#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e0m s GLU 2 N 0.00 0.19 0.58 -1.58 2.12 -1.26 -5.11 118.70 113.64 2e0m s GLU 2 Ca 0.00 0.44 -0.08 0.00 0.36 0.00 0.00 54.97 55.68 2e0m s GLU 2 Cb 0.00 -0.07 -0.03 0.00 0.26 0.00 0.00 34.13 34.29 2e0m s GLU 2 CO 0.00 -0.13 0.94 -1.54 -0.54 0.00 0.00 175.26 173.99 2e0m s SER 3 N 0.95 6.06 0.23 -1.70 1.04 -1.26 -4.88 113.70 114.14 2e0m s SER 3 Ca -0.07 1.12 -0.07 0.00 0.48 0.00 0.00 55.95 57.41 2e0m s SER 3 Cb -0.08 -2.23 0.29 0.00 0.10 0.00 0.00 66.02 64.10 2e0m s SER 3 CO -0.06 -0.85 1.84 0.03 0.98 0.00 0.00 173.24 175.18 2e0m h ARG 4 N -0.15 0.84 -0.56 4.02 2.47 -1.97 0.12 114.38 119.15 2e0m h ARG 4 Ca -0.45 -0.05 -0.09 0.00 -1.26 0.00 0.00 59.98 58.12 2e0m h ARG 4 Cb 1.21 -0.19 -0.02 0.00 -1.65 0.00 0.00 29.97 29.32 2e0m h ARG 4 CO 0.62 0.56 -0.01 0.00 0.56 0.00 0.00 179.97 181.69 2e0m h ALA 5 N 1.38 0.75 -0.39 0.04 0.00 -1.88 -0.45 119.26 118.71 2e0m h ALA 5 Ca 0.34 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 2e0m h ALA 5 Cb 0.17 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2e0m h ALA 5 CO -0.17 0.59 -0.08 -0.22 0.00 0.00 0.00 179.25 179.37 2e0m h LYS 6 N 0.87 0.75 -0.88 0.00 1.63 -1.79 -2.30 116.57 114.85 2e0m h LYS 6 Ca 0.16 -0.28 0.02 0.00 -0.85 0.00 0.00 60.65 59.70 2e0m h LYS 6 Cb 0.56 -0.05 -0.05 0.00 -0.60 0.00 0.00 32.23 32.09 2e0m h LYS 6 CO 0.03 0.88 0.58 -0.22 -3.45 0.00 0.00 179.45 177.26 2e0m h LYS 7 N 0.56 1.11 -0.40 1.90 3.64 -0.57 -0.45 116.57 122.35 2e0m h LYS 7 Ca 0.10 -0.07 0.03 0.00 -1.27 0.00 0.00 60.65 59.44 2e0m h LYS 7 Cb 0.59 -0.25 -0.03 0.00 -0.41 0.00 0.00 32.23 32.13 2e0m h LYS 7 CO 0.04 0.73 0.21 0.35 -2.27 0.00 0.00 179.45 178.51 2e0m h PHE 8 N 1.14 0.40 -0.37 1.91 3.57 -0.90 -0.22 116.94 122.47 2e0m h PHE 8 Ca 0.34 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.85 2e0m h PHE 8 Cb -0.06 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.55 2e0m h PHE 8 CO -0.01 0.22 0.22 1.96 -2.23 0.00 0.00 178.31 178.47 2e0m h GLN 9 N 0.43 0.51 -0.44 1.11 4.20 -0.83 0.16 115.11 120.24 2e0m h GLN 9 Ca 0.17 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 2e0m h GLN 9 Cb 0.05 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 2e0m h GLN 9 CO -0.10 0.38 0.23 -0.09 -0.67 0.00 0.00 178.83 178.58 2e0m h ARG 10 N 0.48 0.63 0.01 1.46 2.43 -0.84 -1.60 114.38 116.95 2e0m h ARG 10 Ca 0.13 -0.08 -0.21 0.00 -0.81 0.00 0.00 59.98 59.01 2e0m h ARG 10 Cb 0.01 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.42 2e0m h ARG 10 CO -0.02 0.52 -0.97 1.96 -1.51 0.00 0.00 179.97 179.94 2e0m h GLN 11 N 0.58 0.03 0.00 0.20 4.20 -0.91 -3.42 