#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e5n n SER 2 N 0.00 -2.85 -4.50 1.61 7.64 -1.26 -4.60 113.62 109.66 2e5n n SER 2 Ca 0.00 0.74 -0.43 0.00 1.01 0.00 0.00 58.87 60.19 2e5n n SER 2 Cb 0.00 -0.92 -0.07 0.00 -1.01 0.00 0.00 64.21 62.20 2e5n n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2e5n n SER 3 N 2.10 1.78 -3.89 6.43 2.88 -1.26 -4.87 113.62 116.80 2e5n n SER 3 Ca 0.10 0.02 -0.29 0.00 -1.33 0.00 0.00 58.87 57.38 2e5n n SER 3 Cb 0.44 -1.30 -0.11 0.00 -0.75 0.00 0.00 64.21 62.49 2e5n n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2e5n n GLY 4 N 6.33 4.10 2.86 0.46 0.00 -1.26 -5.04 105.19 112.63 2e5n n GLY 4 Ca 0.45 -2.61 -0.25 0.00 0.00 0.00 0.00 46.02 43.61 2e5n n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2e5n s SER 5 N -1.45 1.97 0.20 1.61 1.04 -1.26 -5.11 113.70 110.70 2e5n s SER 5 Ca 0.26 -0.23 -0.32 0.00 0.48 0.00 0.00 55.95 56.14 2e5n s SER 5 Cb -0.03 -0.70 -0.14 0.00 0.10 0.00 0.00 66.02 65.25 2e5n s SER 5 CO -0.16 -0.14 1.41 -1.54 0.98 0.00 0.00 173.24 173.79 2e5n n SER 6 N 5.00 2.57 -2.20 7.02 3.41 -1.26 -4.99 113.62 123.18 2e5n n SER 6 Ca -0.11 1.13 0.00 0.00 -0.26 0.00 0.00 58.87 59.63 2e5n n SER 6 Cb 0.50 -1.38 0.00 0.00 -0.26 0.00 0.00 64.21 63.07 2e5n n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2e5n n GLY 7 N 2.47 0.34 3.21 5.00 0.00 -1.26 -5.13 105.19 109.82 2e5n n GLY 7 Ca 0.14 -1.70 -0.11 0.00 0.00 0.00 0.00 46.02 44.35 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 0.62 0.05 -0.03 2.61 -4.23 -1.26 -5.07 115.64 108.32 2e5n s THR 8 Ca 0.00 -1.89 -0.14 0.00 -1.18 0.00 0.00 61.69 58.48 2e5n s THR 8 Cb 0.00 -2.26 -0.32 0.00 1.34 0.00 0.00 72.50 71.27 2e5n s THR 8 CO 0.00 -0.21 0.77 0.40 -0.54 0.00 0.00 174.62 175.05 2e5n h ILE 9 N 2.69 1.10 -0.90 2.99 1.08 -1.95 -3.34 117.51 119.18 2e5n h ILE 9 Ca -0.35 -2.55 0.24 0.00 -0.39 0.00 0.00 64.86 61.81 2e5n h ILE 9 Cb 1.23 2.88 -0.14 0.00 -3.07 0.00 0.00 36.82 37.72 2e5n h ILE 9 CO 0.54 0.81 0.33 -1.28 -0.69 0.00 0.00 178.15 177.86 2e5n h SER 10 N 0.02 0.18 -0.20 1.72 0.87 -1.92 0.70 113.55 114.92 2e5n h SER 10 Ca -0.30 0.18 -0.05 0.00 -1.23 0.00 0.00 61.79 60.40 2e5n h SER 10 Cb 2.04 0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 64.19 2e5n h SER 10 CO 0.19 -0.10 -0.01 1.56 -0.53 0.00 0.00 176.83 177.93 2e5n h GLN 11 N 0.28 0.48 -7.17 2.24 1.08 -2.01 -3.44 115.11 106.59 2e5n h GLN 11 Ca 0.58 -0.10 -0.51 0.00 -1.45 0.00 0.00 58.65 57.17 2e5n h GLN 11 Cb 1.18 -0.07 0.09 0.00 -0.05 0.00 0.00 27.48 28.63 2e5n h GLN 11 CO -0.61 0.52 0.39 1.03 -0.95 0.00 0.00 178.83 179.22 2e5n s ARG 12 N -4.95 2.95 0.49 1.46 1.81 0.25 -5.00 118.95 115.96 2e5n s ARG 12 Ca -0.07 1.46 -0.21 0.00 -1.72 0.00 0.00 55.73 55.19 2e5n s ARG 12 Cb 0.15 -1.96 -0.07 0.00 -0.45 0.00 0.00 34.95 32.62 2e5n s ARG 12 CO 0.76 -1.14 1.15 -1.25 -0.68 0.00 0.00 175.30 174.14 2e5n s PRO 13 N -3.85 3.59 0.10 3.54 0.04 -1.26 -4.92 135.00 132.23 2e5n s PRO 13 Ca 0.69 1.70 -0.34 0.00 0.04 0.00 0.00 61.00 63.09 2e5n s PRO 13 Cb -0.22 -2.24 -0.14 0.00 0.04 0.00 0.00 34.50 31.94 2e5n s PRO 13 CO 0.37 -0.67 1.57 -0.92 0.04 0.00 0.00 177.00 177.39 2e5n h TYR 14 N 1.69 -1.38 -0.46 0.56 3.20 -1.93 -2.50 116.97 116.15 2e5n h TYR 14 Ca -0.50 0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.44 2e5n h TYR 14 Cb 1.25 0.57 -0.06 0.00 1.54 0.00 