#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 2.42 0.03 1.61 1.04 -1.26 -5.11 113.70 112.42 2e5n s SER 2 Ca 0.00 -0.43 -0.28 0.00 0.48 0.00 0.00 55.95 55.73 2e5n s SER 2 Cb 0.00 -1.10 0.10 0.00 0.10 0.00 0.00 66.02 65.11 2e5n s SER 2 CO 0.00 0.08 1.23 -0.94 0.98 0.00 0.00 173.24 174.59 2e5n s SER 3 N 0.62 -0.02 0.00 7.02 1.04 -1.26 -5.19 113.70 115.91 2e5n s SER 3 Ca -0.14 -0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.01 2e5n s SER 3 Cb -0.16 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.18 2e5n s SER 3 CO 0.04 -0.44 0.00 0.61 0.98 0.00 0.00 173.24 174.43 2e5n n GLY 4 N -0.74 1.32 3.56 7.32 0.00 -1.26 -5.01 105.19 110.38 2e5n n GLY 4 Ca -0.01 -0.82 -0.22 0.00 0.00 0.00 0.00 46.02 44.97 2e5n n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2e5n n SER 5 N -0.31 -4.27 -4.45 1.61 7.64 -1.26 -4.81 113.62 107.77 2e5n n SER 5 Ca 0.00 -0.60 -0.49 0.00 1.01 0.00 0.00 58.87 58.78 2e5n n SER 5 Cb 0.00 -4.94 -0.07 0.00 -1.01 0.00 0.00 64.21 58.19 2e5n n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2e5n n SER 6 N -3.05 2.01 -3.62 6.43 7.64 -1.26 -4.89 113.62 116.87 2e5n n SER 6 Ca -0.12 0.34 -0.15 0.00 1.01 0.00 0.00 58.87 59.95 2e5n n SER 6 Cb 0.61 -1.26 -0.07 0.00 -1.01 0.00 0.00 64.21 62.48 2e5n n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2e5n s GLY 7 N 7.74 -0.53 0.08 0.23 0.00 -1.26 -5.18 107.32 108.40 2e5n s GLY 7 Ca 1.11 1.84 0.01 0.00 0.00 0.00 0.00 44.72 47.68 2e5n s GLY 7 CO 0.48 1.56 -0.06 -0.51 0.00 0.00 0.00 173.10 174.56 2e5n s THR 8 N 0.09 0.58 0.12 0.90 -4.23 -1.26 -5.06 115.64 106.78 2e5n s THR 8 Ca -0.02 -1.77 -0.12 0.00 -1.18 0.00 0.00 61.69 58.60 2e5n s THR 8 Cb -0.04 -1.47 -0.11 0.00 1.34 0.00 0.00 72.50 72.23 2e5n s THR 8 CO 0.03 -0.81 1.38 0.40 -0.54 0.00 0.00 174.62 175.07 2e5n h ILE 9 N 3.26 1.28 -0.63 2.99 1.08 -2.00 -3.22 117.51 120.27 2e5n h ILE 9 Ca -0.35 -1.76 0.11 0.00 -0.39 0.00 0.00 64.86 62.47 2e5n h ILE 9 Cb 1.17 1.71 -0.08 0.00 -3.07 0.00 0.00 36.82 36.55 2e5n h ILE 9 CO 0.61 0.57 0.20 0.28 -0.69 0.00 0.00 178.15 179.12 2e5n h SER 10 N 0.61 0.15 -0.43 1.72 0.02 -1.94 0.14 113.55 113.83 2e5n h SER 10 Ca 0.00 0.10 0.12 0.00 -0.84 0.00 0.00 61.79 61.17 2e5n h SER 10 Cb 1.19 0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.81 2e5n h SER 10 CO 0.13 0.08 0.31 1.56 -1.14 0.00 0.00 176.83 177.77 2e5n h GLN 11 N 0.36 0.00 -7.15 3.45 4.20 -1.99 -3.42 115.11 110.56 2e5n h GLN 11 Ca 0.33 0.00 -0.50 0.00 0.06 0.00 0.00 58.65 58.54 2e5n h GLN 11 Cb 0.46 0.00 0.08 0.00 0.30 0.00 0.00 27.48 28.32 2e5n h GLN 11 CO -0.36 0.00 0.40 1.03 -0.67 0.00 0.00 178.83 179.23 2e5n s ARG 12 N -5.02 3.12 0.19 1.46 1.81 0.49 -4.98 118.95 116.03 2e5n s ARG 12 Ca -0.05 1.44 -0.30 0.00 -1.72 0.00 0.00 55.73 55.10 2e5n s ARG 12 Cb 0.19 -1.99 -0.09 0.00 -0.45 0.00 0.00 34.95 32.62 2e5n s ARG 12 CO 0.72 -1.00 1.31 -1.25 -0.68 0.00 0.00 175.30 174.39 2e5n s PRO 13 N -3.75 4.39 0.10 3.54 0.04 -1.26 -4.90 135.00 133.15 2e5n s PRO 13 Ca 0.69 2.04 -0.20 0.00 0.04 0.00 0.00 61.00 63.57 2e5n s PRO 13 Cb -0.21 -3.20 -0.05 0.00 0.04 0.00 0.00 34.50 31.07 2e5n s PRO 13 CO 0.34 -0.26 1.35 -0.92 0.04 0.00 0.00 177.00 177.55 2e5n h TYR 14 N 5.50 -1.18 -0.67 0.56 3.20 -1.93 -0.32 116.97 122.13 2e5n h TYR 14 Ca -0.44 0.07 0.10 0.00 3.14 0.00 0.00 58.73 61.60 2e5n h TYR 14 Cb 1.21 