115.11 115.79 2e0m h GLN 11 Ca 0.15 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.81 2e0m h GLN 11 Cb 0.08 0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.88 2e0m h GLN 11 CO -0.02 0.98 -0.08 0.72 -0.67 0.00 0.00 178.83 179.75 2e0m n HIS 12 N -3.43 0.00 -3.81 2.96 8.25 0.53 -4.67 115.22 115.05 2e0m n HIS 12 Ca -0.01 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.10 2e0m n HIS 12 Cb 0.90 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.93 2e0m n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2e0m s MET 13 N -0.81 4.02 -0.40 -0.41 -1.94 -0.61 0.25 119.30 119.40 2e0m s MET 13 Ca 0.00 -0.23 0.06 0.00 -1.71 0.00 0.00 55.69 53.81 2e0m s MET 13 Cb 0.00 -3.34 0.21 0.00 2.01 0.00 0.00 34.83 33.71 2e0m s MET 13 CO 0.00 0.37 0.43 -3.47 -0.01 0.00 0.00 175.02 172.34 2e0m n ASP 14 N 3.27 -0.18 0.16 3.03 2.03 0.12 -4.81 116.55 120.18 2e0m n ASP 14 Ca -0.17 -2.53 0.01 0.00 0.52 0.00 0.00 54.79 52.62 2e0m n ASP 14 Cb 0.52 -0.58 0.27 0.00 -0.72 0.00 0.00 41.12 40.61 2e0m n ASP 14 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2e0m h SER 15 N 4.81 0.00 -0.51 1.67 0.02 -1.71 -3.32 113.55 114.52 2e0m h SER 15 Ca 0.17 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 2e0m h SER 15 Cb 0.90 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.44 2e0m h SER 15 CO 0.41 0.49 0.00 0.47 -1.14 0.00 0.00 176.83 177.07 2e0m n ASP 16 N -3.92 4.36 -4.56 3.07 8.00 -1.26 -4.58 116.55 117.65 2e0m n ASP 16 Ca -0.01 -2.53 -0.25 0.00 0.71 0.00 0.00 54.79 52.71 2e0m n ASP 16 Cb 0.51 -0.52 -0.09 0.00 -0.02 0.00 0.00 41.12 41.00 2e0m n ASP 16 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2e0m s SER 17 N -1.14 4.14 0.41 -2.24 1.04 -1.25 -5.12 113.70 109.55 2e0m s SER 17 Ca 0.45 -0.73 -0.25 0.00 0.48 0.00 0.00 55.95 55.90 2e0m s SER 17 Cb 0.30 -0.63 -0.10 0.00 0.10 0.00 0.00 66.02 65.69 2e0m s SER 17 CO 0.19 0.05 1.17 -0.24 0.98 0.00 0.00 173.24 175.40 2e0m n SER 18 N -0.41 2.08 -0.11 7.02 2.88 -1.26 -4.92 113.62 118.89 2e0m n SER 18 Ca -0.08 1.10 -0.09 0.00 -1.33 0.00 0.00 58.87 58.46 2e0m n SER 18 Cb 0.58 -1.44 -0.02 0.00 -0.75 0.00 0.00 64.21 62.58 2e0m n SER 18 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 2e0m h PRO 19 N 1.94 0.49 -5.66 -1.46 0.11 -1.97 -3.37 132.00 122.09 2e0m h PRO 19 Ca -0.46 -0.08 -0.67 0.00 0.11 0.00 0.00 66.00 64.90 2e0m h PRO 19 Cb 1.31 -0.09 -0.11 0.00 0.11 0.00 0.00 31.00 32.22 2e0m h PRO 19 CO 0.59 0.46 1.74 0.45 -0.21 0.00 0.00 178.00 181.03 2e0m s SER 20 N -5.72 6.77 0.21 -2.05 0.15 -1.26 -4.83 113.70 106.98 2e0m s SER 20 Ca -0.13 -2.24 -0.32 0.00 0.70 0.00 0.00 55.95 53.96 