0.00 36.73 40.04 2e5n h TYR 14 CO 0.52 -0.60 -0.27 -2.13 -1.64 0.00 0.00 178.16 174.04 2e5n n ARG 15 N -5.51 -0.20 -0.19 1.82 0.63 -1.26 -0.30 116.66 111.66 2e5n n ARG 15 Ca -0.09 1.07 -0.06 0.00 -0.92 0.00 0.00 57.85 57.84 2e5n n ARG 15 Cb 0.42 -1.59 -0.01 0.00 0.45 0.00 0.00 32.46 31.73 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 -1.24 -0.91 6.15 5.19 -1.92 0.20 116.42 123.88 2e5n h ASP 16 Ca 0.07 0.23 0.23 0.00 -0.62 0.00 0.00 57.03 56.94 2e5n h ASP 16 Cb 0.19 0.59 -0.13 0.00 0.18 0.00 0.00 39.33 40.16 2e5n h ASP 16 CO -0.43 -0.32 0.42 0.03 -3.12 0.00 0.00 179.24 175.81 2e5n h ARG 17 N -0.20 0.39 0.27 3.56 3.08 -0.20 0.57 114.38 121.84 2e5n h ARG 17 Ca 0.21 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.22 2e5n h ARG 17 Cb 0.56 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.52 2e5n h ARG 17 CO -0.66 0.26 -0.13 0.28 -1.07 0.00 0.00 179.97 178.65 2e5n h VAL 18 N 0.40 0.00 -0.79 2.04 2.07 0.80 -2.60 116.25 118.17 2e5n h VAL 18 Ca 0.58 -0.17 0.23 0.00 0.82 0.00 0.00 66.70 68.16 2e5n h VAL 18 Cb 1.13 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 2e5n h VAL 18 CO -0.54 0.00 0.62 0.16 0.02 0.00 0.00 177.57 177.84 2e5n h ILE 19 N -0.53 0.48 0.00 4.57 3.07 -0.73 0.78 117.51 125.15 2e5n h ILE 19 Ca -0.04 0.00 -0.09 0.00 1.55 0.00 0.00 64.86 66.28 2e5n h ILE 19 Cb 0.27 0.55 -0.01 0.00 -0.27 0.00 0.00 36.82 37.36 2e5n h ILE 19 CO 0.06 0.00 -0.44 0.45 -1.05 0.00 0.00 178.15 177.17 2e5n h HIS 20 N 0.00 0.00 0.11 0.16 3.86 0.16 -1.83 115.15 117.61 2e5n h HIS 20 Ca 0.38 0.00 -0.34 0.00 -1.16 0.00 0.00 60.37 59.24 2e5n h HIS 20 Cb 1.62 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 30.07 2e5n h HIS 20 CO 0.00 0.44 -1.84 -0.07 0.86 0.00 0.00 177.93 177.32 2e5n h LEU 21 N 0.00 0.38 -1.42 2.43 3.38 0.86 -3.36 115.31 117.57 2e5n h LEU 21 Ca -0.00 -0.89 -0.06 0.00 0.09 0.00 0.00 57.88 57.02 2e5n h LEU 21 Cb 0.95 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 2e5n h LEU 21 CO 0.06 1.79 -0.29 -0.07 0.09 0.00 0.00 178.44 180.02 2e5n h LEU 22 N -0.10 0.00 0.18 1.67 3.38 -0.93 -3.21 115.31 116.31 2e5n h LEU 22 Ca -0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.57 2e5n h LEU 22 Cb 1.92 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.64 2e5n h LEU 22 CO 0.05 0.29 -0.39 0.00 0.09 0.00 0.00 178.44 178.48 2e5n h ALA 23 N 1.71 -0.94 -0.69 1.53 0.00 -1.48 -2.65 119.26 116.75 2e5n h ALA 23 Ca -0.00 -0.10 0.13 0.00 0.00 0.00 0.00 54.91 54.93 2e5n h ALA 23 Cb 0.53 0.74 -0.13 0.00 0.00 0.00 0.00 17.79 18.92 2e5n h ALA 23 CO 0.04 -1.02 -0.25 -0.07 0.00 0.00 0.00 179.25 177.96 2e5n h LEU 24 N -0.63 -0.88 -8.05 0.00 3.38 -1.73 -3.45 115.31 103.95 2e5n h LEU 24 Ca -0.02 0.23 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 2e5n h LEU 24 Cb 0.60 0.51 -0.03 0.00 0.09 0.00 0.00 40.66 41.83 2e5n h LEU 24 CO -0.16 -0.27 0.21 -1.59 0.09 0.00 0.00 178.44 176.72 2e5n s LYS 25 N -6.14 2.00 0.14 1.13 -2.85 -1.00 -5.07 119.74 107.95 2e5n s LYS 25 Ca -0.14 -1.27 -0.30 0.00 -1.00 0.00 0.00 55.97 53.26 2e5n s LYS 25 Cb 0.19 0.60 -0.07 0.00 -2.06 0.00 0.00 37.83 36.49 2e5n s LYS 25 CO 0.73 -0.92 1.16 0.00 0.10 0.00 0.00 175.35 176.41 2e5n s ALA 26 N -3.10 3.39 0.02 0.59 0.00 -1.26 -4.11 121.76 117.30 2e5n s ALA 26 Ca 0.15 0.85 0.07 0.00 0.00 0.00 0.00 51.96 53.03 2e5n s ALA 26 Cb -0.05 -3.40 -0.02 0.00 