0.58 -0.11 0.00 1.54 0.00 0.00 36.73 39.96 2e5n h TYR 14 CO 0.62 -0.27 -0.27 -2.13 -1.64 0.00 0.00 178.16 174.48 2e5n n ARG 15 N -4.44 -0.16 0.22 1.82 0.63 -1.26 0.41 116.66 113.88 2e5n n ARG 15 Ca -0.00 1.03 -0.16 0.00 -0.92 0.00 0.00 57.85 57.80 2e5n n ARG 15 Cb 0.19 -1.52 -0.08 0.00 0.45 0.00 0.00 32.46 31.49 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 -1.17 -1.07 6.15 5.19 -1.45 -0.02 116.42 124.05 2e5n h ASP 16 Ca 0.23 0.11 0.30 0.00 -0.62 0.00 0.00 57.03 57.04 2e5n h ASP 16 Cb 0.39 0.40 -0.06 0.00 0.18 0.00 0.00 39.33 40.25 2e5n h ASP 16 CO -0.66 -0.55 0.75 0.03 -3.12 0.00 0.00 179.24 175.68 2e5n h ARG 17 N -0.81 0.12 0.12 3.56 3.08 0.45 0.23 114.38 121.13 2e5n h ARG 17 Ca -0.03 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 2e5n h ARG 17 Cb 0.74 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.77 2e5n h ARG 17 CO -0.11 0.08 -0.06 0.28 -1.07 0.00 0.00 179.97 179.10 2e5n h VAL 18 N 0.13 0.00 -0.88 2.04 2.07 0.13 -3.21 116.25 116.53 2e5n h VAL 18 Ca 0.54 -0.31 0.19 0.00 0.82 0.00 0.00 66.70 67.94 2e5n h VAL 18 Cb 1.89 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 31.55 2e5n h VAL 18 CO -0.10 0.00 0.42 0.16 0.02 0.00 0.00 177.57 178.07 2e5n h ILE 19 N -0.48 0.59 -0.36 4.57 3.07 -0.59 0.49 117.51 124.81 2e5n h ILE 19 Ca -0.02 -0.17 0.10 0.00 1.55 0.00 0.00 64.86 66.32 2e5n h ILE 19 Cb 0.13 0.04 -0.01 0.00 -0.27 0.00 0.00 36.82 36.71 2e5n h ILE 19 CO 0.03 0.09 0.34 0.45 -1.05 0.00 0.00 178.15 178.01 2e5n h HIS 20 N 0.51 0.00 0.10 0.16 3.86 -0.69 0.26 115.15 119.36 2e5n h HIS 20 Ca 0.52 0.00 -0.32 0.00 -1.16 0.00 0.00 60.37 59.40 2e5n h HIS 20 Cb 0.87 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.33 2e5n h HIS 20 CO -0.11 0.00 -1.72 -0.07 0.86 0.00 0.00 177.93 176.88 2e5n h LEU 21 N 0.00 0.34 -1.39 2.43 3.38 -0.07 -3.37 115.31 116.63 2e5n h LEU 21 Ca 0.17 -0.84 -0.05 0.00 0.09 0.00 0.00 57.88 57.25 2e5n h LEU 21 Cb 0.84 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 2e5n h LEU 21 CO -0.00 1.74 -0.13 -0.07 0.09 0.00 0.00 178.44 180.07 2e5n h LEU 22 N -0.21 0.23 0.00 1.67 3.38 -0.26 -3.25 115.31 116.87 2e5n h LEU 22 Ca -0.38 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.54 2e5n h LEU 22 Cb 1.84 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 42.53 2e5n h LEU 22 CO 0.03 0.39 -0.01 0.00 0.09 0.00 0.00 178.44 178.94 2e5n h ALA 23 N 1.64 -0.50 -0.93 1.53 0.00 -0.67 -2.05 119.26 118.29 2e5n h ALA 23 Ca 0.05 -0.00 0.29 0.00 0.00 0.00 0.00 54.91 55.24 2e5n h ALA 23 Cb 0.38 0.51 -0.17 0.00 0.00 0.00 0.00 17.79 18.51 2e5n h ALA 23 CO 0.02 -0.50 0.13 1.28 0.00 0.00 0.00 179.25 180.18 2e5n n LEU 24 N -2.53 -0.01 -3.65 0.00 4.77 -1.23 -4.70 117.00 109.65 2e5n n LEU 24 Ca -0.00 1.57 -0.05 0.00 -0.03 0.00 0.00 56.01 57.49 2e5n n LEU 24 Cb 0.00 -0.62 -0.02 0.00 -2.33 0.00 0.00 43.42 40.46 2e5n n LEU 24 CO 0.00 -1.63 0.72 -1.59 -1.33 0.00 0.00 177.39 173.57 2e5n s LYS 25 N -5.79 1.02 0.26 3.23 -2.85 -0.77 -5.05 119.74 109.78 2e5n s LYS 25 Ca -0.11 -0.50 -0.30 0.00 -1.00 0.00 0.00 55.97 54.06 2e5n s LYS 25 Cb 0.28 0.38 -0.09 0.00 -2.06 0.00 0.00 37.83 36.34 2e5n s LYS 25 CO 0.72 -0.46 1.28 0.00 0.10 0.00 0.00 175.35 177.00 2e5n s ALA 26 N -3.18 3.50 0.16 0.59 0.00 -1.24 -4.08 121.76 117.51 2e5n s ALA 26 Ca 0.10 1.14 0.08 0.00 0.00 0.00 0.00 51.96 53.27 2e5n s ALA 