2e0m s SER 20 Cb 0.09 -2.53 -0.12 0.00 -1.71 0.00 0.00 66.02 61.75 2e0m s SER 20 CO 0.73 -1.18 1.73 -1.20 1.20 0.00 0.00 173.24 174.52 2e0m n SER 21 N 7.88 4.02 -4.57 5.45 7.64 -1.26 -5.00 113.62 127.79 2e0m n SER 21 Ca 0.40 1.06 -0.29 0.00 1.01 0.00 0.00 58.87 61.05 2e0m n SER 21 Cb 0.47 -1.58 0.22 0.00 -1.01 0.00 0.00 64.21 62.31 2e0m n SER 21 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2e0m s SER 22 N 1.16 1.78 0.58 6.43 1.04 -1.26 -4.77 113.70 118.66 2e0m s SER 22 Ca 0.75 1.70 0.34 0.00 0.48 0.00 0.00 55.95 59.22 2e0m s SER 22 Cb -0.50 -2.36 1.79 0.00 0.10 0.00 0.00 66.02 65.05 2e0m s SER 22 CO 0.33 -3.73 2.17 0.77 0.98 0.00 0.00 173.24 173.76 2e0m h SER 23 N -2.30 0.00 0.37 7.02 4.64 -1.94 -2.06 113.55 119.28 2e0m h SER 23 Ca -0.55 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.77 2e0m h SER 23 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 2e0m h SER 23 CO 0.48 0.05 -0.40 0.18 -0.87 0.00 0.00 176.83 176.27 2e0m n LEU 24 N -3.39 0.74 -0.06 5.97 4.77 -1.26 -4.43 117.00 119.34 2e0m n LEU 24 Ca -0.02 -0.13 -0.08 0.00 -0.03 0.00 0.00 56.01 55.75 2e0m n LEU 24 Cb 0.18 -0.19 -0.02 0.00 -2.33 0.00 0.00 43.42 41.06 2e0m n LEU 24 CO 0.26 0.16 0.68 0.22 -1.33 0.00 0.00 177.39 177.38 2e0m h TYR 25 N 0.54 -0.70 -0.56 -1.77 3.20 -1.72 -1.96 116.97 113.99 2e0m h TYR 25 Ca 0.00 0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.88 2e0m h TYR 25 Cb 0.50 0.35 -0.02 0.00 1.54 0.00 0.00 36.73 39.10 2e0m h TYR 25 CO 0.00 -0.34 0.21 0.00 -1.64 0.00 0.00 178.16 176.40 2e0m h ASN 27 N 0.78 -0.01 0.01 0.00 4.21 -1.68 -0.32 115.58 118.57 2e0m h ASN 27 Ca 0.19 0.13 -0.11 0.00 1.21 0.00 0.00 56.30 57.72 2e0m h ASN 27 Cb 0.22 0.18 0.01 0.00 -1.12 0.00 0.00 38.32 37.61 2e0m h ASN 27 CO -0.01 -0.02 -0.43 -0.07 -1.29 0.00 0.00 177.43 175.61 2e0m h LEU 28 N 0.26 0.35 -0.36 1.61 3.38 -0.82 -3.14 115.31 116.59 2e0m h LEU 28 Ca 0.37 -0.80 -0.10 0.00 0.09 0.00 0.00 57.88 57.44 2e0m h LEU 28 Cb 0.59 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 2e0m h LEU 28 CO -0.47 1.11 -0.17 0.24 0.09 0.00 0.00 178.44 179.24 2e0m h MET 29 N -0.36 0.75 -0.74 1.13 2.86 -0.56 -0.74 114.93 117.27 2e0m h MET 29 Ca -0.06 -0.33 -0.00 0.00 -2.06 0.00 0.00 59.70 57.25 2e0m h MET 29 Cb 1.19 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.79 2e0m h MET 29 CO 0.08 0.94 0.45 0.52 1.06 0.00 0.00 176.91 179.96 2e0m h MET 30 N 0.54 1.00 0.05 1.72 2.86 -1.18 -0.34 114.93 119.59 2e0m h MET 30 Ca 0.08 -0.08 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2e0m h MET 30 Cb 0.71 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 32.16 2e0m