0.00 0.00 0.00 23.12 19.65 2e5n s ALA 26 CO 0.10 -0.33 -0.20 0.71 0.00 0.00 0.00 175.76 176.04 2e5n s TYR 27 N 0.27 1.80 0.30 0.00 1.51 -0.66 -4.86 117.35 115.71 2e5n s TYR 27 Ca 0.53 -0.36 -0.15 0.00 -1.01 0.00 0.00 57.07 56.08 2e5n s TYR 27 Cb -0.30 -1.10 -0.09 0.00 -0.11 0.00 0.00 41.96 40.36 2e5n s TYR 27 CO 0.33 0.05 0.72 0.15 -1.11 0.00 0.00 175.55 175.69 2e5n s LYS 28 N -0.93 4.02 0.19 -0.62 3.01 -1.26 -1.19 119.74 122.97 2e5n s LYS 28 Ca 0.07 0.67 -0.14 0.00 -1.01 0.00 0.00 55.97 55.56 2e5n s LYS 28 Cb -0.08 -2.52 0.19 0.00 -1.01 0.00 0.00 37.83 34.41 2e5n s LYS 28 CO 0.01 0.21 1.26 1.17 0.51 0.00 0.00 175.35 178.51 2e5n n LYS 29 N -0.17 -0.19 -0.05 1.68 3.00 -1.26 0.50 118.16 121.67 2e5n n LYS 29 Ca 0.02 1.25 -0.13 0.00 -0.00 0.00 0.00 58.31 59.45 2e5n n LYS 29 Cb 0.53 -1.86 -0.08 0.00 0.00 0.00 0.00 35.03 33.62 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 0.29 0.51 1.64 0.13 -1.96 -3.17 132.00 129.44 2e5n h PRO 30 Ca 0.28 -0.15 -0.02 0.00 -0.87 0.00 0.00 66.00 65.24 2e5n h PRO 30 Cb 0.49 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.62 2e5n h PRO 30 CO -0.81 0.69 -0.34 1.49 -0.23 0.00 0.00 178.00 178.80 2e5n h GLU 31 N -0.11 -0.78 -0.99 0.86 4.81 -1.08 -2.50 114.58 114.80 2e5n h GLU 31 Ca 0.02 0.05 0.38 0.00 -0.13 0.00 0.00 59.36 59.69 2e5n h GLU 31 Cb 0.64 0.18 -0.18 0.00 0.63 0.00 0.00 28.75 30.02 2e5n h GLU 31 CO 0.03 -0.52 0.43 -0.11 -0.73 0.00 0.00 179.01 178.11 2e5n n LEU 32 N -4.51 0.25 0.35 1.64 0.00 0.18 0.08 117.00 114.98 2e5n n LEU 32 Ca -0.10 1.64 -0.18 0.00 0.00 0.00 0.00 56.01 57.38 2e5n n LEU 32 Cb 0.34 -0.76 -0.09 0.00 0.00 0.00 0.00 43.42 42.91 2e5n n LEU 32 CO 0.23 -1.81 0.67 -0.07 0.00 0.00 0.00 177.39 176.41 2e5n h LEU 33 N 0.00 -0.72 -1.55 -1.96 3.38 -1.43 -2.37 115.31 110.66 2e5n h LEU 33 Ca 0.79 0.03 0.45 0.00 0.09 0.00 0.00 57.88 59.24 2e5n h LEU 33 Cb 2.02 0.19 -0.07 0.00 0.09 0.00 0.00 40.66 42.89 2e5n h LEU 33 CO -0.79 -0.51 1.11 0.00 0.09 0.00 0.00 178.44 178.33 2e5n n ALA 34 N -2.46 1.49 -0.02 1.53 0.00 0.11 0.20 120.51 121.36 2e5n n ALA 34 Ca -0.13 0.53 -0.16 0.00 0.00 0.00 0.00 53.44 53.68 2e5n n ALA 34 Cb 0.34 -0.90 -0.13 0.00 0.00 0.00 0.00 19.45 18.76 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 0.14 0.06 0.00 2.47 -1.40 -3.19 114.38 112.46 2e5n h ARG 35 Ca 0.75 -0.21 -0.00 0.00 -1.26 0.00 0.00 59.98 59.26 2e5n h ARG 35 Cb 2.97 0.07 0.00 0.00 -1.65 0.00 0.00 29.97 31.36 2e5n h ARG 35 CO -0.03 1.04 -0.03 -0.07 0.56 0.00 0.00 179.97 181.44 2e5n h LEU 36 N -0.65 -0.07 -1.72 3.04 3.38 0.24 -3.17 115.31 116.36 2e5n h LEU 36 Ca -0.05 -0.51 0.34 0.00 0.09 0.00 0.00 57.88 57.74 2e5n h LEU 36 Cb 1.18 0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.88 2e5n h LEU 36 CO 0.06 0.51 0.81 1.56 0.09 0.00 0.00 178.44 181.47 2e5n h GLN 37 N -0.69 0.14 0.38 1.13 1.08 -0.30 0.98 115.11 117.83 2e5n h GLN 37 Ca -0.01 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.17 2e5n h GLN 37 Cb 0.58 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.96 2e5n h GLN 37 CO 0.01 0.09 -0.28 0.87 -0.95 0.00 0.00 178.83 178.57 2e5n h LYS 38 N 0.15 -0.64 -0.02 1.46 1.57 -1.53 -2.76 116.57 114.80 2e5n h LYS 38 Ca 0.62 0.04 -0.13 0.00 -1.87 0.00 0.00 60.65 59.31 2e5n h LYS 38 Cb 2.10 0.14 -0.02 0.00 0.08 0.00 0.00 32.23 34.54 2e5n h LYS 38 CO -0.15 -0.42 -0.58 -0.44 -0.57 