26 Cb -0.01 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.61 2e5n s ALA 26 CO -0.02 -0.52 -0.18 0.71 0.00 0.00 0.00 175.76 175.75 2e5n s TYR 27 N -0.51 1.77 0.25 0.00 1.51 -0.61 -4.85 117.35 114.91 2e5n s TYR 27 Ca 0.52 -0.48 -0.01 0.00 -1.01 0.00 0.00 57.07 56.09 2e5n s TYR 27 Cb -0.37 -0.88 -0.04 0.00 -0.11 0.00 0.00 41.96 40.55 2e5n s TYR 27 CO 0.44 0.31 0.46 0.15 -1.11 0.00 0.00 175.55 175.80 2e5n s LYS 28 N -2.84 3.54 0.20 -0.62 3.01 -1.26 -0.09 119.74 121.67 2e5n s LYS 28 Ca 0.15 -0.27 -0.22 0.00 -1.01 0.00 0.00 55.97 54.63 2e5n s LYS 28 Cb -0.05 -2.76 0.13 0.00 -1.01 0.00 0.00 37.83 34.14 2e5n s LYS 28 CO 0.06 0.31 1.56 -0.22 0.51 0.00 0.00 175.35 177.57 2e5n h LYS 29 N 1.64 -0.07 0.04 1.68 1.63 -1.98 0.54 116.57 120.06 2e5n h LYS 29 Ca -0.48 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.32 2e5n h LYS 29 Cb 1.20 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.84 2e5n h LYS 29 CO 0.66 -0.05 -0.02 -1.00 -3.45 0.00 0.00 179.45 175.59 2e5n h PRO 30 N -0.07 -0.06 0.19 1.90 0.13 -1.96 -3.23 132.00 128.89 2e5n h PRO 30 Ca 0.26 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.39 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 -0.87 0.41 -0.24 1.49 -0.23 0.00 0.00 178.00 178.55 2e5n h GLU 31 N -0.55 -0.43 -0.75 0.86 4.81 -1.76 -2.32 114.58 114.44 2e5n h GLU 31 Ca -0.01 0.03 0.22 0.00 -0.13 0.00 0.00 59.36 59.47 2e5n h GLU 31 Cb 0.49 0.10 -0.14 0.00 0.63 0.00 0.00 28.75 29.83 2e5n h GLU 31 CO 0.01 -0.29 0.06 -0.11 -0.73 0.00 0.00 179.01 177.96 2e5n n LEU 32 N -3.82 -0.05 0.33 1.64 0.00 0.18 0.70 117.00 115.99 2e5n n LEU 32 Ca -0.05 1.28 -0.17 0.00 0.00 0.00 0.00 56.01 57.06 2e5n n LEU 32 Cb 0.21 -0.48 -0.09 0.00 0.00 0.00 0.00 43.42 43.06 2e5n n LEU 32 CO 0.11 -1.31 0.65 -0.07 0.00 0.00 0.00 177.39 176.77 2e5n h LEU 33 N 0.00 -0.81 -1.72 -1.96 3.38 -1.45 -2.17 115.31 110.58 2e5n h LEU 33 Ca 0.48 0.04 0.50 0.00 0.09 0.00 0.00 57.88 58.99 2e5n h LEU 33 Cb 1.03 0.23 -0.07 0.00 0.09 0.00 0.00 40.66 41.94 2e5n h LEU 33 CO -0.69 -0.53 1.25 0.00 0.09 0.00 0.00 178.44 178.55 2e5n n ALA 34 N -2.52 1.65 -0.03 1.53 0.00 0.22 0.15 120.51 121.51 2e5n n ALA 34 Ca -0.13 0.57 -0.16 0.00 0.00 0.00 0.00 53.44 53.73 2e5n n ALA 34 Cb 0.36 -0.99 -0.13 0.00 0.00 0.00 0.00 19.45 18.69 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 0.10 0.14 0.00 2.47 -1.26 -3.25 114.38 112.58 2e5n h ARG 35 Ca 0.82 -0.16 -0.01 0.00 -1.26 0.00 0.00 59.98 59.37 2e5n h ARG 35 Cb 3.30 0.06 0.00 0.00 -1.65 0.00 0.00 29.97 31.68 2e5n h ARG 35 CO -0.01 1.04 -0.07 -0.07 0.56 0.00 0.00 179.97 181.43 2e5n h LEU 36 N -0.76 -0.16 -1.53 3.04 3.38 0.17 -3.23 115.31 116.21 2e5n h LEU 36 Ca -0.04 -0.38 0.43 0.00 0.09 0.00 0.00 57.88 57.98 2e5n h LEU 36 Cb 1.16 0.04 -0.11 0.00 0.09 0.00 0.00 40.66 41.84 2e5n h LEU 36 CO 0.05 0.41 0.92 1.56 0.09 0.00 0.00 178.44 181.47 2e5n h GLN 37 N -0.86 0.09 -0.03 1.13 1.08 0.02 0.67 115.11 117.21 2e5n h GLN 37 Ca -0.02 -0.01 0.03 0.00 -1.45 0.00 0.00 58.65 57.20 2e5n h GLN 37 Cb 0.53 -0.02 -0.06 0.00 -0.05 0.00 0.00 27.48 27.89 2e5n h GLN 37 CO 0.03 0.06 -0.48 0.87 -0.95 0.00 0.00 178.83 178.36 2e5n h LYS 38 N 0.09 -0.59 0.00 1.46 1.57 -1.59 -0.13 116.57 117.39 2e5n h LYS 38 Ca 0.80 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.62 2e5n h LYS 38 Cb 2.63 0.13 0.00 0.00 0.08 0.00 0.00 