#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e5n s SER 2 N 0.00 1.00 -0.17 1.61 0.01 -1.26 -5.08 113.70 109.80 2e5n s SER 2 Ca 0.00 -1.47 -0.09 0.00 1.31 0.00 0.00 55.95 55.70 2e5n s SER 2 Cb 0.00 0.34 -0.22 0.00 0.21 0.00 0.00 66.02 66.34 2e5n s SER 2 CO 0.00 -0.84 0.18 -0.24 0.41 0.00 0.00 173.24 172.75 2e5n n SER 3 N -0.63 2.03 0.00 2.44 2.88 -1.26 -5.09 113.62 113.99 2e5n n SER 3 Ca 0.02 0.22 0.00 0.00 -1.33 0.00 0.00 58.87 57.77 2e5n n SER 3 Cb 0.65 -0.82 0.00 0.00 -0.75 0.00 0.00 64.21 63.30 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 1.85 2.45 3.81 0.46 0.00 -1.26 -5.09 105.19 107.40 2e5n n GLY 4 Ca -0.36 -1.09 -0.34 0.00 0.00 0.00 0.00 46.02 44.24 2e5n n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2e5n s SER 5 N 0.00 6.95 0.08 1.61 0.01 -1.26 -5.07 113.70 116.02 2e5n s SER 5 Ca 0.00 1.74 0.04 0.00 1.31 0.00 0.00 55.95 59.04 2e5n s SER 5 Cb 0.00 -2.55 -0.04 0.00 0.21 0.00 0.00 66.02 63.64 2e5n s SER 5 CO 0.00 -0.35 0.01 -0.55 0.41 0.00 0.00 173.24 172.76 2e5n s SER 6 N -2.06 5.11 -1.11 2.44 0.15 -1.26 -5.06 113.70 111.91 2e5n s SER 6 Ca 0.61 -0.13 -0.08 0.00 0.70 0.00 0.00 55.95 57.05 2e5n s SER 6 Cb -0.11 -1.26 0.28 0.00 -1.71 0.00 0.00 66.02 63.22 2e5n s SER 6 CO 0.15 0.19 1.25 0.61 1.20 0.00 0.00 173.24 176.64 2e5n n GLY 7 N 0.64 4.48 3.97 9.45 0.00 -1.26 -5.02 105.19 117.46 2e5n n GLY 7 Ca -0.11 -2.58 -0.20 0.00 0.00 0.00 0.00 46.02 43.13 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 -1.62 4.49 -0.04 2.61 -4.23 -1.26 -4.93 115.64 110.67 2e5n s THR 8 Ca 0.32 -1.03 -0.01 0.00 -1.18 0.00 0.00 61.69 59.78 2e5n s THR 8 Cb -0.05 -3.56 -0.26 0.00 1.34 0.00 0.00 72.50 69.97 2e5n s THR 8 CO -0.02 -0.23 0.68 0.40 -0.54 0.00 0.00 174.62 174.91 2e5n h ILE 9 N 1.04 0.94 0.50 2.99 1.08 -1.95 -3.38 117.51 118.74 2e5n h ILE 9 Ca -0.48 -2.65 -0.01 0.00 -0.39 0.00 0.00 64.86 61.33 2e5n h ILE 9 Cb 1.25 2.62 -0.02 0.00 -3.07 0.00 0.00 36.82 37.60 2e5n h ILE 9 CO 0.56 0.77 -0.45 -1.28 -0.69 0.00 0.00 178.15 177.06 2e5n h SER 10 N 0.06 -1.23 -1.36 1.72 0.87 -1.96 -1.82 113.55 109.83 2e5n h SER 10 Ca -0.30 0.10 0.44 0.00 -1.23 0.00 0.00 61.79 60.80 2e5n h SER 10 Cb 2.02 0.40 -0.12 0.00 -0.44 0.00 0.00 62.40 64.26 2e5n h SER 10 CO 0.12 -0.63 0.89 1.56 -0.53 0.00 0.00 176.83 178.25 2e5n h GLN 11 N -0.95 0.08 -7.03 2.24 4.20 -1.99 -3.40 115.11 108.26 2e5n h GLN 11 Ca -0.06 -0.00 -0.51 0.00 0.06 0.00 0.00 58.65 58.14 2e5n h GLN 11 Cb 0.82 -0.02 0.07 0.00 0.30 0.00 0.00 27.48 28.65 2e5n h GLN 11 CO -0.04 0.05 0.47 1.03 -0.67 0.00 0.00 178.83 179.68 2e5n s ARG 12 N -5.26 3.63 0.46 1.46 1.81 -0.69 -5.00 118.95 115.37 2e5n s ARG 12 Ca -0.07 1.75 -0.23 0.00 -1.72 0.00 0.00 55.73 55.46 2e5n s ARG 12 Cb 0.29 -2.30 -0.07 0.00 -0.45 0.00 0.00 34.95 32.43 2e5n s ARG 12 CO 0.83 -0.65 1.16 -1.25 -0.68 0.00 0.00 175.30 174.71 2e5n s PRO 13 N -2.86 3.74 0.09 3.54 0.04 -1.26 -4.87 135.00 133.42 2e5n s PRO 13 Ca 0.66 1.77 -0.19 0.00 0.04 0.00 0.00 61.00 63.28 2e5n s PRO 13 Cb -0.28 -2.39 -0.05 0.00 0.04 0.00 0.00 34.50 31.82 2e5n s PRO 13 CO 0.33 -0.56 1.32 -0.92 0.04 0.00 0.00 177.00 177.21 2e5n h TYR 14 N 2.02 -1.07 -0.49 0.56 3.20 -1.93 -1.87 116.97 117.38 2e5n h TYR 14 Ca -0.49 0.06 0.04 0.00 3.14 0.00 0.00 58.73 61.48 2e5n h TYR 14 Cb 1.25 0.52 -0.06 0.00 1.54 0.00 0.00 36.73 39.98 2e5n h TYR 14 CO 