h MET 30 CO 0.05 0.70 -0.03 1.25 1.06 0.00 0.00 176.91 179.95 2e0m h LEU 31 N 1.02 -0.06 -1.51 1.22 5.85 -1.47 -0.60 115.31 119.76 2e0m h LEU 31 Ca 0.27 -0.26 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 2e0m h LEU 31 Cb -0.05 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 2e0m h LEU 31 CO -0.05 0.23 -0.24 -0.07 -0.34 0.00 0.00 178.44 177.97 2e0m h LEU 32 N -0.36 0.00 -2.33 2.25 3.38 -0.74 -2.31 115.31 115.20 2e0m h LEU 32 Ca -0.01 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2e0m h LEU 32 Cb 0.32 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2e0m h LEU 32 CO 0.01 0.25 0.00 0.54 0.09 0.00 0.00 178.44 179.33 2e0m n ARG 33 N -4.25 2.79 -1.81 1.13 5.12 -0.17 -4.94 116.66 114.54 2e0m n ARG 33 Ca -0.02 -2.15 -0.13 0.00 -1.93 0.00 0.00 57.85 53.62 2e0m n ARG 33 Cb 0.30 -1.63 -0.03 0.00 -1.16 0.00 0.00 32.46 29.94 2e0m n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2e0m n ASN 34 N 0.97 -4.38 -1.07 0.55 3.02 -0.87 -4.82 115.26 108.67 2e0m n ASN 34 Ca 0.20 0.16 0.09 0.00 -0.03 0.00 0.00 54.58 55.00 2e0m n ASN 34 Cb 0.62 -3.30 0.25 0.00 -0.61 0.00 0.00 39.78 36.75 2e0m n ASN 34 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 2e0m n MET 35 N -2.45 2.39 -0.16 3.52 2.81 -0.24 -3.56 117.12 119.43 2e0m n MET 35 Ca -0.15 -2.06 0.06 0.00 -1.81 0.00 0.00 57.70 53.74 2e0m n MET 35 Cb 0.53 -1.47 0.08 0.00 -0.71 0.00 0.00 33.22 31.64 2e0m n MET 35 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 2e0m n THR 36 N 1.13 1.19 -3.33 2.03 -2.24 -1.21 -1.27 114.28 110.58 2e0m n THR 36 Ca 0.19 -1.40 -0.39 0.00 -2.27 0.00 0.00 64.05 60.18 2e0m n THR 36 Cb 0.50 0.12 -0.08 0.00 -2.10 0.00 0.00 70.33 68.77 2e0m n THR 36 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2e0m s GLN 37 N -1.73 4.10 0.00 -0.78 -1.52 -1.23 -4.24 119.66 114.25 2e0m s GLN 37 Ca 0.18 0.21 0.00 0.00 -1.95 0.00 0.00 55.36 53.79 2e0m s GLN 37 Cb 0.15 -3.61 0.00 0.00 -0.22 0.00 0.00 33.01 29.34 2e0m s GLN 37 CO 0.02 -0.20 0.00 0.41 -0.25 0.00 0.00 175.29 175.26 2e0m n GLY 38 N 4.27 2.09 3.52 3.09 0.00 -1.26 -4.87 105.19 112.03 2e0m n GLY 38 Ca -0.07 -0.41 -0.09 0.00 0.00 0.00 0.00 46.02 45.45 2e0m n GLY 38 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2e0m s ARG 39 N 0.00 1.13 -0.35 1.61 1.70 -1.26 -5.05 118.95 116.73 2e0m s ARG 39 Ca 0.00 -0.46 -0.29 0.00 -0.47 0.00 0.00 55.73 54.51 2e0m s ARG 39 Cb 0.00 0.49 0.01 0.00 -0.57 0.00 0.00 34.95 34.88 2e0m s ARG 39 CO 0.00 -0.50 1.24 0.00 -1.08 0.00 0.00 175.30 174.96 2e0m n LYS 41 N 7.40 2.79 -0.15 0.00 4.81 -0.39 -4.88 118.16 127.74 2e0m n LYS 41 Ca 0.14 1.02 -0.09 0.00 -0.87 0.00 