#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 2.00 -0.12 1.61 0.01 -1.26 -5.03 113.70 110.91 2e5n s SER 2 Ca 0.00 -0.25 -0.26 0.00 1.31 0.00 0.00 55.95 56.75 2e5n s SER 2 Cb 0.00 -0.67 -0.27 0.00 0.21 0.00 0.00 66.02 65.29 2e5n s SER 2 CO 0.00 -0.16 0.75 0.77 0.41 0.00 0.00 173.24 175.01 2e5n h SER 3 N 8.24 0.13 -3.98 2.44 4.64 -2.16 -3.50 113.55 119.35 2e5n h SER 3 Ca -0.25 -0.95 0.00 0.00 -0.47 0.00 0.00 61.79 60.12 2e5n h SER 3 Cb 1.13 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 2e5n h SER 3 CO 0.34 1.16 -0.92 0.61 -0.87 0.00 0.00 176.83 177.15 2e5n n GLY 4 N 1.62 -4.38 2.98 -0.77 0.00 -1.26 -5.03 105.19 98.34 2e5n n GLY 4 Ca -0.13 -0.77 -0.13 0.00 0.00 0.00 0.00 46.02 44.99 2e5n n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2e5n s SER 5 N -4.21 -0.11 -0.16 1.61 0.15 -1.26 -5.16 113.70 104.56 2e5n s SER 5 Ca 0.00 0.23 -0.12 0.00 0.70 0.00 0.00 55.95 56.76 2e5n s SER 5 Cb 0.00 0.22 0.05 0.00 -1.71 0.00 0.00 66.02 64.58 2e5n s SER 5 CO 0.00 -0.05 0.40 -0.44 1.20 0.00 0.00 173.24 174.35 2e5n s SER 6 N 0.21 -0.45 -0.42 5.45 0.01 -1.26 -5.09 113.70 112.14 2e5n s SER 6 Ca -0.01 0.84 0.08 0.00 1.31 0.00 0.00 55.95 58.17 2e5n s SER 6 Cb -0.02 0.80 0.28 0.00 0.21 0.00 0.00 66.02 67.29 2e5n s SER 6 CO -0.01 -0.16 0.76 0.61 0.41 0.00 0.00 173.24 174.86 2e5n n GLY 7 N 3.39 1.95 3.36 3.44 0.00 -1.26 -5.13 105.19 110.94 2e5n n GLY 7 Ca -0.17 -0.90 -0.12 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.76 0.00 -0.01 2.61 -4.23 -1.26 -5.07 115.64 106.92 2e5n s THR 8 Ca 0.33 -1.78 -0.18 0.00 -1.18 0.00 0.00 61.69 58.88 2e5n s THR 8 Cb 0.25 -2.43 -0.34 0.00 1.34 0.00 0.00 72.50 71.32 2e5n s THR 8 CO -0.13 0.00 0.94 0.40 -0.54 0.00 0.00 174.62 175.29 2e5n h ILE 9 N 2.41 1.36 -0.28 2.99 1.08 -1.97 -3.35 117.51 119.74 2e5n h ILE 9 Ca -0.31 -2.62 0.07 0.00 -0.39 0.00 0.00 64.86 61.60 2e5n h ILE 9 Cb 1.25 3.10 -0.08 0.00 -3.07 0.00 0.00 36.82 38.02 2e5n h ILE 9 CO 0.45 0.77 -0.28 -1.28 -0.69 0.00 0.00 178.15 177.12 2e5n h SER 10 N -0.08 -0.90 -1.10 1.72 0.87 -1.91 0.20 113.55 112.35 2e5n h SER 10 Ca -0.22 0.16 0.32 0.00 -1.23 0.00 0.00 61.79 60.82 2e5n h SER 10 Cb 1.95 0.42 -0.04 0.00 -0.44 0.00 0.00 62.40 64.28 2e5n h SER 10 CO 0.22 -0.30 1.01 1.56 -0.53 0.00 0.00 176.83 178.79 2e5n h GLN 11 N -0.27 0.00 -7.14 2.24 1.08 -2.00 -3.40 115.11 105.62 2e5n h GLN 11 Ca 0.15 0.00 -0.47 0.00 -1.45 0.00 0.00 58.65 56.88 2e5n h GLN 11 Cb 0.50 0.00 0.03 0.00 -0.05 0.00 0.00 27.48 27.95 2e5n h GLN 11 CO -0.44 0.00 0.37 1.03 -0.95 0.00 0.00 178.83 178.85 2e5n s ARG 12 N -4.65 3.78 0.45 1.46 1.81 0.69 -5.02 118.95 117.46 2e5n s ARG 12 Ca -0.04 1.16 -0.23 0.00 -1.72 0.00 0.00 55.73 54.89 2e5n s ARG 12 Cb 0.18 -2.10 -0.08 0.00 -0.45 0.00 0.00 34.95 32.50 2e5n s ARG 12 CO 0.63 -0.42 1.17 -1.25 -0.68 0.00 0.00 175.30 174.75 2e5n s PRO 13 N -3.71 3.81 0.06 3.54 0.04 -1.26 -4.93 135.00 132.55 2e5n s PRO 13 Ca 0.63 1.79 -0.20 0.00 0.04 0.00 0.00 61.00 63.27 2e5n s PRO 13 Cb -0.13 -2.46 -0.09 0.00 0.04 0.00 0.00 34.50 31.86 2e5n s PRO 13 CO 0.27 -0.51 1.31 -0.92 0.04 0.00 0.00 177.00 177.19 2e5n h TYR 14 N 2.16 -0.85 0.00 0.56 3.20 -1.95 -2.37 116.97 117.73 2e5n h TYR 14 Ca -0.49 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.40 2e5n h TYR 14 Cb 1.24 0.36 0.00 0.00 1.54 0.00 0.00 36.73 39.87 2e5n h TYR 14 CO 0.54 -0.35 0.00 -2.13 -1.64 0.00 0.00 178.16 174.58 2e5n n ARG 15 N -4.13 0.00 -0.39 1.82 0.63 -1.26 -0.21 116.66 113.12 2e5n n ARG 15 Ca -0.05 0.56 -0.05 0.00 -0.92 0.00 0.00 57.85 57.39 2e5n n ARG 15 Cb 0.24 -0.89 -0.01 0.00 0.45 0.00 0.00 32.46 32.24 2e5n n ARG 15 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 2e5n h ASP 16 N 0.00 -1.71 -1.01 6.15 3.58 -1.96 0.91 116.42 122.39 2e5n h ASP 16 Ca 0.00 0.32 0.24 0.00 0.42 0.00 0.00 57.03 58.00 2e5n h ASP 16 Cb 0.00 0.83 -0.12 0.00 1.72 0.00 0.00 39.33 41.76 2e5n h ASP 16 CO 0.00 -0.27 0.61 0.03 -2.88 0.00 0.00 179.24 176.73 2e5n h ARG 17 N -0.01 0.57 0.34 0.28 3.08 -0.03 0.19 114.38 118.80 2e5n h ARG 17 Ca 0.27 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.27 2e5n h ARG 17 Cb 0.53 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.45 2e5n h ARG 17 CO -0.96 0.38 -0.16 0.28 -1.07 0.00 0.00 179.97 178.43 2e5n h VAL 18 N 0.59 0.00 -0.84 2.04 2.07 0.32 -3.03 116.25 117.39 2e5n h VAL 18 Ca 0.63 -0.18 0.20 0.00 0.82 0.00 0.00 66.70 68.16 2e5n h VAL 18 Cb 1.20 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.85 2e5n h VAL 18 CO -0.43 0.00 0.32 0.16 0.02 0.00 0.00 177.57 177.63 2e5n h ILE 19 N -0.64 0.50 -0.33 4.57 3.07 -0.79 0.67 117.51 124.56 2e5n h ILE 19 Ca -0.05 -0.13 0.10 0.00 1.55 0.00 0.00 64.86 66.33 2e5n h ILE 19 Cb 0.35 0.10 -0.01 0.00 -0.27 0.00 0.00 36.82 36.99 2e5n h ILE 19 CO 0.08 0.07 0.32 0.45 -1.05 0.00 0.00 178.15 178.01 2e5n h HIS 20 N 0.36 0.00 0.03 0.16 3.86 -0.69 0.18 115.15 119.06 2e5n h HIS 20 Ca 0.51 0.00 -0.25 0.00 -1.16 0.00 0.00 60.37 59.46 2e5n h HIS 20 Cb 0.92 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.36 2e5n h HIS 20 CO -0.18 0.00 -1.36 -0.07 0.86 0.00 0.00 177.93 177.18 2e5n h LEU 21 N 0.00 0.10 -2.15 2.43 3.38 0.40 -3.37 115.31 116.11 2e5n h LEU 21 Ca 0.16 -0.63 -0.00 0.00 0.09 0.00 0.00 57.88 57.50 2e5n h LEU 21 Cb 0.79 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 2e5n h LEU 21 CO -0.00 1.55 -0.01 -0.07 0.09 0.00 0.00 178.44 180.00 2e5n h LEU 22 N -0.76 0.00 0.19 1.67 3.38 -0.49 -3.05 115.31 116.24 2e5n h LEU 22 Ca -0.35 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.62 2e5n h LEU 22 Cb 1.46 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.19 2e5n h LEU 22 CO -0.13 0.01 -0.26 0.00 0.09 0.00 0.00 178.44 178.14 2e5n h ALA 23 N 1.99 -0.89 -0.96 1.53 0.00 -0.81 -2.50 119.26 117.62 2e5n h ALA 23 Ca -0.00 -0.08 0.27 0.00 0.00 0.00 0.00 54.91 55.10 2e5n h ALA 23 Cb 0.02 0.56 -0.17 0.00 0.00 0.00 0.00 17.79 18.20 2e5n h ALA 23 CO 0.00 -0.93 0.10 -0.07 0.00 0.00 0.00 179.25 178.36 2e5n h LEU 24 N -0.47 -0.33 -7.69 0.00 3.38 -1.71 -3.44 115.31 105.04 2e5n h LEU 24 Ca -0.02 0.26 0.19 0.00 0.09 0.00 0.00 57.88 58.40 2e5n h LEU 24 Cb 0.43 0.43 -0.07 0.00 0.09 0.00 0.00 40.66 41.53 2e5n h LEU 24 CO -0.07 -0.33 0.54 -1.59 0.09 0.00 0.00 178.44 177.08 2e5n s LYS 25 N -5.96 1.16 0.17 1.13 -2.85 -0.94 -5.07 119.74 107.39 2e5n s LYS 25 Ca -0.12 -0.67 -0.30 0.00 -1.00 0.00 0.00 55.97 53.87 2e5n s LYS 25 Cb 0.29 0.38 -0.08 0.00 -2.06 0.00 0.00 37.83 36.35 2e5n s LYS 25 CO 0.78 -0.54 1.25 0.00 0.10 0.00 0.00 175.35 176.94 2e5n s ALA 26 N -2.94 3.47 0.15 0.59 0.00 -1.25 -4.16 121.76 117.63 2e5n s ALA 26 Ca 0.15 1.01 0.09 0.00 0.00 0.00 0.00 51.96 53.20 2e5n s ALA 26 Cb -0.01 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 