0.53 -0.25 -0.29 -2.13 -1.64 0.00 0.00 178.16 174.38 2e5n n ARG 15 N -4.31 -0.22 -0.27 1.82 0.63 -1.26 -0.16 116.66 112.90 2e5n n ARG 15 Ca -0.00 1.04 -0.07 0.00 -0.92 0.00 0.00 57.85 57.89 2e5n n ARG 15 Cb 0.18 -1.54 -0.03 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 -1.57 -0.78 6.15 3.32 -1.74 0.80 116.42 122.60 2e5n h ASP 16 Ca 0.08 0.27 0.18 0.00 0.02 0.00 0.00 57.03 57.57 2e5n h ASP 16 Cb 0.20 0.73 -0.05 0.00 0.22 0.00 0.00 39.33 40.43 2e5n h ASP 16 CO -0.46 -0.31 0.53 0.03 -1.72 0.00 0.00 179.24 177.30 2e5n h ARG 17 N -0.15 0.32 0.15 3.56 3.08 -0.01 0.20 114.38 121.53 2e5n h ARG 17 Ca 0.21 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.23 2e5n h ARG 17 Cb 0.55 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.53 2e5n h ARG 17 CO -0.78 0.21 -0.07 0.28 -1.07 0.00 0.00 179.97 178.53 2e5n h VAL 18 N 0.33 0.00 -1.00 2.04 2.07 0.24 -3.13 116.25 116.78 2e5n h VAL 18 Ca 0.39 -0.45 0.21 0.00 0.82 0.00 0.00 66.70 67.67 2e5n h VAL 18 Cb 1.04 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.70 2e5n h VAL 18 CO -0.11 0.00 0.61 0.16 0.02 0.00 0.00 177.57 178.25 2e5n h ILE 19 N -0.66 0.64 0.00 4.57 3.07 -0.29 0.67 117.51 125.51 2e5n h ILE 19 Ca -0.02 -0.23 -0.01 0.00 1.55 0.00 0.00 64.86 66.15 2e5n h ILE 19 Cb 0.16 -0.08 -0.00 0.00 -0.27 0.00 0.00 36.82 36.63 2e5n h ILE 19 CO 0.03 0.12 -0.05 0.45 -1.05 0.00 0.00 178.15 177.66 2e5n h HIS 20 N 0.66 0.00 0.08 0.16 3.86 -0.71 0.89 115.15 120.10 2e5n h HIS 20 Ca 0.60 0.00 -0.31 0.00 -1.16 0.00 0.00 60.37 59.50 2e5n h HIS 20 Cb 1.07 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.52 2e5n h HIS 20 CO -0.00 0.05 -1.67 -0.07 0.86 0.00 0.00 177.93 177.09 2e5n h LEU 21 N 0.00 0.27 -1.44 2.43 3.38 0.31 -3.37 115.31 116.89 2e5n h LEU 21 Ca -0.00 -0.78 -0.06 0.00 0.09 0.00 0.00 57.88 57.13 2e5n h LEU 21 Cb 0.13 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2e5n h LEU 21 CO 0.01 1.70 -0.26 -0.07 0.09 0.00 0.00 178.44 179.91 2e5n h LEU 22 N -0.36 0.03 -0.02 1.67 3.38 -0.72 -3.18 115.31 116.11 2e5n h LEU 22 Ca -0.39 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.60 2e5n h LEU 22 Cb 1.74 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 42.44 2e5n h LEU 22 CO -0.02 0.29 -0.48 0.00 0.09 0.00 0.00 178.44 178.32 2e5n h ALA 23 N 1.71 -0.89 -0.76 1.53 0.00 -0.98 -1.85 119.26 118.02 2e5n h ALA 23 Ca 0.00 -0.07 0.17 0.00 0.00 0.00 0.00 54.91 55.01 2e5n h ALA 23 Cb 0.48 0.91 -0.13 0.00 0.00 0.00 0.00 17.79 19.05 2e5n h ALA 23 CO 0.03 -1.04 0.03 -0.07 0.00 0.00 0.00 179.25 178.20 2e5n h LEU 24 N -0.59 -0.31 -7.81 0.00 3.38 -1.74 -3.45 115.31 104.80 2e5n h LEU 24 Ca 0.01 0.19 0.13 0.00 0.09 0.00 0.00 57.88 58.30 2e5n h LEU 24 Cb 0.64 0.33 -0.07 0.00 0.09 0.00 0.00 40.66 41.65 2e5n h LEU 24 CO -0.33 -0.17 0.37 -1.59 0.09 0.00 0.00 178.44 176.81 2e5n s LYS 25 N -6.10 1.46 0.27 1.13 -2.85 -0.69 -5.04 119.74 107.91 2e5n s LYS 25 Ca -0.13 -0.81 -0.29 0.00 -1.00 0.00 0.00 55.97 53.74 2e5n s LYS 25 Cb 0.22 0.50 -0.09 0.00 -2.06 0.00 0.00 37.83 36.40 2e5n s LYS 25 CO 0.75 -0.67 1.21 0.00 0.10 0.00 0.00 175.35 176.74 2e5n s ALA 26 N -3.57 3.46 0.15 0.59 0.00 -1.25 -4.12 121.76 117.01 2e5n s ALA 26 Ca 0.12 1.05 0.07 0.00 0.00 0.00 0.00 51.96 53.19 2e5n s ALA 26 Cb -0.03 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.64 2e5n s ALA 26 CO 0.04 -0.39 -0.15 0.71 0.00 0.00 0.00 175.76 175.97 2e5n s TYR 27 N -0.82 1.55 0.09 0.00 1.51 -0.69 -4.88 117.35 114.13 2e5n s TYR 27 Ca 0.49 -0.55 -0.03 0.00 -1.01 0.00 0.00 57.07 55.97 2e5n s TYR 27 Cb -0.35 -0.78 -0.05 0.00 -0.11 0.00 0.00 41.96 40.67 2e5n s TYR 27 CO 0.44 0.22 0.29 0.15 -1.11 0.00 0.00 175.55 175.54 2e5n s LYS 28 N -2.93 3.53 0.20 -0.62 3.01 -1.26 0.16 119.74 121.84 2e5n s LYS 28 Ca 0.13 -0.26 -0.15 0.00 -1.01 0.00 0.00 55.97 54.69 2e5n s LYS 28 Cb -0.04 -2.96 0.21 0.00 -1.01 0.00 0.00 37.83 34.04 2e5n s LYS 28 CO 0.04 0.55 1.36 1.17 0.51 0.00 0.00 175.35 178.98 2e5n n LYS 29 N 0.27 -0.20 0.02 1.68 3.00 -1.26 0.69 118.16 122.35 2e5n n LYS 29 Ca -0.04 1.35 -0.13 0.00 -0.00 0.00 0.00 58.31 59.49 2e5n n LYS 29 Cb 0.51 -2.00 -0.09 0.00 0.00 0.00 0.00 35.03 33.45 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 -0.07 0.33 1.64 0.13 -1.96 -3.20 132.00 128.86 2e5n h PRO 30 Ca 0.31 0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.43 2e5n h PRO 30 Cb 0.52 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.66 2e5n h PRO 30 CO -0.87 0.39 -0.30 1.49 -0.23 0.00 0.00 178.00 178.47 2e5n h GLU 31 N -0.57 -0.60 -0.81 0.86 4.81 -1.48 -2.40 114.58 114.40 2e5n h GLU 31 Ca -0.01 0.04 0.27 0.00 -0.13 0.00 0.00 59.36 59.53 2e5n h GLU 31 Cb 0.49 0.14 -0.15 0.00 0.63 0.00 0.00 28.75 29.86 2e5n h GLU 31 CO 0.01 -0.40 0.17 -0.11 -0.73 0.00 0.00 179.01 177.96 2e5n n LEU 32 N -4.20 0.04 0.35 1.64 0.00 0.22 0.53 117.00 115.58 2e5n n LEU 32 Ca -0.07 1.37 -0.17 0.00 0.00 0.00 0.00 56.01 57.13 2e5n n LEU 32 Cb 0.28 -0.56 -0.09 0.00 0.00 0.00 0.00 43.42 43.05 2e5n n LEU 32 CO 0.16 -1.44 0.65 -0.07 0.00 0.00 0.00 177.39 176.69 2e5n h LEU 33 N 0.00 -0.72 -1.32 -1.96 3.38 -1.44 -2.30 115.31 110.95 2e5n h LEU 33 Ca 0.57 0.02 0.38 0.00 0.09 0.00 0.00 57.88 58.94 2e5n h LEU 33 Cb 1.31 0.19 -0.05 0.00 0.09 0.00 0.00 40.66 42.20 2e5n h LEU 33 CO -0.71 -0.50 1.18 0.00 0.09 0.00 0.00 178.44 178.49 2e5n n ALA 34 N -2.47 1.27 -0.05 1.53 0.00 0.19 0.14 120.51 121.12 2e5n n ALA 34 Ca -0.13 0.44 -0.17 0.00 0.00 0.00 0.00 53.44 53.57 2e5n n ALA 34 Cb 0.35 -0.76 -0.13 0.00 0.00 0.00 0.00 19.45 18.91 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 0.07 0.12 0.00 2.47 -1.30 -3.35 114.38 112.39 2e5n h ARG 35 Ca 0.63 -0.11 -0.01 0.00 -1.26 0.00 0.00 59.98 59.23 2e5n h ARG 35 Cb 2.98 0.04 0.00 0.00 -1.65 0.00 0.00 29.97 31.34 2e5n h ARG 35 CO -0.01 1.05 -0.06 -0.07 0.56 0.00 0.00 179.97 181.45 2e5n h LEU 36 N -0.84 -0.14 -1.48 3.04 3.38 0.15 -3.19 115.31 116.23 2e5n h LEU 36 Ca -0.13 -0.42 0.43 0.00 0.09 0.00 0.00 57.88 57.85 2e5n h LEU 36 Cb 1.23 0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.96 2e5n h LEU 36 CO -0.02 0.45 1.25 0.00 0.09 0.00 0.00 178.44 180.21 2e5n n GLN 37 N -4.88 0.01 0.12 1.13 1.13 0.21 0.98 117.38 116.08 2e5n n GLN 37 Ca -0.08 0.99 -0.13 0.00 -1.94 0.00 0.00 57.00 55.83 2e5n n GLN 37 Cb 0.28 -2.35 -0.08 0.00 0.11 0.00 0.00 30.24 28.20 2e5n n GLN 37 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 2e5n h LYS 38 N 0.00 -0.29 0.00 -1.09 1.57 -1.68 -2.77 116.57 112.31 2e5n h LYS 38 Ca 0.70 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.50 2e5n h LYS 38 Cb 3.21 0.07 0.00 0.00 0.08 0.00 0.00 32.23 35.58 2e5n h LYS 38 CO -0.01 -0.01 0.00 0.22 -0.57 0.00 0.00 179.45 179.08 2e5n h ASP 39 N -0.56 0.00 