0.00 0.00 179.45 177.29 2e5n h ASP 39 N -0.66 0.08 0.00 0.86 5.19 -1.12 -3.47 116.42 117.29 2e5n h ASP 39 Ca -0.03 -0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.33 2e5n h ASP 39 Cb 0.57 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.06 2e5n h ASP 39 CO 0.00 0.64 0.00 0.61 -3.12 0.00 0.00 179.24 177.37 2e5n n GLY 40 N 0.15 2.47 3.66 2.75 0.00 0.15 -4.92 105.19 109.45 2e5n n GLY 40 Ca -0.02 -0.38 -0.36 0.00 0.00 0.00 0.00 46.02 45.27 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 5.21 0.03 1.61 1.01 -1.25 -4.82 120.40 122.19 2e5n s VAL 41 Ca 0.00 0.12 -0.30 0.00 0.00 0.00 0.00 61.98 61.80 2e5n s VAL 41 Cb 0.00 -3.40 -0.06 0.00 0.00 0.00 0.00 36.38 32.92 2e5n s VAL 41 CO 0.00 0.39 1.36 0.21 0.00 0.00 0.00 175.10 177.06 2e5n s ASN 42 N 0.79 6.89 0.37 3.32 2.47 -1.26 -4.87 114.94 122.65 2e5n s ASN 42 Ca 0.07 2.12 0.23 0.00 0.42 0.00 0.00 52.86 55.70 2e5n s ASN 42 Cb -0.13 -2.57 1.33 0.00 -1.45 0.00 0.00 41.25 38.44 2e5n s ASN 42 CO 0.02 -0.67 1.51 1.67 -3.72 0.00 0.00 177.10 175.92 2e5n n GLN 43 N 4.89 -0.05 0.28 0.43 7.27 -1.26 0.36 117.38 129.30 2e5n n GLN 43 Ca 0.12 1.29 -0.16 0.00 0.07 0.00 0.00 57.00 58.32 2e5n n GLN 43 Cb 0.44 -2.38 -0.08 0.00 2.41 0.00 0.00 30.24 30.63 2e5n n GLN 43 CO 0.00 0.00 0.00 -0.22 0.07 0.00 0.00 177.06 176.91 2e5n h LYS 44 N 0.00 -0.65 -0.82 3.69 1.63 -2.02 -2.98 116.57 115.41 2e5n h LYS 44 Ca 0.82 0.04 0.07 0.00 -0.85 0.00 0.00 60.65 60.74 2e5n h LYS 44 Cb 2.32 0.15 -0.07 0.00 -0.60 0.00 0.00 32.23 34.03 2e5n h LYS 44 CO -0.66 -0.40 0.49 -0.44 -3.45 0.00 0.00 179.45 174.99 2e5n h ASP 45 N -0.74 0.74 -1.17 4.20 3.32 -0.47 -1.56 116.42 120.74 2e5n h ASP 45 Ca -0.07 0.03 0.34 0.00 0.02 0.00 0.00 57.03 57.35 2e5n h ASP 45 Cb 0.55 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 39.93 2e5n h ASP 45 CO 0.11 0.45 1.20 0.29 -1.72 0.00 0.00 179.24 179.57 2e5n n LYS 46 N -4.69 0.01 -0.12 3.56 5.02 -0.43 0.14 118.16 121.66 2e5n n LYS 46 Ca 0.12 0.97 -0.17 0.00 -2.02 0.00 0.00 58.31 57.22 2e5n n LYS 46 Cb 0.22 -2.39 -0.13 0.00 -0.02 0.00 0.00 35.03 32.71 2e5n n LYS 46 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2e5n n ASN 47 N -3.27 1.68 -0.23 4.39 3.02 -0.60 -4.41 115.26 115.83 2e5n n ASN 47 Ca 0.26 -0.09 -0.02 0.00 -0.03 0.00 0.00 54.58 54.70 2e5n n ASN 47 Cb 1.55 -0.23 0.17 0.00 -0.61 0.00 0.00 39.78 40.67 2e5n n ASN 47 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 2e5n h SER 48 N 0.00 0.93 -0.21 6.41 0.02 0.15 -3.21 113.55 117.64 2e5n h SER 48 Ca -0.56 -0.09 0.02 0.00 -0.84 0.00 0.00 61.79 60.32 2e5n h SER 48 Cb 1.96 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 64.24 2e5n h SER 48 CO -0.06 0.77 -0.12 -0.11 -1.14 0.00 0.00 176.83 176.16 2e5n n LEU 49 N -4.35 -0.22 -0.56 5.07 0.00 0.69 0.14 117.00 117.77 2e5n n LEU 49 Ca 0.07 1.03 0.45 0.00 0.00 0.00 0.00 56.01 57.57 2e5n n LEU 49 Cb 0.11 -0.38 0.73 0.00 0.00 0.00 0.00 43.42 43.89 2e5n n LEU 49 CO 0.38 -0.63 1.33 0.61 0.00 0.00 0.00 177.39 179.08 2e5n n GLY 50 N -1.05 -0.90 0.15 -3.96 0.00 -1.21 0.15 105.19 98.37 2e5n n GLY 50 Ca 0.00 0.74 -0.23 0.00 0.00 0.00 0.00 46.02 46.53 2e5n n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2e5n h ALA 51 N 1.37 -0.09 -0.48 4.61 0.00 0.10 -3.29 119.26 121.48 2e5n h ALA 51 Ca 0.91 -0.83 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 2e5n h