19.62 2e5n s ALA 26 CO 0.03 -0.45 -0.19 0.71 0.00 0.00 0.00 175.76 175.86 2e5n s TYR 27 N 0.18 1.83 0.08 0.00 1.51 -0.54 -4.84 117.35 115.57 2e5n s TYR 27 Ca 0.55 -0.46 -0.08 0.00 -1.01 0.00 0.00 57.07 56.08 2e5n s TYR 27 Cb -0.34 -0.93 -0.06 0.00 -0.11 0.00 0.00 41.96 40.53 2e5n s TYR 27 CO 0.36 0.31 0.37 0.15 -1.11 0.00 0.00 175.55 175.64 2e5n s LYS 28 N -2.64 3.70 0.16 -0.62 3.01 -1.26 0.21 119.74 122.29 2e5n s LYS 28 Ca 0.14 0.07 -0.15 0.00 -1.01 0.00 0.00 55.97 55.03 2e5n s LYS 28 Cb -0.06 -2.97 0.14 0.00 -1.01 0.00 0.00 37.83 33.93 2e5n s LYS 28 CO 0.06 0.55 1.15 1.17 0.51 0.00 0.00 175.35 178.80 2e5n n LYS 29 N 0.74 -0.20 0.01 1.68 3.00 -1.26 0.59 118.16 122.71 2e5n n LYS 29 Ca -0.07 1.14 -0.13 0.00 -0.00 0.00 0.00 58.31 59.25 2e5n n LYS 29 Cb 0.52 -1.69 -0.10 0.00 0.00 0.00 0.00 35.03 33.76 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 -0.05 0.30 1.64 0.13 -1.97 -3.18 132.00 128.88 2e5n h PRO 30 Ca 0.24 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.36 2e5n h PRO 30 Cb 0.42 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.55 2e5n h PRO 30 CO -0.73 0.42 -0.34 1.49 -0.23 0.00 0.00 178.00 178.61 2e5n h GLU 31 N -0.54 -0.63 -0.92 0.86 4.81 -1.25 -2.33 114.58 114.59 2e5n h GLU 31 Ca -0.01 0.04 0.29 0.00 -0.13 0.00 0.00 59.36 59.55 2e5n h GLU 31 Cb 0.49 0.14 -0.17 0.00 0.63 0.00 0.00 28.75 29.84 2e5n h GLU 31 CO 0.01 -0.42 0.13 -0.11 -0.73 0.00 0.00 179.01 177.89 2e5n n LEU 32 N -4.42 -0.01 0.29 1.64 0.00 0.20 0.04 117.00 114.73 2e5n n LEU 32 Ca -0.08 1.56 -0.17 0.00 0.00 0.00 0.00 56.01 57.32 2e5n n LEU 32 Cb 0.30 -0.61 -0.08 0.00 0.00 0.00 0.00 43.42 43.03 2e5n n LEU 32 CO 0.17 -1.62 0.61 -0.07 0.00 0.00 0.00 177.39 176.48 2e5n h LEU 33 N 0.00 -1.00 -1.05 -1.96 3.38 -1.40 -2.17 115.31 111.11 2e5n h LEU 33 Ca 0.61 0.07 0.37 0.00 0.09 0.00 0.00 57.88 59.03 2e5n h LEU 33 Cb 1.37 0.32 -0.12 0.00 0.09 0.00 0.00 40.66 42.32 2e5n h LEU 33 CO -0.83 -0.56 0.66 0.00 0.09 0.00 0.00 178.44 177.80 2e5n n ALA 34 N -2.65 1.04 -0.05 1.53 0.00 0.11 0.21 120.51 120.71 2e5n n ALA 34 Ca -0.11 0.71 -0.14 0.00 0.00 0.00 0.00 53.44 53.90 2e5n n ALA 34 Cb 0.39 -0.84 -0.08 0.00 0.00 0.00 0.00 19.45 18.92 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 0.33 0.15 0.00 2.47 -1.31 -3.10 114.38 112.92 2e5n h ARG 35 Ca 0.70 -0.20 -0.01 0.00 -1.26 0.00 0.00 59.98 59.21 2e5n h ARG 35 Cb 2.18 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 30.52 2e5n h ARG 35 CO -0.41 0.78 -0.07 -0.07 0.56 0.00 0.00 179.97 180.75 2e5n h LEU 36 N -0.09 -0.17 -1.26 3.04 3.38 0.26 -3.29 115.31 117.19 2e5n h LEU 36 Ca 0.01 -0.23 0.45 0.00 0.09 0.00 0.00 57.88 58.19 2e5n h LEU 36 Cb 0.75 0.04 -0.14 0.00 0.09 0.00 0.00 40.66 41.40 2e5n h LEU 36 CO 0.04 0.40 0.79 0.00 0.09 0.00 0.00 178.44 179.76 2e5n n GLN 37 N -4.89 -0.04 -0.05 1.13 1.13 0.21 -0.26 117.38 114.62 2e5n n GLN 37 Ca -0.05 1.21 -0.14 0.00 -1.94 0.00 0.00 57.00 56.08 2e5n n GLN 37 Cb 0.19 -2.35 -0.09 0.00 0.11 0.00 0.00 30.24 28.11 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 -0.48 0.00 -1.09 1.57 -1.60 0.12 116.57 115.09 2e5n h LYS 38 Ca 0.83 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.65 2e5n h LYS 38 Cb 2.62 0.11 0.00 0.00 0.08 0.00 0.00 32.23 35.04 2e5n h LYS 38 CO -0.48 -0.32 0.00 0.22 -0.57 0.00 0.00 179.45 178.30 2e5n h ASP 39 N -0.49 0.00 0.00 0.86 3.58 -0.80 -3.48 116.42 116.09 2e5n h ASP 39 Ca 0.06 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.51 2e5n h ASP 39 Cb 0.64 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.69 2e5n h ASP 39 CO -0.49 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.48 2e5n n GLY 40 N 0.82 3.78 2.84 -0.78 0.00 0.03 -4.88 105.19 107.00 2e5n n GLY 40 Ca 0.04 -0.93 -0.26 0.00 0.00 0.00 0.00 46.02 44.87 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 0.80 0.71 1.61 1.01 -1.26 -4.53 120.40 118.75 2e5n s VAL 41 Ca 0.00 -0.30 -0.16 0.00 0.00 0.00 0.00 61.98 61.52 2e5n s VAL 41 Cb 0.00 -0.97 0.01 0.00 0.00 0.00 0.00 36.38 35.43 2e5n s VAL 41 CO 0.00 0.20 1.14 0.59 0.00 0.00 0.00 175.10 177.03 2e5n n ASN 42 N 5.00 1.21 -0.04 3.32 3.02 -1.26 -4.88 115.26 121.63 2e5n n ASN 42 Ca -0.10 0.72 -0.14 0.00 -0.03 0.00 0.00 54.58 55.03 2e5n n ASN 42 Cb 0.49 -1.48 -0.11 0.00 -0.61 0.00 0.00 39.78 38.06 2e5n n ASN 42 CO 0.00 0.00 0.00 -0.61 -2.62 0.00 0.00 177.26 174.03 2e5n h GLN 43 N -0.07 0.04 -0.15 3.52 4.15 -2.00 -1.95 115.11 118.64 2e5n h GLN 43 Ca -0.48 -0.04 0.04 0.00 0.77 0.00 0.00 58.65 58.94 2e5n h GLN 43 Cb 1.33 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 29.02 2e5n h GLN 43 CO 0.49 0.75 0.22 1.57 -1.93 0.00 0.00 178.83 179.93 2e5n h LYS 44 N -0.65 0.00 0.07 1.69 2.10 -2.03 -0.32 116.57 117.43 2e5n h LYS 44 Ca -0.00 0.00 -0.31 0.00 -2.00 0.00 0.00 60.65 58.33 2e5n h LYS 44 Cb 0.76 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.06 2e5n h LYS 44 CO 0.01 0.00 -1.70 -0.44 -2.00 0.00 0.00 179.45 175.32 2e5n h ASP 45 N 0.00 0.22 -0.79 7.07 3.32 -1.93 -3.30 116.42 121.01 2e5n h ASP 45 Ca 0.07 -0.41 0.16 0.00 0.02 0.00 0.00 57.03 56.88 2e5n h ASP 45 Cb 0.52 -0.07 -0.15 0.00 0.22 0.00 0.00 39.33 39.84 2e5n h ASP 45 CO -0.00 1.36 -0.18 0.11 -1.72 0.00 0.00 179.24 178.81 2e5n h LYS 46 N 0.04 0.01 -0.19 3.56 1.57 -0.23 0.67 116.57 121.99 2e5n h LYS 46 Ca -0.30 -0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.31 2e5n h LYS 46 Cb 2.01 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 34.31 2e5n h LYS 46 CO 0.11 0.00 -0.60 -0.97 -0.57 0.00 0.00 179.45 177.42 2e5n h ASN 47 N 0.01 0.71 0.26 0.86 -1.24 -1.72 -3.04 115.58 111.42 2e5n h ASN 47 Ca 0.39 -0.40 -0.05 0.00 0.71 0.00 0.00 56.30 56.95 2e5n h ASN 47 Cb 0.60 -0.21 -0.01 0.00 0.73 0.00 0.00 38.32 39.44 2e5n h ASN 47 CO -0.81 1.14 -0.23 0.28 -1.29 0.00 0.00 177.43 176.53 2e5n h SER 48 N 0.47 0.00 -0.45 1.15 0.02 -0.65 -3.09 113.55 111.01 2e5n h SER 48 Ca -0.00 0.00 0.08 0.00 -0.84 0.00 0.00 61.79 61.03 2e5n h SER 48 Cb 1.17 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 63.61 2e5n h SER 48 CO 0.12 0.23 -0.35 0.25 -1.14 0.00 0.00 176.83 175.93 2e5n h LEU 49 N 0.00 -1.19 -1.69 5.07 6.46 0.28 0.26 115.31 124.49 2e5n h LEU 49 Ca -0.00 0.21 0.33 0.00 -0.12 0.00 0.00 57.88 58.30 2e5n h LEU 49 Cb 0.42 0.56 -0.08 0.00 -0.73 0.00 0.00 40.66 40.83 2e5n h LEU 49 CO 0.03 -0.33 0.80 1.23 -0.62 0.00 0.00 178.44 179.56 2e5n h GLY 50 N -0.25 0.60 0.80 3.75 0.00 -1.69 0.16 103.07 106.43 2e5n h GLY 50 Ca 0.18 -0.09 -0.18 0.00 0.00 0.00 0.00 47.33 47.24 2e5n h GLY 50 CO -0.58 -0.10 -0.74 0.00 0.00 0.00 0.00 176.54 175.12 2e5n h ALA 51 N 1.49 0.01 -0.70 3.60 0.00 -0.70 -3.29 119.26 119.67 2e5n h ALA 51 Ca 0.62 -0.63 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2e5n h