0.00 0.86 1.82 0.48 -3.46 116.42 115.56 2e5n h ASP 39 Ca -0.03 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.61 2e5n h ASP 39 Cb 0.41 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.42 2e5n h ASP 39 CO 0.05 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.29 2e5n n GLY 40 N -0.12 2.19 3.74 -0.78 0.00 -0.77 -4.91 105.19 104.53 2e5n n GLY 40 Ca 0.01 -0.77 -0.31 0.00 0.00 0.00 0.00 46.02 44.96 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 4.33 -0.17 1.61 1.01 -1.25 -4.83 120.40 121.10 2e5n s VAL 41 Ca 0.00 -0.82 -0.13 0.00 0.00 0.00 0.00 61.98 61.03 2e5n s VAL 41 Cb 0.00 -3.07 -0.05 0.00 0.00 0.00 0.00 36.38 33.27 2e5n s VAL 41 CO 0.00 0.15 0.26 0.20 0.00 0.00 0.00 175.10 175.71 2e5n s ASN 42 N -2.29 6.39 0.31 3.32 0.01 -1.26 -4.98 114.94 116.46 2e5n s ASN 42 Ca 0.27 0.46 0.06 0.00 -0.71 0.00 0.00 52.86 52.94 2e5n s ASN 42 Cb -0.12 -2.16 0.74 0.00 0.41 0.00 0.00 41.25 40.12 2e5n s ASN 42 CO 0.20 0.12 1.80 0.06 -1.51 0.00 0.00 177.10 177.77 2e5n h GLN 43 N 6.62 0.75 -0.10 -0.60 3.07 -1.99 0.33 115.11 123.20 2e5n h GLN 43 Ca -0.41 -0.05 -0.04 0.00 0.09 0.00 0.00 58.65 58.24 2e5n h GLN 43 Cb 1.16 -0.17 -0.01 0.00 0.08 0.00 0.00 27.48 28.54 2e5n h GLN 43 CO 0.75 0.50 -0.14 1.57 0.09 0.00 0.00 178.83 181.60 2e5n h LYS 44 N 0.78 0.15 0.07 0.06 2.10 -2.03 -2.67 116.57 115.03 2e5n h LYS 44 Ca 0.54 -0.03 -0.28 0.00 -2.00 0.00 0.00 60.65 58.88 2e5n h LYS 44 Cb 0.83 -0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 32.12 2e5n h LYS 44 CO -0.32 0.31 -1.41 -0.44 -2.00 0.00 0.00 179.45 175.58 2e5n h ASP 45 N 0.15 0.22 -1.00 7.07 3.32 -0.93 -3.32 116.42 121.94 2e5n h ASP 45 Ca 0.03 -0.30 0.34 0.00 0.02 0.00 0.00 57.03 57.12 2e5n h ASP 45 Cb 0.35 -0.07 -0.16 0.00 0.22 0.00 0.00 39.33 39.67 2e5n h ASP 45 CO 0.02 1.25 0.54 0.11 -1.72 0.00 0.00 179.24 179.44 2e5n h LYS 46 N 0.04 0.23 0.08 3.56 1.57 -0.22 0.58 116.57 122.40 2e5n h LYS 46 Ca -0.18 -0.01 -0.28 0.00 -1.87 0.00 0.00 60.65 58.30 2e5n h LYS 46 Cb 1.95 -0.05 0.03 0.00 0.08 0.00 0.00 32.23 34.23 2e5n h LYS 46 CO 0.14 0.15 -1.15 -0.91 -0.57 0.00 0.00 179.45 177.12 2e5n h ASN 47 N 0.24 0.88 0.27 0.86 2.35 -1.68 -3.24 115.58 115.27 2e5n h ASN 47 Ca 0.75 -0.79 -0.04 0.00 -0.55 0.00 0.00 56.30 55.66 2e5n h ASN 47 Cb 1.77 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 39.86 2e5n h ASN 47 CO -0.65 1.57 -0.21 0.77 -1.65 0.00 0.00 177.43 177.26 2e5n h SER 48 N 0.30 0.00 -0.46 5.81 4.64 -0.25 -3.17 113.55 120.41 2e5n h SER 48 Ca -0.17 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.21 2e5n h SER 48 Cb 1.82 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.83 2e5n h SER 48 CO 0.22 0.21 -0.53 0.25 -0.87 0.00 0.00 176.83 176.12 2e5n h LEU 49 N 0.00 -1.79 -0.98 5.97 6.46 -0.14 0.14 115.31 124.97 2e5n h LEU 49 Ca -0.00 0.24 0.32 0.00 -0.12 0.00 0.00 57.88 58.32 2e5n h LEU 49 Cb 0.41 0.74 -0.15 0.00 -0.73 0.00 0.00 40.66 40.92 2e5n h LEU 49 CO 0.03 -0.36 0.50 1.23 -0.62 0.00 0.00 178.44 179.22 2e5n h GLY 50 N -0.32 1.97 0.83 3.75 0.00 -1.73 0.29 103.07 107.86 2e5n h GLY 50 Ca 0.08 -0.18 -0.04 0.00 0.00 0.00 0.00 47.33 47.19 2e5n h GLY 50 CO -0.60 -0.52 -0.02 0.00 0.00 0.00 0.00 176.54 175.39 2e5n h ALA 51 N 1.87 0.31 -0.07 3.60 0.00 -0.94 -3.21 119.26 120.82 2e5n h ALA 51 Ca 0.72 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.40 