0.00 58.31 58.50 2e0m n LYS 41 Cb 0.47 -2.91 -0.01 0.00 0.02 0.00 0.00 35.03 32.61 2e0m n LYS 41 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 2e0m h PRO 42 N 8.46 0.70 -3.76 1.64 0.11 -1.93 -3.42 132.00 133.80 2e0m h PRO 42 Ca -0.46 -0.18 -0.18 0.00 0.11 0.00 0.00 66.00 65.30 2e0m h PRO 42 Cb 1.22 -0.09 -0.23 0.00 0.11 0.00 0.00 31.00 32.02 2e0m h PRO 42 CO 0.95 0.72 -0.63 0.14 -0.21 0.00 0.00 178.00 178.96 2e0m s VAL 43 N -5.25 0.07 -0.21 3.15 -7.23 -1.26 -0.20 120.40 109.47 2e0m s VAL 43 Ca -0.13 -0.61 -0.27 0.00 -1.81 0.00 0.00 61.98 59.16 2e0m s VAL 43 Cb 0.10 -0.26 0.07 0.00 0.56 0.00 0.00 36.38 36.86 2e0m s VAL 43 CO 0.78 -0.34 0.71 0.21 -0.31 0.00 0.00 175.10 176.16 2e0m s ASN 44 N -1.04 -0.72 -0.11 4.85 2.47 -0.39 -4.99 114.94 115.01 2e0m s ASN 44 Ca -0.11 1.24 0.00 0.00 0.42 0.00 0.00 52.86 54.40 2e0m s ASN 44 Cb -0.07 1.20 -0.02 0.00 -1.45 0.00 0.00 41.25 40.91 2e0m s ASN 44 CO -0.00 -0.35 -0.11 -0.89 -3.72 0.00 0.00 177.10 172.03 2e0m s THR 45 N -0.07 3.24 0.03 -5.21 2.01 -1.26 0.00 115.64 114.38 2e0m s THR 45 Ca -0.03 -0.61 0.04 0.00 0.31 0.00 0.00 61.69 61.39 2e0m s THR 45 Cb -0.04 -2.35 -0.04 0.00 0.01 0.00 0.00 72.50 70.09 2e0m s THR 45 CO 0.03 0.54 -0.04 -0.36 -0.69 0.00 0.00 174.62 174.10 2e0m s PHE 46 N 0.01 2.93 -0.21 4.92 0.08 0.08 -4.39 117.98 121.39 2e0m s PHE 46 Ca -0.03 -0.02 -0.02 0.00 0.12 0.00 0.00 56.93 56.98 2e0m s PHE 46 Cb -0.14 -1.59 0.01 0.00 -0.57 0.00 0.00 43.02 40.73 2e0m s PHE 46 CO 0.04 0.42 -0.10 0.08 -0.10 0.00 0.00 175.22 175.56 2e0m s VAL 47 N -1.11 2.81 -1.22 -0.44 1.01 0.14 -0.82 120.40 120.77 2e0m s VAL 47 Ca 0.20 -0.77 -0.07 0.00 0.00 0.00 0.00 61.98 61.34 2e0m s VAL 47 Cb -0.11 -2.29 0.21 0.00 0.00 0.00 0.00 36.38 34.19 2e0m s VAL 47 CO 0.11 0.41 1.83 1.41 0.00 0.00 0.00 175.10 178.86 2e0m n HIS 48 N 4.71 2.67 -4.02 5.22 -0.00 0.47 -0.70 115.22 123.56 2e0m n HIS 48 Ca -0.19 -2.71 -0.09 0.00 -0.00 0.00 0.00 57.72 54.73 2e0m n HIS 48 Cb 0.50 -1.70 -0.09 0.00 -0.00 0.00 0.00 29.99 28.70 2e0m n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 2e0m s GLU 49 N -0.97 0.86 0.39 -0.41 0.41 -1.26 -4.51 118.70 113.20 2e0m s GLU 49 Ca 0.39 -1.21 -0.27 0.00 -0.41 0.00 0.00 54.97 53.48 2e0m s GLU 49 Cb 0.10 0.28 -0.11 0.00 -1.78 0.00 0.00 34.13 32.63 2e0m s GLU 49 CO 0.01 -0.25 1.34 -2.30 -0.49 0.00 0.00 175.26 173.58 2e0m n PRO 50 N -0.05 2.19 -0.24 0.39 -0.02 -1.26 -4.09 135.00 131.93 2e0m n PRO 50 Ca -0.11 0.77 0.04 0.00 -2.02 0.00 0.00 63.50 62.18 2e0m n PRO 50 Cb 0.62 -2.45 0.14 0.00 -0.02 0.00 0.00 33.50 31.79 2e0m n PRO 50 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2e0m