32.23 35.07 2e5n h LYS 38 CO -0.32 -0.39 0.00 -0.25 -0.57 0.00 0.00 179.45 177.92 2e5n n ASP 39 N -5.46 0.64 0.00 0.86 8.00 0.12 -4.96 116.55 115.76 2e5n n ASP 39 Ca -0.06 0.60 0.00 0.00 0.71 0.00 0.00 54.79 56.04 2e5n n ASP 39 Cb 0.38 -0.76 0.00 0.00 -0.02 0.00 0.00 41.12 40.73 2e5n n ASP 39 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2e5n n GLY 40 N 0.73 3.95 2.70 0.44 0.00 -0.06 -4.98 105.19 107.98 2e5n n GLY 40 Ca 0.04 -1.28 -0.21 0.00 0.00 0.00 0.00 46.02 44.57 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 -0.14 0.06 0.74 1.61 1.01 -1.26 -4.54 120.40 117.88 2e5n s VAL 41 Ca 0.00 0.31 -0.13 0.00 0.00 0.00 0.00 61.98 62.15 2e5n s VAL 41 Cb 0.00 -0.29 0.05 0.00 0.00 0.00 0.00 36.38 36.13 2e5n s VAL 41 CO 0.00 0.20 1.14 0.20 0.00 0.00 0.00 175.10 176.63 2e5n s ASN 42 N 2.10 4.38 0.04 3.32 0.01 -1.26 -4.89 114.94 118.65 2e5n s ASN 42 Ca 0.05 2.08 -0.19 0.00 -0.71 0.00 0.00 52.86 54.09 2e5n s ASN 42 Cb -0.12 -2.56 -0.15 0.00 0.41 0.00 0.00 41.25 38.83 2e5n s ASN 42 CO -0.04 -2.12 1.32 -0.61 -1.51 0.00 0.00 177.10 174.13 2e5n h GLN 43 N -0.62 0.42 -0.38 -0.60 4.15 -2.01 -1.77 115.11 114.30 2e5n h GLN 43 Ca -0.46 -0.25 0.11 0.00 0.77 0.00 0.00 58.65 58.83 2e5n h GLN 43 Cb 1.26 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.96 2e5n h GLN 43 CO 0.50 0.83 0.28 1.57 -1.93 0.00 0.00 178.83 180.09 2e5n h LYS 44 N 0.03 0.00 0.16 1.69 -0.00 -2.02 -1.16 116.57 115.27 2e5n h LYS 44 Ca 0.01 0.00 -0.32 0.00 -0.00 0.00 0.00 60.65 60.35 2e5n h LYS 44 Cb 0.79 0.00 0.01 0.00 -0.00 0.00 0.00 32.23 33.03 2e5n h LYS 44 CO 0.05 0.00 -1.53 -0.44 -0.00 0.00 0.00 179.45 177.53 2e5n h ASP 45 N 0.00 0.52 -0.94 7.07 5.19 -1.92 -3.27 116.42 123.07 2e5n h ASP 45 Ca 0.18 -0.67 0.26 0.00 -0.62 0.00 0.00 57.03 56.18 2e5n h ASP 45 Cb 0.74 -0.17 -0.14 0.00 0.18 0.00 0.00 39.33 39.94 2e5n h ASP 45 CO -0.00 1.55 0.43 0.11 -3.12 0.00 0.00 179.24 178.21 2e5n h LYS 46 N 0.09 0.33 -0.12 3.56 1.57 -0.28 0.43 116.57 122.15 2e5n h LYS 46 Ca -0.25 -0.02 -0.19 0.00 -1.87 0.00 0.00 60.65 58.32 2e5n h LYS 46 Cb 2.05 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 34.30 2e5n h LYS 46 CO 0.19 0.22 -0.68 -0.97 -0.57 0.00 0.00 179.45 177.63 2e5n h ASN 47 N 0.34 0.81 0.03 0.86 -1.24 -1.65 -3.18 115.58 111.54 2e5n h ASN 47 Ca 0.63 -0.65 -0.04 0.00 0.71 0.00 0.00 56.30 56.96 2e5n h ASN 47 Cb 1.32 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 40.12 2e5n h ASN 47 CO -0.59 1.33 -0.10 0.28 -1.29 0.00 0.00 177.43 177.05 2e5n h SER 48 N 0.35 0.16 -0.15 1.15 0.02 -0.73 -3.21 113.55 111.14 2e5n h SER 48 Ca -0.05 -0.03 0.02 0.00 -0.84 0.00 0.00 61.79 60.89 2e5n h SER 48 Cb 1.33 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 63.80 2e5n h SER 48 CO 0.14 0.29 -0.18 0.25 -1.14 0.00 0.00 176.83 176.20 2e5n h LEU 49 N 0.17 -0.60 -1.76 5.07 6.46 -0.27 0.48 115.31 124.87 2e5n h LEU 49 Ca 0.04 0.08 0.44 0.00 -0.12 0.00 0.00 57.88 58.31 2e5n h LEU 49 Cb 0.30 0.25 -0.09 0.00 -0.73 0.00 0.00 40.66 40.39 2e5n h LEU 49 CO 0.02 -0.12 1.01 1.23 -0.62 0.00 0.00 178.44 179.96 2e5n h GLY 50 N -0.11 0.52 1.38 3.75 0.00 -1.70 0.75 103.07 107.65 2e5n h GLY 50 Ca 0.03 -0.05 -0.31 0.00 0.00 0.00 0.00 47.33 46.99 2e5n h GLY 50 CO -0.20 -0.13 -1.35 0.00 0.00 0.00 0.00 176.54 174.86 2e5n h ALA 51 N 1.36 -0.04 -0.39 3.60 0.00 -0.74 -3.32 119.26 119.73 