2e5n h ALA 51 Cb 1.66 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.37 2e5n h ALA 51 CO -0.65 0.05 0.04 0.82 0.00 0.00 0.00 179.25 179.52 2e5n h ILE 52 N 0.17 1.04 -1.43 0.00 2.04 0.73 -1.85 117.51 118.19 2e5n h ILE 52 Ca 0.06 -0.10 0.43 0.00 1.00 0.00 0.00 64.86 66.26 2e5n h ILE 52 Cb 0.44 0.99 -0.09 0.00 -0.74 0.00 0.00 36.82 37.42 2e5n h ILE 52 CO 0.02 0.03 0.98 -0.07 0.00 0.00 0.00 178.15 179.11 2e5n h LEU 53 N 0.06 0.15 0.00 1.44 3.38 -0.96 1.84 115.31 121.23 2e5n h LEU 53 Ca 0.02 0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 2e5n h LEU 53 Cb 0.02 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 2e5n h LEU 53 CO -0.00 -0.06 -1.16 1.56 0.09 0.00 0.00 178.44 178.87 2e5n h GLN 54 N 0.08 0.00 0.00 1.13 4.20 -1.43 1.04 115.11 120.13 2e5n h GLN 54 Ca 0.77 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 59.40 2e5n h GLN 54 Cb 2.70 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 30.47 2e5n h GLN 54 CO -0.20 0.21 -0.37 1.96 -0.67 0.00 0.00 178.83 179.76 2e5n h GLN 55 N 0.00 0.00 0.00 1.46 4.20 0.34 -3.37 115.11 117.75 2e5n h GLN 55 Ca -0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.62 2e5n h GLN 55 Cb 1.36 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.14 2e5n h GLN 55 CO 0.03 0.37 -0.78 1.33 -0.67 0.00 0.00 178.83 179.11 2e5n n VAL 56 N -3.20 0.00 -4.62 -0.54 0.24 0.93 -5.05 118.33 106.08 2e5n n VAL 56 Ca 0.02 0.00 -0.29 0.00 -2.04 0.00 0.00 64.34 62.04 2e5n n VAL 56 Cb 0.67 0.03 -0.08 0.00 -1.47 0.00 0.00 33.84 33.00 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 -1.63 3.42 -0.06 2.33 0.00 0.36 0.07 121.76 126.25 2e5n s ALA 57 Ca 0.00 -0.96 0.02 0.00 0.00 0.00 0.00 51.96 51.02 2e5n s ALA 57 Cb 0.00 0.41 0.01 0.00 0.00 0.00 0.00 23.12 23.54 2e5n s ALA 57 CO 0.00 -0.19 -0.11 -0.80 0.00 0.00 0.00 175.76 174.66 2e5n s ASN 58 N -3.72 1.63 0.19 0.00 0.01 0.17 -3.56 114.94 109.65 2e5n s ASN 58 Ca 0.17 -0.27 -0.30 0.00 -0.71 0.00 0.00 52.86 51.75 2e5n s ASN 58 Cb 0.03 -0.76 -0.08 0.00 0.41 0.00 0.00 41.25 40.85 2e5n s ASN 58 CO 0.10 0.02 0.99 -0.22 -1.51 0.00 0.00 177.10 176.48 2e5n s LEU 59 N 0.69 4.56 -0.45 0.60 0.20 -1.26 -0.28 118.68 122.74 2e5n s LEU 59 Ca -0.14 1.96 0.02 0.00 0.69 0.00 0.00 54.13 56.65 2e5n s LEU 59 Cb -0.16 -3.60 0.12 0.00 -0.43 0.00 0.00 46.19 42.12 2e5n s LEU 59 CO 0.03 -0.01 0.20 0.21 -0.29 0.00 0.00 176.35 176.49 2e5n s ASN 60 N -0.56 4.80 0.45 3.68 3.84 -0.11 -4.96 114.94 122.07 2e5n s ASN 60 Ca 0.45 -2.50 0.34 0.00 0.21 0.00 0.00 52.86 51.36 2e5n s ASN 60 Cb -0.26 -1.71 1.49 0.00 -0.55 0.00 0.00 41.25 40.23 2e5n s ASN 60 CO 0.33 -0.36 1.53 -1.20 -2.79 0.00 0.00 177.10 174.60 2e5n n SER 61 N 3.85 0.18 -0.06 -4.21 7.64 -1.26 0.13 113.62 119.88 2e5n n SER 61 Ca 0.04 1.30 -0.02 0.00 1.01 0.00 0.00 58.87 61.20 2e5n n SER 61 Cb 0.38 -0.64 -0.02 0.00 -1.01 0.00 0.00 64.21 62.93 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 -0.01 -0.12 1.43 3.64 -1.95 -2.96 116.57 116.60 2e5n h LYS 62 Ca 0.87 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 60.20 2e5n h LYS 62 Cb 2.91 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 34.70 2e5n h LYS 62 CO -0.39 -0.01 -0.26 -3.47 -2.27 0.00 0.00 179.45 173.05 2e5n n ASP 63 N -3.31 2.19 -4.46 4.20 2.03 -0.48 -4.96 116.55 111.76 2e5n n ASP 63 Ca 0.00 -3.67 -0.41 0.00 0.52 0.00 0.00 54.79 51.23 