ALA 51 Cb 2.07 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.89 2e5n h ALA 51 CO -0.16 0.39 0.39 0.82 0.00 0.00 0.00 179.25 180.69 2e5n h ILE 52 N -0.16 1.21 -0.85 0.00 2.04 0.44 -1.66 117.51 118.53 2e5n h ILE 52 Ca -0.11 -0.53 0.18 0.00 1.00 0.00 0.00 64.86 65.40 2e5n h ILE 52 Cb 1.48 0.29 -0.06 0.00 -0.74 0.00 0.00 36.82 37.79 2e5n h ILE 52 CO 0.14 0.23 0.57 -0.07 0.00 0.00 0.00 178.15 179.02 2e5n h LEU 53 N 0.96 0.42 0.00 1.44 3.38 -1.02 0.47 115.31 120.96 2e5n h LEU 53 Ca 0.25 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.25 2e5n h LEU 53 Cb 0.03 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.73 2e5n h LEU 53 CO -0.04 0.19 -0.56 1.56 0.09 0.00 0.00 178.44 179.68 2e5n h GLN 54 N 0.43 0.00 0.00 1.13 1.08 -1.47 1.25 115.11 117.53 2e5n h GLN 54 Ca 0.44 0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 57.50 2e5n h GLN 54 Cb 1.03 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.44 2e5n h GLN 54 CO -0.16 0.00 -1.13 1.96 -0.95 0.00 0.00 178.83 178.55 2e5n h GLN 55 N 0.00 0.00 0.00 1.46 4.20 0.66 -3.39 115.11 118.03 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 0.83 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.61 2e5n h GLN 55 CO 0.00 0.32 -0.80 1.33 -0.67 0.00 0.00 178.83 179.01 2e5n n VAL 56 N -2.96 0.00 -4.64 -0.54 0.24 0.80 -5.05 118.33 106.18 2e5n n VAL 56 Ca -0.06 0.00 -0.29 0.00 -2.04 0.00 0.00 64.34 61.95 2e5n n VAL 56 Cb 0.79 0.13 -0.08 0.00 -1.47 0.00 0.00 33.84 33.21 2e5n n VAL 56 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2e5n s ALA 57 N -1.65 3.51 -0.05 2.33 0.00 0.43 0.10 121.76 126.43 2e5n s ALA 57 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.08 2e5n s ALA 57 Cb 0.00 0.36 0.02 0.00 0.00 0.00 0.00 23.12 23.51 2e5n s ALA 57 CO 0.00 -0.17 -0.04 -0.80 0.00 0.00 0.00 175.76 174.75 2e5n s ASN 58 N -3.74 1.16 -0.05 0.00 0.01 0.17 -3.67 114.94 108.82 2e5n s ASN 58 Ca 0.16 -0.13 -0.30 0.00 -0.71 0.00 0.00 52.86 51.88 2e5n s ASN 58 Cb 0.03 -0.47 -0.02 0.00 0.41 0.00 0.00 41.25 41.19 2e5n s ASN 58 CO 0.09 -0.09 1.03 -0.22 -1.51 0.00 0.00 177.10 176.41 2e5n s LEU 59 N 1.17 4.30 -0.48 0.60 0.20 -1.26 -0.26 118.68 122.95 2e5n s LEU 59 Ca -0.07 1.65 -0.11 0.00 0.69 0.00 0.00 54.13 56.29 2e5n s LEU 59 Cb -0.14 -3.56 0.12 0.00 -0.43 0.00 0.00 46.19 42.18 2e5n s LEU 59 CO -0.01 -0.39 0.38 0.21 -0.29 0.00 0.00 176.35 176.24 2e5n s ASN 60 N 1.10 5.82 0.62 3.68 3.84 -0.82 -4.92 114.94 124.25 2e5n s ASN 60 Ca 0.51 -1.86 0.23 0.00 0.21 0.00 0.00 52.86 51.96 2e5n s ASN 60 Cb -0.21 -2.06 0.93 0.00 -0.55 0.00 0.00 41.25 39.36 2e5n s ASN 60 CO 0.23 -0.72 1.40 0.77 -2.79 0.00 0.00 177.10 175.99 2e5n h SER 61 N 8.55 0.00 -0.02 -4.21 4.64 -1.94 0.48 113.55 121.06 2e5n h SER 61 Ca -0.23 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.09 2e5n h SER 61 Cb 1.08 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.15 2e5n h SER 61 CO 0.90 0.00 -0.16 0.50 -0.87 0.00 0.00 176.83 177.20 2e5n h LYS 62 N 0.00 -0.18 -0.21 4.77 3.64 -1.95 -3.25 116.57 119.39 2e5n h LYS 62 Ca 0.34 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.73 2e5n h LYS 62 Cb 2.35 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 34.21 2e5n h LYS 62 CO -0.00 -0.12 0.00 -0.25 -2.27 0.00 0.00 179.45 176.81 2e5n n ASP 63 N -3.37 2.70 -2.25 4.20 9.92 -0.61 -4.96 116.55 122.18 2e5n n ASP 63 Ca -0.02 -2.16 -0.17 0.00 -0.53 0.00 0.00 54.79 51.91 2e5n n ASP 63 Cb 0.11 -0.20 -0.02 0.00 -0.64 0.00 0.00 41.12 40.37 2e5n n ASP 63 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2e5n n LEU 64 N -0.01 -1.52 -4.75 0.64 4.77 0.16 -4.95 117.00 111.34 2e5n n LEU 64 Ca 0.09 0.14 -0.36 0.00 -0.03 0.00 0.00 56.01 55.86 2e5n n LEU 64 Cb 0.43 -2.56 -0.08 0.00 -2.33 0.00 0.00 43.42 38.88 2e5n n LEU 64 CO 0.06 -0.31 -0.25 -0.94 -1.33 0.00 0.00 177.39 174.62 2e5n s SER 65 N -2.11 5.68 -0.17 -1.43 1.04 -1.23 -4.67 113.70 110.81 2e5n s SER 65 Ca 0.00 0.25 -0.26 0.00 0.48 0.00 0.00 55.95 56.42 2e5n s SER 65 Cb 0.00 -1.73 -0.01 0.00 0.10 0.00 0.00 66.02 64.38 2e5n s SER 65 CO 0.00 0.37 0.86 -0.31 0.98 0.00 0.00 173.24 175.14 2e5n s TYR 66 N -0.82 3.42 -0.22 5.02 2.02 0.13 -1.94 117.35 124.96 2e5n s TYR 66 Ca 0.13 1.30 -0.07 0.00 -0.37 0.00 0.00 57.07 58.06 2e5n s TYR 66 Cb -0.12 -3.05 -0.03 0.00 -0.40 0.00 0.00 41.96 38.36 2e5n s TYR 66 CO 0.03 -0.26 0.06 0.95 -1.57 0.00 0.00 175.55 174.75 2e5n s THR 67 N 2.22 4.42 0.17 -0.71 -4.23 0.63 -1.46 115.64 116.68 2e5n s THR 67 Ca 0.40 -0.15 -0.33 0.00 -1.18 0.00 0.00 61.69 60.43 2e5n s THR 67 Cb -0.17 -3.03 -0.13 0.00 1.34 0.00 0.00 72.50 70.52 2e5n s THR 67 CO 0.12 0.40 1.67 -0.11 -0.54 0.00 0.00 174.62 176.16 2e5n n LEU 68 N 4.30 3.56 0.00 4.79 0.00 -1.26 0.45 117.00 128.85 2e5n n LEU 68 Ca -0.16 1.06 -0.14 0.00 0.00 0.00 0.00 56.01 56.77 2e5n n LEU 68 Cb 0.52 -1.50 0.13 0.00 0.00 0.00 0.00 43.42 42.57 2e5n n LEU 68 CO 0.33 -0.04 0.15 0.29 0.00 0.00 0.00 177.39 178.11 2e5n n LYS 69 N 3.89 -1.65 -0.10 1.96 5.02 0.11 -4.85 118.16 122.55 2e5n n LYS 69 Ca 0.17 -0.65 -0.17 0.00 -2.02 0.00 0.00 58.31 55.63 2e5n n LYS 69 Cb 0.32 -1.16 -0.13 0.00 -0.02 0.00 0.00 35.03 34.04 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 -2.10 1.74 -0.07 4.39 5.75 -1.26 -4.34 116.55 120.66 2e5n n ASP 70 Ca 0.06 -0.04 -0.13 0.00 -0.01 0.00 0.00 54.79 54.67 2e5n n ASP 70 Cb 0.27 -0.32 -0.06 0.00 -1.03 0.00 0.00 41.12 39.98 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 0.01 0.59 -1.02 2.11 -0.00 -1.94 -3.02 116.97 113.70 2e5n h TYR 71 Ca -0.54 -0.17 0.28 0.00 -0.00 0.00 0.00 58.73 58.30 2e5n h TYR 71 Cb 1.97 -0.13 -0.06 0.00 -0.00 0.00 0.00 36.73 38.52 2e5n h TYR 71 CO 0.03 0.84 0.71 0.28 -0.00 0.00 0.00 178.16 180.02 2e5n h VAL 72 N 0.18 0.52 -1.16 -0.90 2.07 -1.87 0.97 116.25 116.05 2e5n h VAL 72 Ca 0.04 -0.05 0.33 0.00 0.82 0.00 0.00 66.70 67.83 2e5n h VAL 72 Cb 0.73 0.36 -0.08 0.00 -1.52 0.00 0.00 31.29 30.78 2e5n h VAL 72 CO 0.05 0.03 0.79 -0.26 0.02 0.00 0.00 177.57 178.19 2e5n h PHE 73 N 0.14 0.36 -0.01 1.57 0.04 -1.72 0.92 116.94 118.24 2e5n h PHE 73 Ca 0.51 0.01 -0.17 0.00 2.80 0.00 0.00 57.97 61.13 2e5n h PHE 73 Cb 1.76 -0.10 -0.02 0.00 2.20 0.00 0.00 35.95 39.79 2e5n h PHE 73 CO -0.00 -0.00 -0.76 1.57 -0.60 0.00 0.00 178.31 178.52 2e5n h LYS 74 N 0.18 0.09 0.00 1.51 2.10 -0.99 -3.00 116.57 116.46 2e5n h LYS 74 Ca 0.62 -0.08 0.00 0.00 -2.00 0.00 0.00 60.65 59.19 2e5n h LYS 74 Cb 2.02 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 33.37 2e5n h LYS 74 CO -0.19 0.80 0.00 0.93 -2.00 0.00 0.00 179.45 178.99 2e5n h GLU 75 N 0.06 0.00 -7.19 0.07 5.08 0.77 -3.44 114.58 109.91 2e5n h GLU 75 Ca -0.02 0.00 -0.40 0.00 -1.00 0.00 0.00 59.36 57.94 2e5n h GLU 75 Cb 1.33 0.00 0.21 0.00 0.50 0.00 0.00 28.75 