2e5n h ALA 51 Ca 0.76 -0.84 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 2e5n h ALA 51 Cb 2.76 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 20.64 2e5n h ALA 51 CO -0.16 0.78 -0.12 0.82 0.00 0.00 0.00 179.25 180.57 2e5n h ILE 52 N 0.15 1.28 -0.99 0.00 2.04 0.48 -2.18 117.51 118.29 2e5n h ILE 52 Ca -0.20 -1.22 0.24 0.00 1.00 0.00 0.00 64.86 64.68 2e5n h ILE 52 Cb 2.05 1.26 -0.08 0.00 -0.74 0.00 0.00 36.82 39.30 2e5n h ILE 52 CO 0.25 0.41 0.64 -0.07 0.00 0.00 0.00 178.15 179.38 2e5n h LEU 53 N 0.57 0.45 0.00 1.44 3.38 -0.93 0.71 115.31 120.93 2e5n h LEU 53 Ca 0.10 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2e5n h LEU 53 Cb 0.65 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.39 2e5n h LEU 53 CO 0.04 0.13 -0.67 -0.61 0.09 0.00 0.00 178.44 177.42 2e5n h GLN 54 N 0.42 0.00 0.00 1.13 4.15 -1.59 0.98 115.11 120.20 2e5n h GLN 54 Ca 0.54 0.00 -0.10 0.00 0.77 0.00 0.00 58.65 59.86 2e5n h GLN 54 Cb 1.35 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 29.03 2e5n h GLN 54 CO -0.25 0.00 -1.01 1.96 -1.93 0.00 0.00 178.83 177.61 2e5n h GLN 55 N 0.00 0.00 0.00 1.69 1.08 0.79 -3.39 115.11 115.28 2e5n h GLN 55 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2e5n h GLN 55 Cb 0.90 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.33 2e5n h GLN 55 CO 0.00 0.24 -0.88 1.33 -0.95 0.00 0.00 178.83 178.57 2e5n n VAL 56 N -2.93 0.00 -4.61 -0.54 0.24 0.17 -5.05 118.33 105.62 2e5n n VAL 56 Ca -0.04 0.00 -0.28 0.00 -2.04 0.00 0.00 64.34 61.98 2e5n n VAL 56 Cb 0.72 -0.08 -0.08 0.00 -1.47 0.00 0.00 33.84 32.93 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 -1.82 3.33 -0.08 2.33 0.00 0.34 0.12 121.76 125.99 2e5n s ALA 57 Ca 0.00 -1.08 0.02 0.00 0.00 0.00 0.00 51.96 50.90 2e5n s ALA 57 Cb 0.00 0.43 0.01 0.00 0.00 0.00 0.00 23.12 23.56 2e5n s ALA 57 CO 0.00 -0.20 -0.13 -0.80 0.00 0.00 0.00 175.76 174.63 2e5n s ASN 58 N -3.70 1.98 0.10 0.00 0.01 0.12 -3.67 114.94 109.79 2e5n s ASN 58 Ca 0.19 -0.33 -0.30 0.00 -0.71 0.00 0.00 52.86 51.71 2e5n s ASN 58 Cb 0.03 -0.90 -0.06 0.00 0.41 0.00 0.00 41.25 40.74 2e5n s ASN 58 CO 0.11 0.02 1.01 -0.22 -1.51 0.00 0.00 177.10 176.51 2e5n s LEU 59 N 0.80 4.47 -0.40 0.60 0.20 -1.26 -0.64 118.68 122.45 2e5n s LEU 59 Ca -0.12 1.85 -0.04 0.00 0.69 0.00 0.00 54.13 56.51 2e5n s LEU 59 Cb -0.15 -3.59 0.10 0.00 -0.43 0.00 0.00 46.19 42.12 2e5n s LEU 59 CO 0.02 -0.15 0.19 0.21 -0.29 0.00 0.00 176.35 176.32 2e5n s ASN 60 N 0.20 5.28 0.42 3.68 2.47 0.22 -4.96 114.94 122.25 2e5n s ASN 60 Ca 0.49 -1.85 0.25 0.00 0.42 0.00 0.00 52.86 52.17 2e5n s ASN 60 Cb -0.25 -1.84 1.28 0.00 -1.45 0.00 0.00 41.25 38.99 2e5n s ASN 60 CO 0.30 -0.51 1.69 -1.28 -3.72 0.00 0.00 177.10 173.58 2e5n h SER 61 N 8.11 0.33 -0.13 -4.21 0.87 -1.93 1.26 113.55 117.84 2e5n h SER 61 Ca -0.16 0.11 0.01 0.00 -1.23 0.00 0.00 61.79 60.53 2e5n h SER 61 Cb 1.06 0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 63.08 2e5n h SER 61 CO 0.69 -0.07 -0.09 0.50 -0.53 0.00 0.00 176.83 177.33 2e5n h LYS 62 N 0.22 -0.02 -0.17 2.24 1.63 -1.95 -2.95 116.57 115.57 2e5n h LYS 62 Ca 0.72 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 60.50 2e5n h LYS 62 Cb 2.09 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 33.71 2e5n h LYS 62 CO -0.37 -0.01 -0.02 -0.25 -3.45 0.00 0.00 179.45 175.35 2e5n n ASP 63 