2e5n n ASP 63 Cb 0.04 -0.54 -0.08 0.00 -0.72 0.00 0.00 41.12 39.82 2e5n n ASP 63 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2e5n n LEU 64 N -1.13 -0.81 -4.62 -2.67 4.77 0.12 -4.89 117.00 107.76 2e5n n LEU 64 Ca 0.23 -1.22 -0.32 0.00 -0.03 0.00 0.00 56.01 54.67 2e5n n LEU 64 Cb 0.80 -1.56 -0.10 0.00 -2.33 0.00 0.00 43.42 40.23 2e5n n LEU 64 CO 0.05 0.11 -0.37 -0.94 -1.33 0.00 0.00 177.39 174.91 2e5n s SER 65 N -3.23 4.75 -0.24 -1.43 1.04 -1.20 -4.59 113.70 108.80 2e5n s SER 65 Ca 0.79 -0.14 -0.15 0.00 0.48 0.00 0.00 55.95 56.93 2e5n s SER 65 Cb -0.46 -1.13 -0.04 0.00 0.10 0.00 0.00 66.02 64.49 2e5n s SER 65 CO 1.00 0.26 0.35 -0.31 0.98 0.00 0.00 173.24 175.53 2e5n s TYR 66 N -1.06 3.30 -0.22 5.02 2.02 0.12 -0.94 117.35 125.60 2e5n s TYR 66 Ca 0.19 0.46 -0.08 0.00 -0.37 0.00 0.00 57.07 57.27 2e5n s TYR 66 Cb -0.11 -2.51 -0.04 0.00 -0.40 0.00 0.00 41.96 38.90 2e5n s TYR 66 CO 0.09 -0.10 0.07 0.95 -1.57 0.00 0.00 175.55 174.99 2e5n s THR 67 N 1.64 4.59 0.16 -0.71 -4.23 0.62 -1.70 115.64 116.00 2e5n s THR 67 Ca 0.15 -0.09 -0.33 0.00 -1.18 0.00 0.00 61.69 60.25 2e5n s THR 67 Cb -0.15 -3.11 -0.12 0.00 1.34 0.00 0.00 72.50 70.46 2e5n s THR 67 CO 0.08 0.39 1.71 -0.11 -0.54 0.00 0.00 174.62 176.15 2e5n n LEU 68 N 4.29 3.68 0.00 4.79 0.00 -1.26 0.42 117.00 128.92 2e5n n LEU 68 Ca -0.16 1.05 -0.15 0.00 0.00 0.00 0.00 56.01 56.75 2e5n n LEU 68 Cb 0.52 -1.51 0.15 0.00 0.00 0.00 0.00 43.42 42.58 2e5n n LEU 68 CO 0.33 0.01 0.17 0.29 0.00 0.00 0.00 177.39 178.19 2e5n n LYS 69 N 4.30 -1.66 -0.09 1.96 5.02 0.11 -4.86 118.16 122.94 2e5n n LYS 69 Ca 0.17 -0.72 -0.18 0.00 -2.02 0.00 0.00 58.31 55.56 2e5n n LYS 69 Cb 0.33 -1.33 -0.13 0.00 -0.02 0.00 0.00 35.03 33.88 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 -1.89 1.92 -0.15 4.39 -0.08 -1.26 -4.33 116.55 115.15 2e5n n ASP 70 Ca 0.07 -0.03 -0.11 0.00 -1.51 0.00 0.00 54.79 53.21 2e5n n ASP 70 Cb 0.30 -0.47 -0.01 0.00 2.34 0.00 0.00 41.12 43.28 2e5n n ASP 70 CO 0.00 0.00 0.00 0.10 0.12 0.00 0.00 177.20 177.42 2e5n h TYR 71 N 0.02 0.92 -0.87 -0.67 -0.00 -1.94 -2.86 116.97 111.56 2e5n h TYR 71 Ca -0.53 -0.19 0.22 0.00 -0.00 0.00 0.00 58.73 58.22 2e5n h TYR 71 Cb 1.95 -0.23 -0.05 0.00 -0.00 0.00 0.00 36.73 38.40 2e5n h TYR 71 CO 0.04 0.93 0.59 0.28 -0.00 0.00 0.00 178.16 180.00 2e5n h VAL 72 N 0.65 0.64 -1.11 -0.90 2.07 -1.88 0.38 116.25 116.10 2e5n h VAL 72 Ca 0.11 -0.08 0.31 0.00 0.82 0.00 0.00 66.70 67.86 2e5n h VAL 72 Cb 0.62 0.38 -0.07 0.00 -1.52 0.00 0.00 31.29 30.70 2e5n h VAL 72 CO 0.04 0.04 0.77 -0.26 0.02 0.00 0.00 177.57 178.18 2e5n h PHE 73 N 0.24 0.29 -0.01 1.57 0.04 -1.70 0.85 116.94 118.23 2e5n h PHE 73 Ca 0.44 0.01 -0.15 0.00 2.80 0.00 0.00 57.97 61.07 2e5n h PHE 73 Cb 1.34 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 39.38 2e5n h PHE 73 CO -0.00 0.02 -0.70 1.57 -0.60 0.00 0.00 178.31 178.59 2e5n h LYS 74 N 0.17 0.05 0.00 1.51 2.10 -1.09 -3.03 116.57 116.26 2e5n h LYS 74 Ca 0.58 -0.04 -0.08 0.00 -2.00 0.00 0.00 60.65 59.11 2e5n h LYS 74 Cb 1.93 0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 33.26 2e5n h LYS 74 CO -0.14 0.73 -0.36 0.93 -2.00 0.00 0.00 179.45 178.61 2e5n h GLU 75 N 0.03 0.00 -6.11 0.07 5.08 0.61 -3.45 114.58 110.81 2e5n h GLU 75 Ca -0.01 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.11 2e5n h GLU 75 Cb 1.24 