30.79 2e5n h GLU 75 CO 0.11 0.00 -0.01 -0.51 -1.00 0.00 0.00 179.01 177.60 2e5n s LEU 76 N -5.91 -0.27 -0.11 1.33 1.43 -0.88 -5.07 118.68 109.20 2e5n s LEU 76 Ca 0.02 0.78 -0.05 0.00 -1.03 0.00 0.00 54.13 53.86 2e5n s LEU 76 Cb 0.09 -2.35 0.05 0.00 0.03 0.00 0.00 46.19 44.01 2e5n s LEU 76 CO 0.53 -4.81 0.23 -1.10 0.23 0.00 0.00 176.35 171.43 2e5n s GLN 77 N -5.19 0.15 0.47 1.70 -0.21 -1.26 -5.01 119.66 110.30 2e5n s GLN 77 Ca 0.70 0.59 0.32 0.00 0.02 0.00 0.00 55.36 56.98 2e5n s GLN 77 Cb -0.12 -0.12 1.46 0.00 1.00 0.00 0.00 33.01 35.23 2e5n s GLN 77 CO 0.57 -0.22 1.95 0.00 -2.12 0.00 0.00 175.29 175.47 2e5n h ARG 78 N 7.70 0.00 -0.00 2.91 3.08 -1.97 -1.36 114.38 124.73 2e5n h ARG 78 Ca -0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.76 2e5n h ARG 78 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.19 2e5n h ARG 78 CO 0.27 0.00 -0.01 -3.47 -1.07 0.00 0.00 179.97 175.69 2e5n n ASP 79 N -2.75 0.05 -4.64 7.04 2.03 -1.26 -4.88 116.55 112.14 2e5n n ASP 79 Ca -0.00 -0.23 -0.48 0.00 0.52 0.00 0.00 54.79 54.59 2e5n n ASP 79 Cb 0.20 -0.25 -0.05 0.00 -0.72 0.00 0.00 41.12 40.31 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 -1.24 1.99 0.20 -0.67 -0.00 -0.52 -4.87 117.44 112.34 2e5n n TRP 80 Ca 0.15 0.41 0.06 0.00 -0.00 0.00 0.00 57.50 58.12 2e5n n TRP 80 Cb 0.24 -2.46 0.41 0.00 -0.00 0.00 0.00 31.31 29.50 2e5n n TRP 80 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 177.69 176.69 2e5n h PRO 81 N 5.33 0.00 -0.12 5.87 0.13 -1.90 -3.00 132.00 138.31 2e5n h PRO 81 Ca -0.46 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.71 2e5n h PRO 81 Cb 1.28 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.41 2e5n h PRO 81 CO 0.84 0.33 0.24 0.78 -0.23 0.00 0.00 178.00 179.96 2e5n h GLY 82 N 1.63 0.00 -7.26 1.56 0.00 -1.97 -3.38 103.07 93.65 2e5n h GLY 82 Ca -0.00 0.00 -0.65 0.00 0.00 0.00 0.00 47.33 46.68 2e5n h GLY 82 CO 0.04 0.00 -0.16 -0.19 0.00 0.00 0.00 176.54 176.23 2e5n s TYR 83 N -4.38 3.20 0.74 5.60 2.02 -1.13 -4.99 117.35 118.41 2e5n s TYR 83 Ca -0.04 0.14 -0.12 0.00 -0.37 0.00 0.00 57.07 56.68 2e5n s TYR 83 Cb 0.13 -2.78 0.18 0.00 -0.40 0.00 0.00 41.96 39.09 2e5n s TYR 83 CO 0.44 -0.45 0.81 0.43 -1.57 0.00 0.00 175.55 175.21 2e5n n SER 84 N 5.55 -0.83 0.14 2.29 7.64 -1.26 -4.37 113.62 122.77 2e5n n SER 84 Ca -0.07 -1.13 0.18 0.00 1.01 0.00 0.00 58.87 58.86 2e5n n SER 84 Cb 0.49 -0.68 0.66 0.00 -1.01 0.00 0.00 64.21 63.67 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 4.57 -1.97 -2.01 114.58 116.59 2e5n h GLU 85 Ca -0.28 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.90 2e5n h GLU 85 Cb 0.82 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.41 2e5n h GLU 85 CO 0.19 0.00 -0.47 -0.89 -1.18 0.00 0.00 179.01 176.66 2e5n n ILE 86 N -3.28 0.83 -0.28 2.32 -0.00 -1.26 -4.31 119.36 113.37 2e5n n ILE 86 Ca 0.06 0.31 -0.01 0.00 -0.00 0.00 0.00 62.75 63.11 2e5n n ILE 86 Cb 0.72 -1.99 0.02 0.00 -0.00 0.00 0.00 39.64 38.39 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 -3.60 -0.49 -0.24 4.38 9.92 -1.08 0.10 116.55 125.54 2e5n n ASP 87 Ca -0.07 1.26 -0.02 0.00 -0.53 0.00 0.00 54.79 55.44 2e5n n ASP 87 Cb 0.24 -0.28 0.05 0.00 -0.64 0.00 0.00 41.12 40.49 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 -0.07 0.00 -1.24 3.08 -1.57 0.97 114.38 115.55 2e5n h ARG 88 Ca 0.24 