N -3.28 3.18 -2.79 4.20 8.00 -0.80 -4.95 116.55 120.11 2e5n n ASP 63 Ca 0.00 -3.13 -0.11 0.00 0.71 0.00 0.00 54.79 52.26 2e5n n ASP 63 Cb 0.04 -0.51 -0.01 0.00 -0.02 0.00 0.00 41.12 40.62 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 -0.90 -0.69 -4.90 0.64 4.77 0.43 -4.90 117.00 111.44 2e5n n LEU 64 Ca 0.20 0.11 -0.33 0.00 -0.03 0.00 0.00 56.01 55.96 2e5n n LEU 64 Cb 0.81 -1.60 -0.05 0.00 -2.33 0.00 0.00 43.42 40.25 2e5n n LEU 64 CO 0.10 -0.00 -0.16 -0.94 -1.33 0.00 0.00 177.39 175.05 2e5n s SER 65 N -2.23 6.32 -0.28 -1.43 1.04 -1.14 -4.57 113.70 111.40 2e5n s SER 65 Ca 0.14 0.33 -0.13 0.00 0.48 0.00 0.00 55.95 56.77 2e5n s SER 65 Cb -0.08 -1.97 -0.04 0.00 0.10 0.00 0.00 66.02 64.03 2e5n s SER 65 CO 0.17 0.26 0.27 -0.31 0.98 0.00 0.00 173.24 174.61 2e5n s TYR 66 N -1.32 3.23 -0.22 5.02 2.02 0.87 -0.61 117.35 126.34 2e5n s TYR 66 Ca 0.27 0.20 -0.09 0.00 -0.37 0.00 0.00 57.07 57.08 2e5n s TYR 66 Cb -0.13 -2.48 -0.04 0.00 -0.40 0.00 0.00 41.96 38.91 2e5n s TYR 66 CO 0.18 -0.22 0.10 0.95 -1.57 0.00 0.00 175.55 175.00 2e5n s THR 67 N 1.89 4.87 0.15 -0.71 -4.23 0.19 -1.57 115.64 116.24 2e5n s THR 67 Ca 0.10 0.01 -0.34 0.00 -1.18 0.00 0.00 61.69 60.28 2e5n s THR 67 Cb -0.16 -3.25 -0.13 0.00 1.34 0.00 0.00 72.50 70.30 2e5n s THR 67 CO 0.11 0.38 1.62 -0.11 -0.54 0.00 0.00 174.62 176.07 2e5n n LEU 68 N 4.21 3.25 0.00 4.79 0.00 -1.26 0.16 117.00 128.15 2e5n n LEU 68 Ca -0.16 1.07 -0.11 0.00 0.00 0.00 0.00 56.01 56.82 2e5n n LEU 68 Cb 0.52 -1.45 0.10 0.00 0.00 0.00 0.00 43.42 42.60 2e5n n LEU 68 CO 0.34 -0.21 0.12 0.29 0.00 0.00 0.00 177.39 177.93 2e5n n LYS 69 N 3.69 -1.29 -0.11 1.96 5.02 0.12 -4.84 118.16 122.71 2e5n n LYS 69 Ca 0.17 -0.51 -0.23 0.00 -2.02 0.00 0.00 58.31 55.72 2e5n n LYS 69 Cb 0.30 -0.93 -0.12 0.00 -0.02 0.00 0.00 35.03 34.26 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 -1.90 1.98 -0.19 4.39 5.75 -1.26 -4.35 116.55 120.97 2e5n n ASP 70 Ca 0.05 0.15 -0.09 0.00 -0.01 0.00 0.00 54.79 54.89 2e5n n ASP 70 Cb 0.21 -0.69 0.02 0.00 -1.03 0.00 0.00 41.12 39.63 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 -0.46 0.94 -0.99 2.11 -0.00 -1.94 -2.71 116.97 113.92 2e5n h TYR 71 Ca -0.57 -0.12 0.25 0.00 -0.00 0.00 0.00 58.73 58.29 2e5n h TYR 71 Cb 1.75 -0.26 -0.07 0.00 -0.00 0.00 0.00 36.73 38.14 2e5n h TYR 71 CO 0.00 0.83 0.67 0.28 -0.00 0.00 0.00 178.16 179.94 2e5n h VAL 72 N 0.79 0.56 -1.12 -0.90 2.07 -1.87 0.17 116.25 115.95 2e5n h VAL 72 Ca 0.17 -0.10 0.32 0.00 0.82 0.00 0.00 66.70 67.91 2e5n h VAL 72 Cb 0.38 0.24 -0.05 0.00 -1.52 0.00 0.00 31.29 30.33 2e5n h VAL 72 CO 0.01 0.05 0.80 -0.26 0.02 0.00 0.00 177.57 178.19 2e5n h PHE 73 N 0.30 0.07 0.00 1.57 0.04 -1.67 0.96 116.94 118.21 2e5n h PHE 73 Ca 0.53 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 61.16 2e5n h PHE 73 Cb 1.51 -0.02 -0.02 0.00 2.20 0.00 0.00 35.95 39.62 2e5n h PHE 73 CO -0.00 0.01 -0.66 1.57 -0.60 0.00 0.00 178.31 178.63 2e5n h LYS 74 N 0.04 0.00 -0.05 1.51 2.10 -0.83 -3.12 116.57 116.21 2e5n h LYS 74 Ca 0.54 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 59.04 2e5n h LYS 74 Cb 2.09 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 33.41 2e5n h LYS 74 CO -0.04 0.66 -0.63 0.93 -2.00 0.00 0.00 179.45 178.37 2e5n h GLU 75 N 0.00 0.21 -6.27 0.07 5.08 0.86 -3.46 114.58 111.07 2e5n h GLU 75 Ca -0.01 -0.15 -0.52 0.00 -1.00 0.00 0.00 59.36 57.68 2e5n h GLU 75 Cb 1.23 0.03 0.24 0.00 0.50 0.00 0.00 28.75 30.74 2e5n h GLU 75 CO 0.09 0.77 -1.66 1.28 -1.00 0.00 0.00 179.01 178.49 2e5n n LEU 76 N -3.84 -3.55 -4.01 1.33 4.77 -0.91 -4.96 117.00 105.82 2e5n n LEU 76 Ca -0.02 0.14 -0.31 0.00 -0.03 0.00 0.00 56.01 55.78 2e5n n LEU 76 Cb 0.64 -0.83 -0.15 0.00 -2.33 0.00 0.00 43.42 40.74 2e5n n LEU 76 CO 0.44 -4.34 -0.38 -1.10 -1.33 0.00 0.00 177.39 170.69 2e5n s GLN 77 N -2.57 1.70 0.56 3.23 -0.21 -1.26 -4.97 119.66 116.14 2e5n s GLN 77 Ca 0.45 -1.58 0.34 0.00 0.02 0.00 0.00 55.36 54.60 2e5n s GLN 77 Cb -0.12 -2.98 1.48 0.00 1.00 0.00 0.00 33.01 32.40 2e5n s GLN 77 CO 0.74 -0.79 1.79 0.00 -2.12 0.00 0.00 175.29 174.90 2e5n h ARG 78 N 7.72 0.00 -0.94 2.91 2.47 -1.96 0.92 114.38 125.49 2e5n h ARG 78 Ca -0.11 0.00 -0.21 0.00 -1.26 0.00 0.00 59.98 58.40 2e5n h ARG 78 Cb 1.03 0.00 -0.13 0.00 -1.65 0.00 0.00 29.97 29.22 2e5n h ARG 78 CO 0.49 0.00 0.27 -0.40 0.56 0.00 0.00 179.97 180.89 2e5n n ASP 79 N -4.01 3.46 -4.67 7.04 5.75 -1.26 -4.93 116.55 117.92 2e5n n ASP 79 Ca 0.21 -2.79 -0.42 0.00 -0.01 0.00 0.00 54.79 51.78 2e5n n ASP 79 Cb 1.14 -0.66 -0.03 0.00 -1.03 0.00 0.00 41.12 40.54 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 -1.84 2.20 -1.54 2.11 -0.11 0.32 -4.87 118.94 115.21 2e5n s TRP 80 Ca 0.31 0.33 0.15 0.00 1.22 0.00 0.00 56.10 58.10 2e5n s TRP 80 Cb 0.25 -3.88 0.78 0.00 -1.50 0.00 0.00 33.47 29.13 2e5n s TRP 80 CO 0.07 -3.59 1.40 -0.35 -4.62 0.00 0.00 176.95 169.85 2e5n n PRO 81 N 6.60 0.27 0.00 5.86 -0.04 -1.26 -2.39 135.00 144.03 2e5n n PRO 81 Ca 0.16 0.12 0.15 0.00 -0.04 0.00 0.00 63.50 63.88 2e5n n PRO 81 Cb 0.43 -1.50 0.65 0.00 -0.04 0.00 0.00 33.50 33.04 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 -0.49 3.34 0.55 0.00 -1.26 -4.74 105.19 102.57 2e5n n GLY 82 Ca 0.08 -0.34 -0.37 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.12 3.16 1.11 1.61 2.02 -1.01 -4.99 117.35 117.14 2e5n s TYR 83 Ca 0.38 -1.02 -0.18 0.00 -0.37 0.00 0.00 57.07 55.89 2e5n s TYR 83 Cb 0.21 -2.27 0.25 0.00 -0.40 0.00 0.00 41.96 39.76 2e5n s TYR 83 CO 0.38 -0.59 1.17 -1.12 -1.57 0.00 0.00 175.55 173.82 2e5n s SER 84 N 1.49 1.72 0.63 2.29 0.01 -1.26 -4.36 113.70 114.21 2e5n s SER 84 Ca 0.02 0.56 0.22 0.00 1.31 0.00 0.00 55.95 58.06 2e5n s SER 84 Cb -0.17 -0.78 0.95 0.00 0.21 0.00 0.00 66.02 66.23 2e5n s SER 84 CO 0.03 -3.63 1.47 -0.08 0.41 0.00 0.00 173.24 171.44 2e5n h GLU 85 N -2.24 0.00 0.00 12.44 4.81 -2.00 -1.96 114.58 125.63 2e5n h GLU 85 Ca -0.45 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 2e5n h GLU 85 Cb 1.28 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.66 2e5n h GLU 85 CO 0.37 0.00 -0.43 -0.89 -0.73 0.00 0.00 179.01 177.34 2e5n n ILE 86 N -3.12 0.84 -0.27 2.32 -0.00 -1.26 -4.27 119.36 113.59 2e5n n ILE 86 Ca 0.10 0.32 -0.02 0.00 -0.00 0.00 0.00 62.75 63.15 2e5n n ILE 86 Cb 1.03 -2.00 0.01 0.00 -0.00 0.00 0.00 39.64 38.67 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 -3.62 -0.52 -0.23 4.38 9.92 -0.84 0.61 116.55 126.26 2e5n n ASP 87 Ca -0.06 1.22 -0.07 0.00 -0.53 0.00 0.00 54.79 55.35 2e5n n ASP 87 Cb 0.22 -0.25 -0.02 0.00 -0.64 0.00 0.00 41.12 40.43 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 -0.18 0.00 -1.24 3.08 -1.58 1.02 114.38 115.48 2e5n h ARG 88 Ca 0.21 