ALA 51 Cb 3.21 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 21.12 2e5n h ALA 51 CO -0.30 0.71 -0.04 0.82 0.00 0.00 0.00 179.25 180.44 2e5n h ILE 52 N 0.19 1.27 -0.90 0.00 2.04 0.37 -1.88 117.51 118.60 2e5n h ILE 52 Ca -0.23 -1.14 0.16 0.00 1.00 0.00 0.00 64.86 64.65 2e5n h ILE 52 Cb 2.07 1.03 -0.07 0.00 -0.74 0.00 0.00 36.82 39.11 2e5n h ILE 52 CO 0.26 0.40 0.58 -0.07 0.00 0.00 0.00 178.15 179.32 2e5n h LEU 53 N 0.73 0.61 0.00 1.44 3.38 -0.87 0.64 115.31 121.25 2e5n h LEU 53 Ca 0.13 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2e5n h LEU 53 Cb 0.57 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2e5n h LEU 53 CO 0.03 0.29 -0.45 1.67 0.09 0.00 0.00 178.44 180.08 2e5n n GLN 54 N -4.57 0.12 0.03 1.13 7.27 -1.10 0.11 117.38 120.37 2e5n n GLN 54 Ca 0.18 0.04 0.08 0.00 0.07 0.00 0.00 57.00 57.37 2e5n n GLN 54 Cb 0.52 -1.58 -0.09 0.00 2.41 0.00 0.00 30.24 31.50 2e5n n GLN 54 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 2e5n n GLN 55 N -1.75 0.64 0.00 3.69 1.13 0.11 -4.52 117.38 116.68 2e5n n GLN 55 Ca 0.05 -0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.11 2e5n n GLN 55 Cb 0.38 -1.68 0.00 0.00 0.11 0.00 0.00 30.24 29.05 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 -2.55 0.00 -4.61 5.09 0.24 0.18 -5.05 118.33 111.63 2e5n n VAL 56 Ca -0.06 0.00 -0.28 0.00 -2.04 0.00 0.00 64.34 61.96 2e5n n VAL 56 Cb 0.65 -0.05 -0.08 0.00 -1.47 0.00 0.00 33.84 32.89 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 -1.58 3.34 -0.06 2.33 0.00 0.30 0.10 121.76 126.20 2e5n s ALA 57 Ca 0.00 -1.01 0.03 0.00 0.00 0.00 0.00 51.96 50.97 2e5n s ALA 57 Cb 0.00 0.46 0.01 0.00 0.00 0.00 0.00 23.12 23.59 2e5n s ALA 57 CO 0.00 -0.21 -0.14 -0.80 0.00 0.00 0.00 175.76 174.61 2e5n s ASN 58 N -3.70 1.91 0.17 0.00 0.01 0.14 -3.73 114.94 109.74 2e5n s ASN 58 Ca 0.18 -0.32 -0.30 0.00 -0.71 0.00 0.00 52.86 51.71 2e5n s ASN 58 Cb 0.03 -0.84 -0.07 0.00 0.41 0.00 0.00 41.25 40.78 2e5n s ASN 58 CO 0.10 0.06 0.95 -0.22 -1.51 0.00 0.00 177.10 176.48 2e5n s LEU 59 N 0.56 4.57 -0.40 0.60 0.20 -1.26 -0.42 118.68 122.53 2e5n s LEU 59 Ca -0.14 1.87 -0.00 0.00 0.69 0.00 0.00 54.13 56.55 2e5n s LEU 59 Cb -0.15 -3.60 0.11 0.00 -0.43 0.00 0.00 46.19 42.12 2e5n s LEU 59 CO 0.04 0.04 0.16 0.21 -0.29 0.00 0.00 176.35 176.51 2e5n s ASN 60 N -0.56 5.08 0.49 3.68 3.84 -0.20 -4.96 114.94 122.31 2e5n s ASN 60 Ca 0.44 -2.13 0.36 0.00 0.21 0.00 0.00 52.86 51.75 2e5n s ASN 60 Cb -0.25 -1.76 1.51 0.00 -0.55 0.00 0.00 41.25 40.21 2e5n s ASN 60 CO 0.31 -0.48 1.67 0.77 -2.79 0.00 0.00 177.10 176.58 2e5n h SER 61 N 7.83 0.14 -0.06 -4.21 4.64 -1.94 0.70 113.55 120.64 2e5n h SER 61 Ca -0.09 0.06 0.01 0.00 -0.47 0.00 0.00 61.79 61.29 2e5n h SER 61 Cb 1.03 0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 63.16 2e5n h SER 61 CO 0.64 -0.05 -0.05 0.50 -0.87 0.00 0.00 176.83 176.99 2e5n h LYS 62 N 0.07 -0.02 -0.15 4.77 3.64 -1.95 -3.08 116.57 119.85 2e5n h LYS 62 Ca 0.77 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 60.11 2e5n h LYS 62 Cb 2.72 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 34.52 2e5n h LYS 62 CO -0.19 -0.01 -0.09 -0.25 -2.27 0.00 0.00 179.45 176.64 2e5n n ASP 63 N -3.07 2.73 -4.17 4.20 8.00 -0.75 -4.96 116.55 118.52 2e5n n ASP 63 Ca -0.00 -3.33 -0.36 0.00 0.71 0.00 0.00 54.79 51.81 2e5n n ASP 63 Cb 0.03 -0.52 -0.04 0.00 -0.02 0.00 0.00 41.12 40.56 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 -1.06 -1.22 -4.64 0.64 4.77 0.24 -4.92 117.00 110.81 2e5n n LEU 64 Ca 0.21 -0.96 -0.33 0.00 -0.03 0.00 0.00 56.01 54.91 2e5n n LEU 64 Cb 0.80 -1.82 -0.10 0.00 -2.33 0.00 0.00 43.42 39.97 2e5n n LEU 64 CO 0.08 0.18 -0.35 -0.94 -1.33 0.00 0.00 177.39 175.03 2e5n s SER 65 N -3.13 4.90 -0.19 -1.43 1.04 -1.17 -4.55 113.70 109.17 2e5n s SER 65 Ca 0.71 -0.03 -0.16 0.00 0.48 0.00 0.00 55.95 56.95 2e5n s SER 65 Cb -0.40 -1.25 -0.04 0.00 0.10 0.00 0.00 66.02 64.43 2e5n s SER 65 CO 0.87 0.31 0.40 -0.31 0.98 0.00 0.00 173.24 175.49 2e5n s TYR 66 N -0.98 3.40 -0.19 5.02 2.02 -0.33 -1.04 117.35 125.24 2e5n s TYR 66 Ca 0.17 0.65 -0.04 0.00 -0.37 0.00 0.00 57.07 57.48 2e5n s TYR 66 Cb -0.11 -2.52 -0.02 0.00 -0.40 0.00 0.00 41.96 38.91 2e5n s TYR 66 CO 0.07 0.03 -0.03 0.95 -1.57 0.00 0.00 175.55 175.00 2e5n s THR 67 N 1.16 3.68 0.15 -0.71 -4.23 0.44 -1.65 115.64 114.48 2e5n s THR 67 Ca 0.20 -0.41 -0.34 0.00 -1.18 0.00 0.00 61.69 59.96 2e5n s THR 67 Cb -0.15 -2.65 -0.14 0.00 1.34 0.00 0.00 72.50 70.90 2e5n s THR 67 CO 0.08 0.44 1.58 -0.11 -0.54 0.00 0.00 174.62 176.07 2e5n n LEU 68 N 4.25 3.04 0.00 4.79 0.00 -1.26 0.26 117.00 128.07 2e5n n LEU 68 Ca -0.18 1.08 -0.09 0.00 0.00 0.00 0.00 56.01 56.82 2e5n n LEU 68 Cb 0.52 -1.41 0.09 0.00 0.00 0.00 0.00 43.42 42.61 2e5n n LEU 68 CO 0.31 -0.32 0.10 0.29 0.00 0.00 0.00 177.39 177.78 2e5n n LYS 69 N 3.52 -1.19 -0.10 1.96 5.02 0.12 -4.83 118.16 122.66 2e5n n LYS 69 Ca 0.17 -0.44 -0.19 0.00 -2.02 0.00 0.00 58.31 55.83 2e5n n LYS 69 Cb 0.28 -0.80 -0.12 0.00 -0.02 0.00 0.00 35.03 34.37 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 -1.92 2.01 -0.06 4.39 2.03 -1.26 -4.37 116.55 117.38 2e5n n ASP 70 Ca 0.04 -0.03 -0.13 0.00 0.52 0.00 0.00 54.79 55.20 2e5n n ASP 70 Cb 0.18 -0.54 -0.07 0.00 -0.72 0.00 0.00 41.12 39.97 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 -0.05 0.39 -1.24 -0.67 -0.00 -1.94 -3.02 116.97 110.45 2e5n h TYR 71 Ca -0.55 -0.11 0.36 0.00 -0.00 0.00 0.00 58.73 58.43 2e5n h TYR 71 Cb 1.91 -0.09 -0.07 0.00 -0.00 0.00 0.00 36.73 38.48 2e5n h TYR 71 CO 0.04 0.68 0.86 0.28 -0.00 0.00 0.00 178.16 180.02 2e5n h VAL 72 N -0.01 0.36 -1.14 -0.90 2.07 -1.87 0.27 116.25 115.04 2e5n h VAL 72 Ca 0.03 -0.04 0.32 0.00 0.82 0.00 0.00 66.70 67.83 2e5n h VAL 72 Cb 0.59 0.23 -0.08 0.00 -1.52 0.00 0.00 31.29 30.52 2e5n h VAL 72 CO 0.03 0.02 0.77 -0.26 0.02 0.00 0.00 177.57 178.14 2e5n h PHE 73 N 0.12 0.40 -0.01 1.57 0.04 -1.73 0.92 116.94 118.25 2e5n h PHE 73 Ca 0.64 0.01 -0.15 0.00 2.80 0.00 0.00 57.97 61.28 2e5n h PHE 73 Cb 2.25 -0.11 -0.02 0.00 2.20 0.00 0.00 35.95 40.27 2e5n h PHE 73 CO -0.00 0.01 -0.70 1.57 -0.60 0.00 0.00 178.31 178.58 2e5n h LYS 74 N 0.21 0.05 0.00 1.51 2.10 -0.65 -2.98 116.57 116.81 2e5n h LYS 74 Ca 0.61 -0.04 -0.03 0.00 -2.00 0.00 0.00 60.65 59.19 2e5n h LYS 74 Cb 1.93 0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 33.27 2e5n h LYS 74 CO -0.20 0.73 -0.13 0.93 -2.00 0.00 0.00 179.45 178.77 2e5n h GLU 75 N 0.03 0.00 -7.13 0.07 5.08 0.78 -3.45 114.58 109.96 2e5n h GLU 75 Ca -0.01 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.82 2e5n h GLU 75 Cb 1.24 0.00 0.20 0.00 0.50 0.00 0.00 28.75 30.69 2e5n h GLU 75 CO 0.09 0.13 0.10 1.28 -1.00 0.00 0.00 179.01 179.62 