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.28 2e5n h ARG 88 Cb 0.42 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.49 2e5n h ARG 88 CO -0.71 -0.05 -0.08 0.07 -1.07 0.00 0.00 179.97 178.13 2e5n h ARG 89 N -0.07 0.00 0.00 0.04 0.11 0.51 -2.22 114.38 112.75 2e5n h ARG 89 Ca 0.30 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.38 2e5n h ARG 89 Cb 0.55 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.63 2e5n h ARG 89 CO -0.74 0.08 -0.43 0.77 0.10 0.00 0.00 179.97 179.75 2e5n h SER 90 N 0.00 0.00 0.07 0.08 0.02 0.35 -3.35 113.55 110.71 2e5n h SER 90 Ca -0.00 -0.10 -0.34 0.00 -0.84 0.00 0.00 61.79 60.50 2e5n h SER 90 Cb 0.68 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.19 2e5n h SER 90 CO 0.01 0.05 -1.91 -0.11 -1.14 0.00 0.00 176.83 173.73 2e5n n LEU 91 N -2.35 2.44 0.33 5.07 0.00 0.27 -4.06 117.00 118.69 2e5n n LEU 91 Ca 0.04 0.23 0.10 0.00 0.00 0.00 0.00 56.01 56.38 2e5n n LEU 91 Cb 0.46 -1.04 0.54 0.00 0.00 0.00 0.00 43.42 43.39 2e5n n LEU 91 CO 0.35 0.70 1.07 1.05 0.00 0.00 0.00 177.39 180.56 2e5n h GLU 92 N -0.28 0.00 0.29 1.96 4.11 -1.54 -1.33 114.58 117.79 2e5n h GLU 92 Ca -0.44 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 58.97 2e5n h GLU 92 Cb 1.81 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.06 2e5n h GLU 92 CO -0.04 0.00 -0.14 1.03 0.07 0.00 0.00 179.01 179.93 2e5n h SER 93 N 0.00 -0.33 -0.42 3.06 0.87 -1.72 -2.92 113.55 112.08 2e5n h SER 93 Ca 0.00 0.01 0.06 0.00 -1.23 0.00 0.00 61.79 60.63 2e5n h SER 93 Cb 1.09 0.09 -0.09 0.00 -0.44 0.00 0.00 62.40 63.05 2e5n h SER 93 CO 0.00 0.03 -0.49 0.58 -0.53 0.00 0.00 176.83 176.42 2e5n h VAL 94 N -0.92 0.06 -0.96 2.23 2.07 -1.43 0.33 116.25 117.63 2e5n h VAL 94 Ca -0.04 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.72 2e5n h VAL 94 Cb 0.30 0.06 -0.06 0.00 -1.52 0.00 0.00 31.29 30.06 2e5n h VAL 94 CO 0.07 0.00 0.65 -0.07 0.02 0.00 0.00 177.57 178.23 2e5n h LEU 95 N -0.35 0.28 -0.31 2.57 3.38 -1.66 0.18 115.31 119.40 2e5n h LEU 95 Ca 0.11 0.04 -0.13 0.00 0.09 0.00 0.00 57.88 57.99 2e5n h LEU 95 Cb 0.59 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 2e5n h LEU 95 CO -0.60 0.09 -0.31 -1.28 0.09 0.00 0.00 178.44 176.44 2e5n h SER 96 N 0.27 0.80 -0.15 -0.43 0.87 -0.20 0.10 113.55 114.81 2e5n h SER 96 Ca 0.50 -0.47 -0.06 0.00 -1.23 0.00 0.00 61.79 60.52 2e5n h SER 96 Cb 1.47 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 63.21 2e5n h SER 96 CO -0.15 1.11 -0.15 0.03 -0.53 0.00 0.00 176.83 177.14 2e5n h ARG 97 N 0.51 0.36 0.11 2.24 3.08 0.73 -3.37 114.38 118.04 2e5n h ARG 97 Ca 0.05 -0.19 -0.01 0.00 0.07 0.00 0.00 59.98 59.90 2e5n h ARG 97 Cb 0.88 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.94 2e5n h ARG 97 CO 0.08 0.75 -0.05 0.87 -1.07 0.00 0.00 179.97 180.54 2e5n h LYS 98 N -0.00 -0.14 -5.64 0.04 1.79 -0.83 -3.39 116.57 108.39 2e5n h LYS 98 Ca 0.02 0.01 -0.27 0.00 -2.18 0.00 0.00 60.65 58.23 2e5n h LYS 98 Cb 0.68 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.34 2e5n h LYS 98 CO 0.04 -0.09 0.75 -0.51 -1.08 0.00 0.00 179.45 178.56 2e5n s LEU 99 N -5.09 3.13 0.00 2.94 1.43 0.35 -5.08 118.68 116.36 2e5n s LEU 99 Ca -0.02 -0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.03 2e5n s LEU 99 Cb 0.00 -2.54 0.00 0.00 0.03 0.00 0.00 46.19 43.68 2e5n s LEU 99 CO 0.06 -3.04 0.33 -0.46 0.23 0.00 0.00 176.35 173.47