0.00 0.14 0.00 0.50 0.00 0.00 28.75 30.63 2e5n h GLU 75 CO 0.10 0.36 -0.34 1.28 -1.00 0.00 0.00 179.01 179.40 2e5n n LEU 76 N -3.41 -1.37 -3.76 1.33 4.77 -0.72 -5.02 117.00 108.81 2e5n n LEU 76 Ca 0.00 -0.39 -0.22 0.00 -0.03 0.00 0.00 56.01 55.37 2e5n n LEU 76 Cb 0.54 -0.78 -0.18 0.00 -2.33 0.00 0.00 43.42 40.67 2e5n n LEU 76 CO 0.37 -3.29 -0.38 -1.10 -1.33 0.00 0.00 177.39 171.66 2e5n s GLN 77 N -3.52 0.54 0.48 3.23 -1.52 -1.26 -5.01 119.66 112.60 2e5n s GLN 77 Ca 0.38 0.13 0.19 0.00 -1.95 0.00 0.00 55.36 54.12 2e5n s GLN 77 Cb -0.06 -0.91 1.21 0.00 -0.22 0.00 0.00 33.01 33.02 2e5n s GLN 77 CO 0.36 -0.30 2.04 0.00 -0.25 0.00 0.00 175.29 177.15 2e5n h ARG 78 N 8.29 0.00 -0.94 2.91 3.08 -1.97 -1.74 114.38 124.01 2e5n h ARG 78 Ca -0.20 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.64 2e5n h ARG 78 Cb 1.12 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 31.05 2e5n h ARG 78 CO 0.26 0.15 0.27 -3.47 -1.07 0.00 0.00 179.97 176.11 2e5n n ASP 79 N -4.09 3.48 -4.66 7.04 2.03 -1.26 -4.93 116.55 114.16 2e5n n ASP 79 Ca -0.02 -2.80 -0.42 0.00 0.52 0.00 0.00 54.79 52.06 2e5n n ASP 79 Cb 0.23 -0.67 -0.03 0.00 -0.72 0.00 0.00 41.12 39.93 2e5n n ASP 79 CO 0.00 0.00 0.00 0.86 -1.92 0.00 0.00 177.20 176.14 2e5n s TRP 80 N -1.88 2.42 -1.87 -0.67 -0.11 -0.66 -4.87 118.94 111.31 2e5n s TRP 80 Ca 0.32 0.57 0.15 0.00 1.22 0.00 0.00 56.10 58.36 2e5n s TRP 80 Cb 0.26 -3.73 0.89 0.00 -1.50 0.00 0.00 33.47 29.38 2e5n s TRP 80 CO 0.07 -2.89 1.36 -0.35 -4.62 0.00 0.00 176.95 170.52 2e5n n PRO 81 N 6.65 0.42 0.00 5.86 -0.04 -1.26 -2.35 135.00 144.29 2e5n n PRO 81 Ca 0.15 0.03 0.13 0.00 -0.04 0.00 0.00 63.50 63.78 2e5n n PRO 81 Cb 0.44 -1.50 0.37 0.00 -0.04 0.00 0.00 33.50 32.77 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 -0.03 -1.12 3.49 0.55 0.00 -1.26 -4.76 105.19 102.06 2e5n n GLY 82 Ca 0.11 -0.31 -0.40 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.83 3.21 1.24 1.61 2.02 -0.99 -5.01 117.35 116.60 2e5n s TYR 83 Ca 0.16 -0.39 -0.19 0.00 -0.37 0.00 0.00 57.07 56.28 2e5n s TYR 83 Cb 0.18 -2.44 0.30 0.00 -0.40 0.00 0.00 41.96 39.60 2e5n s TYR 83 CO 0.61 -0.42 1.07 -1.12 -1.57 0.00 0.00 175.55 174.12 2e5n s SER 84 N 1.68 0.55 0.57 2.29 0.01 -1.26 -4.31 113.70 113.22 2e5n s SER 84 Ca 0.05 0.74 0.34 0.00 1.31 0.00 0.00 55.95 58.39 2e5n s SER 84 Cb -0.17 -1.05 1.46 0.00 0.21 0.00 0.00 66.02 66.46 2e5n s SER 84 CO 0.09 -4.36 1.75 -0.08 0.41 0.00 0.00 173.24 171.05 2e5n h GLU 85 N -2.74 0.00 0.00 12.44 4.81 -2.00 -1.67 114.58 125.42 2e5n h GLU 85 Ca -0.46 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 58.70 2e5n h GLU 85 Cb 1.31 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.68 2e5n h GLU 85 CO 0.35 0.00 -0.76 -0.89 -0.73 0.00 0.00 179.01 176.98 2e5n n ILE 86 N -3.91 1.45 -0.39 2.32 -0.00 -1.26 -4.19 119.36 113.38 2e5n n ILE 86 Ca 0.21 0.14 -0.05 0.00 -0.00 0.00 0.00 62.75 63.05 2e5n n ILE 86 Cb 1.17 -2.28 -0.02 0.00 -0.00 0.00 0.00 39.64 38.51 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 -4.56 -0.80 -0.30 4.38 9.92 -0.79 0.21 116.55 124.62 2e5n n ASP 87 Ca -0.15 1.71 0.04 0.00 -0.53 0.00 0.00 54.79 55.85 2e5n n ASP 87 Cb 0.40 -0.32 0.12 0.00 -0.64 0.00 0.00 41.12 40.68 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 0.01 0.00 -1.24 3.08 -1.52 1.63 114.38 116.34 2e5n h ARG 88 Ca 0.26 