2e5n n LEU 76 N -3.36 3.05 -4.17 1.33 4.77 -0.96 -5.01 117.00 112.66 2e5n n LEU 76 Ca -0.00 0.48 -0.34 0.00 -0.03 0.00 0.00 56.01 56.12 2e5n n LEU 76 Cb 0.34 -1.43 -0.15 0.00 -2.33 0.00 0.00 43.42 39.84 2e5n n LEU 76 CO 0.30 -2.27 -0.45 -1.10 -1.33 0.00 0.00 177.39 172.54 2e5n s GLN 77 N -4.16 2.86 0.29 3.23 -0.21 -1.26 -4.97 119.66 115.44 2e5n s GLN 77 Ca 0.68 -0.94 0.18 0.00 0.02 0.00 0.00 55.36 55.29 2e5n s GLN 77 Cb -0.26 -2.84 0.97 0.00 1.00 0.00 0.00 33.01 31.88 2e5n s GLN 77 CO 0.57 -0.34 1.52 0.54 -2.12 0.00 0.00 175.29 175.46 2e5n n ARG 78 N 4.63 0.12 -0.85 2.91 1.74 -1.26 -0.07 116.66 123.87 2e5n n ARG 78 Ca -0.18 0.61 0.07 0.00 -0.77 0.00 0.00 57.85 57.58 2e5n n ARG 78 Cb 0.48 -1.94 0.40 0.00 -1.02 0.00 0.00 32.46 30.37 2e5n n ARG 78 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2e5n n ASP 79 N -2.13 5.57 -4.67 0.55 5.75 -1.26 -4.97 116.55 115.38 2e5n n ASP 79 Ca -0.01 -2.89 -0.42 0.00 -0.01 0.00 0.00 54.79 51.46 2e5n n ASP 79 Cb 0.09 -0.67 -0.03 0.00 -1.03 0.00 0.00 41.12 39.48 2e5n n ASP 79 CO 0.00 0.00 0.00 0.86 -0.11 0.00 0.00 177.20 177.95 2e5n s TRP 80 N -2.68 1.65 -1.71 2.11 -0.11 0.89 -4.85 118.94 114.24 2e5n s TRP 80 Ca 0.54 -0.20 0.15 0.00 1.22 0.00 0.00 56.10 57.81 2e5n s TRP 80 Cb 0.41 -4.15 0.84 0.00 -1.50 0.00 0.00 33.47 29.06 2e5n s TRP 80 CO 0.17 -5.00 1.37 -0.35 -4.62 0.00 0.00 176.95 168.52 2e5n n PRO 81 N 7.00 0.35 0.14 5.86 -0.04 -1.26 -2.48 135.00 144.56 2e5n n PRO 81 Ca 0.19 0.07 0.07 0.00 -0.04 0.00 0.00 63.50 63.79 2e5n n PRO 81 Cb 0.41 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.41 2e5n n PRO 81 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2e5n h GLY 82 N 2.44 0.00 -6.68 0.55 0.00 -1.97 -3.44 103.07 93.96 2e5n h GLY 82 Ca 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 46.71 2e5n h GLY 82 CO 0.00 0.00 0.21 -0.19 0.00 0.00 0.00 176.54 176.56 2e5n s TYR 83 N -3.11 3.18 0.99 5.60 2.02 -1.04 -5.00 117.35 119.99 2e5n s TYR 83 Ca 0.03 0.54 -0.15 0.00 -0.37 0.00 0.00 57.07 57.12 2e5n s TYR 83 Cb 0.07 -3.12 0.19 0.00 -0.40 0.00 0.00 41.96 38.70 2e5n s TYR 83 CO 0.74 -0.57 1.17 -1.12 -1.57 0.00 0.00 175.55 174.21 2e5n s SER 84 N 1.71 2.82 0.59 2.29 0.01 -1.26 -4.34 113.70 115.52 2e5n s SER 84 Ca 0.27 0.74 0.30 0.00 1.31 0.00 0.00 55.95 58.57 2e5n s SER 84 Cb -0.14 -1.13 1.03 0.00 0.21 0.00 0.00 66.02 65.99 2e5n s SER 84 CO 0.13 -2.96 1.32 1.21 0.41 0.00 0.00 173.24 173.36 2e5n n GLU 85 N -4.00 0.01 -0.04 12.44 2.13 -1.26 -1.35 120.64 128.57 2e5n n GLU 85 Ca 0.10 1.02 -0.04 0.00 0.66 0.00 0.00 57.16 58.91 2e5n n GLU 85 Cb 0.59 -2.51 -0.01 0.00 0.27 0.00 0.00 31.44 29.78 2e5n n GLU 85 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 2e5n n ILE 86 N -3.33 0.85 -0.27 6.31 -0.00 -1.26 -4.23 119.36 117.43 2e5n n ILE 86 Ca 0.26 0.32 0.00 0.00 -0.00 0.00 0.00 62.75 63.33 2e5n n ILE 86 Cb 1.60 -2.02 0.04 0.00 -0.00 0.00 0.00 39.64 39.26 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 -3.64 -0.42 -0.19 4.38 9.92 -0.46 0.96 116.55 127.10 2e5n n ASP 87 Ca -0.05 1.22 -0.05 0.00 -0.53 0.00 0.00 54.79 55.37 2e5n n ASP 87 Cb 0.20 -0.29 0.01 0.00 -0.64 0.00 0.00 41.12 40.40 2e5n n ASP 87 CO 0.00 0.00 0.00 0.03 0.13 0.00 0.00 177.20 177.36 2e5n h ARG 88 N 0.00 -0.16 0.00 -1.24 3.08 -1.52 0.90 114.38 115.44 2e5n h ARG 88 Ca 0.26 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.30 