0.52 116.25 118.18 2e5n h VAL 94 Ca -0.04 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.69 2e5n h VAL 94 Cb 0.51 0.45 -0.07 0.00 -1.52 0.00 0.00 31.29 30.67 2e5n h VAL 94 CO 0.06 0.00 0.60 -0.07 0.02 0.00 0.00 177.57 178.18 2e5n h LEU 95 N -0.36 0.40 0.10 2.57 3.38 -1.60 0.23 115.31 120.04 2e5n h LEU 95 Ca 0.07 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 2e5n h LEU 95 Cb 0.45 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2e5n h LEU 95 CO -0.23 0.16 -0.05 -1.28 0.09 0.00 0.00 178.44 177.13 2e5n h SER 96 N 0.40 -0.12 0.32 -0.43 0.87 -0.83 -1.39 113.55 112.36 2e5n h SER 96 Ca 0.47 -0.41 -0.02 0.00 -1.23 0.00 0.00 61.79 60.61 2e5n h SER 96 Cb 1.18 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 2e5n h SER 96 CO -0.18 0.39 -0.15 0.03 -0.53 0.00 0.00 176.83 176.39 2e5n h ARG 97 N -0.67 -0.41 0.60 2.24 3.08 -0.17 -3.23 114.38 115.82 2e5n h ARG 97 Ca -0.01 0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 2e5n h ARG 97 Cb 0.52 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 2e5n h ARG 97 CO 0.02 -0.26 -0.48 0.87 -1.07 0.00 0.00 179.97 179.05 2e5n h LYS 98 N -0.44 -1.02 -5.63 0.04 1.79 -0.69 -3.37 116.57 107.25 2e5n h LYS 98 Ca -0.04 0.07 -0.38 0.00 -2.18 0.00 0.00 60.65 58.12 2e5n h LYS 98 Cb 0.34 0.23 -0.00 0.00 -1.58 0.00 0.00 32.23 31.22 2e5n h LYS 98 CO 0.07 -0.68 1.25 -0.51 -1.08 0.00 0.00 179.45 178.51 2e5n s LEU 99 N -9.82 3.28 0.00 2.94 1.43 -0.52 -5.09 118.68 110.90 2e5n s LEU 99 Ca -0.18 0.68 0.29 0.00 -1.03 0.00 0.00 54.13 53.90 2e5n s LEU 99 Cb 0.04 -2.52 1.72 0.00 0.03 0.00 0.00 46.19 45.46 2e5n s LEU 99 CO 0.58 -2.98 2.06 -0.46 0.23 0.00 0.00 176.35 175.77