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.31 2e5n h ARG 88 Cb 0.50 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.55 2e5n h ARG 88 CO -0.94 0.00 0.00 0.07 -1.07 0.00 0.00 179.97 178.03 2e5n h ARG 89 N 0.01 0.00 0.00 0.04 0.11 -0.40 -2.58 114.38 111.56 2e5n h ARG 89 Ca 0.41 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.49 2e5n h ARG 89 Cb 0.65 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.73 2e5n h ARG 89 CO -0.86 0.00 -0.76 1.03 0.10 0.00 0.00 179.97 179.48 2e5n h SER 90 N 0.00 0.00 0.32 0.08 0.87 0.58 -3.35 113.55 112.05 2e5n h SER 90 Ca 0.00 -0.04 -0.32 0.00 -1.23 0.00 0.00 61.79 60.19 2e5n h SER 90 Cb 0.70 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.62 2e5n h SER 90 CO 0.00 0.02 -1.90 -0.11 -0.53 0.00 0.00 176.83 174.31 2e5n n LEU 91 N -2.63 1.26 0.11 2.23 0.00 0.27 -3.96 117.00 114.28 2e5n n LEU 91 Ca 0.01 0.29 0.07 0.00 0.00 0.00 0.00 56.01 56.38 2e5n n LEU 91 Cb 0.52 -0.13 0.36 0.00 0.00 0.00 0.00 43.42 44.17 2e5n n LEU 91 CO 0.38 0.54 0.72 -1.84 0.00 0.00 0.00 177.39 177.19 2e5n n GLU 92 N -3.12 0.09 -0.05 1.96 0.28 -0.98 -2.46 120.64 116.36 2e5n n GLU 92 Ca -0.24 0.57 -0.01 0.00 -0.16 0.00 0.00 57.16 57.32 2e5n n GLU 92 Cb 1.06 -1.85 -0.00 0.00 1.43 0.00 0.00 31.44 32.08 2e5n n GLU 92 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 2e5n h SER 93 N 0.00 0.00 -0.54 -1.84 0.87 -1.74 -3.29 113.55 107.01 2e5n h SER 93 Ca 0.00 0.00 0.05 0.00 -1.23 0.00 0.00 61.79 60.61 2e5n h SER 93 Cb 0.13 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 62.01 2e5n h SER 93 CO 0.00 0.47 -0.47 0.58 -0.53 0.00 0.00 176.83 176.88 2e5n h VAL 94 N -0.83 0.00 -0.94 2.23 2.07 -1.66 0.20 116.25 117.32 2e5n h VAL 94 Ca 0.00 0.00 0.28 0.00 0.82 0.00 0.00 66.70 67.80 2e5n h VAL 94 Cb 0.11 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 29.72 2e5n h VAL 94 CO 0.00 0.00 0.23 -0.07 0.02 0.00 0.00 177.57 177.75 2e5n h LEU 95 N -0.19 -0.09 -1.18 2.57 3.38 -1.74 1.34 115.31 119.40 2e5n h LEU 95 Ca 0.09 0.24 -0.07 0.00 0.09 0.00 0.00 57.88 58.23 2e5n h LEU 95 Cb 0.42 0.34 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 2e5n h LEU 95 CO -0.60 -0.27 -0.17 -1.28 0.09 0.00 0.00 178.44 176.21 2e5n h SER 96 N 0.11 0.36 0.03 -0.43 0.87 -0.75 0.66 113.55 114.40 2e5n h SER 96 Ca 0.62 -0.09 -0.19 0.00 -1.23 0.00 0.00 61.79 60.90 2e5n h SER 96 Cb 1.36 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.23 2e5n h SER 96 CO -0.76 0.55 -0.70 0.03 -0.53 0.00 0.00 176.83 175.42 2e5n h ARG 97 N 0.34 0.61 0.00 2.24 2.47 0.32 -3.39 114.38 116.97 2e5n h ARG 97 Ca 0.06 -0.47 0.00 0.00 -1.26 0.00 0.00 59.98 58.32 2e5n h ARG 97 Cb 0.50 0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.90 2e5n h ARG 97 CO 0.03 1.09 -0.09 0.87 0.56 0.00 0.00 179.97 182.43 2e5n h LYS 98 N 0.43 0.00 -5.54 0.04 1.79 -0.55 -3.43 116.57 109.31 2e5n h LYS 98 Ca -0.03 0.00 -0.27 0.00 -2.18 0.00 0.00 60.65 58.17 2e5n h LYS 98 Cb 1.29 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.94 2e5n h LYS 98 CO 0.13 0.00 0.91 -0.51 -1.08 0.00 0.00 179.45 178.90 2e5n s LEU 99 N -5.37 3.16 0.00 2.94 1.43 0.23 -5.08 118.68 115.99 2e5n s LEU 99 Ca -0.03 0.50 0.31 0.00 -1.03 0.00 0.00 54.13 53.88 2e5n s LEU 99 Cb 0.00 -2.53 1.85 0.00 0.03 0.00 0.00 46.19 45.54 2e5n s LEU 99 CO 0.04 -3.25 2.17 -0.46 0.23 0.00 0.00 176.35 175.09