2e5n h ARG 88 Cb 0.43 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.52 2e5n h ARG 88 CO -0.70 -0.11 -0.09 0.07 -1.07 0.00 0.00 179.97 178.08 2e5n h ARG 89 N -0.16 0.00 0.00 0.04 0.11 0.42 -1.17 114.38 113.62 2e5n h ARG 89 Ca 0.23 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.30 2e5n h ARG 89 Cb 0.54 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.62 2e5n h ARG 89 CO -0.65 0.09 -0.40 0.77 0.10 0.00 0.00 179.97 179.88 2e5n h SER 90 N 0.00 0.00 0.06 0.08 0.02 0.30 -3.36 113.55 110.65 2e5n h SER 90 Ca -0.00 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.62 2e5n h SER 90 Cb 0.57 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.08 2e5n h SER 90 CO 0.01 0.02 -1.85 -0.11 -1.14 0.00 0.00 176.83 173.76 2e5n n LEU 91 N -2.95 2.34 -0.04 5.07 0.00 0.26 -4.11 117.00 117.57 2e5n n LEU 91 Ca 0.02 0.26 0.23 0.00 0.00 0.00 0.00 56.01 56.52 2e5n n LEU 91 Cb 0.55 -1.02 0.57 0.00 0.00 0.00 0.00 43.42 43.52 2e5n n LEU 91 CO 0.36 0.64 1.21 1.05 0.00 0.00 0.00 177.39 180.66 2e5n h GLU 92 N -0.41 0.00 0.24 1.96 4.11 -1.37 0.09 114.58 119.21 2e5n h GLU 92 Ca -0.44 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 58.98 2e5n h GLU 92 Cb 1.73 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.98 2e5n h GLU 92 CO -0.08 0.00 -0.12 1.03 0.07 0.00 0.00 179.01 179.91 2e5n h SER 93 N 0.00 -0.27 -0.75 3.06 0.87 -1.71 -2.85 113.55 111.89 2e5n h SER 93 Ca 0.33 -0.12 0.15 0.00 -1.23 0.00 0.00 61.79 60.91 2e5n h SER 93 Cb 2.03 0.07 -0.14 0.00 -0.44 0.00 0.00 62.40 63.92 2e5n h SER 93 CO -0.00 0.23 -0.20 0.58 -0.53 0.00 0.00 176.83 176.90 2e5n h VAL 94 N -1.03 0.24 -0.32 2.23 2.07 -1.15 0.66 116.25 118.96 2e5n h VAL 94 Ca -0.03 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 2e5n h VAL 94 Cb 0.38 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 2e5n h VAL 94 CO 0.05 0.00 0.15 -0.07 0.02 0.00 0.00 177.57 177.72 2e5n h LEU 95 N -0.01 0.38 -0.86 2.57 3.38 -1.60 0.14 115.31 119.32 2e5n h LEU 95 Ca 0.36 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 58.20 2e5n h LEU 95 Cb 0.55 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2e5n h LEU 95 CO -0.78 0.33 -0.24 -1.28 0.09 0.00 0.00 178.44 176.57 2e5n h SER 96 N 0.44 0.58 0.44 -0.43 0.87 0.52 0.26 113.55 116.23 2e5n h SER 96 Ca 0.11 -0.20 -0.31 0.00 -1.23 0.00 0.00 61.79 60.16 2e5n h SER 96 Cb 0.05 -0.16 0.01 0.00 -0.44 0.00 0.00 62.40 61.87 2e5n h SER 96 CO -0.02 0.81 -1.42 0.03 -0.53 0.00 0.00 176.83 175.71 2e5n h ARG 97 N 0.51 0.36 0.01 2.24 3.08 -0.33 -3.40 114.38 116.84 2e5n h ARG 97 Ca 0.07 -0.62 -0.00 0.00 0.07 0.00 0.00 59.98 59.50 2e5n h ARG 97 Cb 0.69 0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.97 2e5n h ARG 97 CO 0.05 1.28 -0.01 0.87 -1.07 0.00 0.00 179.97 181.09 2e5n h LYS 98 N 0.10 -0.02 -5.94 0.04 1.79 -0.67 -3.42 116.57 108.45 2e5n h LYS 98 Ca -0.21 0.00 -0.50 0.00 -2.18 0.00 0.00 60.65 57.75 2e5n h LYS 98 Cb 2.06 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 32.69 2e5n h LYS 98 CO 0.22 -0.01 1.41 -0.51 -1.08 0.00 0.00 179.45 179.48 2e5n s LEU 99 N -4.46 3.35 0.00 2.94 1.43 0.89 -5.07 118.68 117.76 2e5n s LEU 99 Ca -0.00 0.69 0.21 0.00 -1.03 0.00 0.00 54.13 54.00 2e5n s LEU 99 Cb 0.00 -2.69 0.17 0.00 0.03 0.00 0.00 46.19 43.69 2e5n s LEU 99 CO 0.01 -2.38 1.17 -3.20 0.23 0.00 0.00 176.35 172.17