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.27 2e5n h ARG 88 Cb 0.39 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.47 2e5n h ARG 88 CO -0.68 -0.12 -0.04 0.07 -1.07 0.00 0.00 179.97 178.13 2e5n h ARG 89 N -0.18 0.00 0.00 0.04 0.11 -0.01 -0.42 114.38 113.92 2e5n h ARG 89 Ca 0.20 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.24 2e5n h ARG 89 Cb 0.56 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.63 2e5n h ARG 89 CO -0.73 0.04 -0.60 0.77 0.10 0.00 0.00 179.97 179.56 2e5n h SER 90 N 0.00 0.00 0.18 0.08 0.02 0.33 -3.35 113.55 110.82 2e5n h SER 90 Ca -0.00 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.60 2e5n h SER 90 Cb 0.41 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.92 2e5n h SER 90 CO 0.01 0.18 -2.02 -0.11 -1.14 0.00 0.00 176.83 173.75 2e5n n LEU 91 N -2.97 2.15 0.28 5.07 0.00 0.27 -4.02 117.00 117.79 2e5n n LEU 91 Ca 0.00 0.20 0.13 0.00 0.00 0.00 0.00 56.01 56.35 2e5n n LEU 91 Cb 0.62 -0.72 0.70 0.00 0.00 0.00 0.00 43.42 44.02 2e5n n LEU 91 CO 0.38 0.74 1.03 1.05 0.00 0.00 0.00 177.39 180.59 2e5n h GLU 92 N 0.04 0.00 0.01 1.96 4.11 -1.22 -2.72 114.58 116.76 2e5n h GLU 92 Ca -0.42 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.01 2e5n h GLU 92 Cb 2.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.27 2e5n h GLU 92 CO 0.06 0.00 -0.00 1.03 0.07 0.00 0.00 179.01 180.17 2e5n h SER 93 N 0.00 -0.01 -0.81 3.06 0.87 -1.71 -3.12 113.55 111.83 2e5n h SER 93 Ca 0.00 0.00 0.07 0.00 -1.23 0.00 0.00 61.79 60.63 2e5n h SER 93 Cb 0.58 0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 62.44 2e5n h SER 93 CO 0.00 0.05 -0.48 0.52 -0.53 0.00 0.00 176.83 176.39 2e5n n VAL 94 N -2.37 -0.55 -0.25 2.23 0.31 -1.04 0.21 118.33 116.87 2e5n n VAL 94 Ca -0.00 2.00 0.19 0.00 -0.01 0.00 0.00 64.34 66.52 2e5n n VAL 94 Cb 0.01 -2.47 0.51 0.00 -0.91 0.00 0.00 33.84 30.97 2e5n n VAL 94 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2e5n h LEU 95 N 0.00 0.42 -0.90 7.52 3.38 -1.71 0.59 115.31 124.61 2e5n h LEU 95 Ca 0.13 0.04 -0.09 0.00 0.09 0.00 0.00 57.88 58.06 2e5n h LEU 95 Cb 0.33 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2e5n h LEU 95 CO -0.77 0.16 -0.41 -1.28 0.09 0.00 0.00 178.44 176.24 2e5n h SER 96 N 0.41 0.00 0.84 -0.43 0.87 0.26 0.23 113.55 115.73 2e5n h SER 96 Ca 0.47 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.99 2e5n h SER 96 Cb 1.17 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.12 2e5n h SER 96 CO -0.18 0.41 -1.19 0.54 -0.53 0.00 0.00 176.83 175.87 2e5n n ARG 97 N -3.56 0.61 -0.07 2.24 1.74 0.16 -4.50 116.66 113.28 2e5n n ARG 97 Ca -0.00 0.12 -0.05 0.00 -0.77 0.00 0.00 57.85 57.14 2e5n n ARG 97 Cb 0.53 -1.80 -0.02 0.00 -1.02 0.00 0.00 32.46 30.15 2e5n n ARG 97 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2e5n n LYS 98 N -2.69 0.43 -2.02 5.56 4.76 0.14 -4.77 118.16 119.58 2e5n n LYS 98 Ca -0.03 0.41 -0.31 0.00 -2.87 0.00 0.00 58.31 55.51 2e5n n LYS 98 Cb 0.63 -1.52 -0.04 0.00 -1.84 0.00 0.00 35.03 32.25 2e5n n LYS 98 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2e5n s LEU 99 N -7.80 3.20 0.00 -0.35 1.43 0.78 -5.07 118.68 110.87 2e5n s LEU 99 Ca -0.17 -0.25 0.00 0.00 -1.03 0.00 0.00 54.13 52.67 2e5n s LEU 99 Cb 0.02 -2.55 0.00 0.00 0.03 0.00 0.00 46.19 43.70 2e5n s LEU 99 CO 0.26 -2.66 0.33 -0.46 0.23 0.00 0.00 176.35 174.04