h LEU 51 N 2.44 -0.25 -1.34 2.45 5.85 -1.96 -1.39 115.31 121.11 2e0m h LEU 51 Ca -0.48 0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.43 2e0m h LEU 51 Cb 1.28 0.29 -0.04 0.00 0.37 0.00 0.00 40.66 42.56 2e0m h LEU 51 CO 0.62 -0.13 0.46 1.62 -0.34 0.00 0.00 178.44 180.67 2e0m h VAL 52 N 0.14 1.13 -0.61 1.05 3.04 -1.99 0.70 116.25 119.71 2e0m h VAL 52 Ca 0.38 -0.30 -0.08 0.00 -1.01 0.00 0.00 66.70 65.69 2e0m h VAL 52 Cb 0.66 0.17 -0.02 0.00 -2.01 0.00 0.00 31.29 30.08 2e0m h VAL 52 CO -0.59 0.16 0.07 0.44 -1.01 0.00 0.00 177.57 176.64 2e0m h ASP 53 N 0.88 0.97 -0.14 3.17 3.32 -1.63 -0.58 116.42 122.42 2e0m h ASP 53 Ca 0.27 -0.24 -0.07 0.00 0.02 0.00 0.00 57.03 57.02 2e0m h ASP 53 Cb 0.00 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.29 2e0m h ASP 53 CO -0.07 0.99 -0.18 0.58 -1.72 0.00 0.00 179.24 178.84 2e0m h VAL 54 N 0.95 1.36 -0.69 -1.35 2.07 -0.97 -3.11 116.25 114.50 2e0m h VAL 54 Ca 0.18 -1.39 0.08 0.00 0.82 0.00 0.00 66.70 66.40 2e0m h VAL 54 Cb 0.45 1.95 -0.04 0.00 -1.52 0.00 0.00 31.29 32.13 2e0m h VAL 54 CO 0.02 0.41 0.45 1.56 0.02 0.00 0.00 177.57 180.03 2e0m h GLN 55 N -0.02 0.61 0.00 1.57 4.20 -0.78 -1.07 115.11 119.61 2e0m h GLN 55 Ca 0.02 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.69 2e0m h GLN 55 Cb 0.74 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.38 2e0m h GLN 55 CO 0.04 0.40 0.00 -0.91 -0.67 0.00 0.00 178.83 177.70 2e0m h ASN 56 N 0.63 0.00 0.13 1.46 2.35 -1.03 -2.09 115.58 117.02 2e0m h ASN 56 Ca 0.31 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 56.04 2e0m h ASN 56 Cb 0.38 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.75 2e0m h ASN 56 CO -0.10 0.00 -0.10 0.58 -1.65 0.00 0.00 177.43 176.16 2e0m h VAL 57 N 0.00 0.94 0.00 2.81 2.07 -1.19 -1.14 116.25 119.73 2e0m h VAL 57 Ca 0.00 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.17 2e0m h VAL 57 Cb 0.37 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 2e0m h VAL 57 CO 0.00 0.10 0.01 0.00 0.02 0.00 0.00 177.57 177.69 2e0m n PHE 59 N -2.02 0.19 -0.09 0.00 3.01 -0.43 -5.00 117.46 113.12 2e0m n PHE 59 Ca -0.01 -0.71 0.00 0.00 1.01 0.00 0.00 57.45 57.74 2e0m n PHE 59 Cb 0.03 -0.11 0.00 0.00 -0.01 0.00 0.00 39.48 39.39 2e0m n PHE 59 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 2e0m n GLN 60 N -0.66 3.09 -2.46 -1.08 6.02 -0.23 -5.01 117.38 117.05 2e0m n GLN 60 Ca 0.10 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.66 2e0m n GLN 60 Cb 0.49 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.72 2e0m n GLN 60 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 2e0m s GLU 61 N 4.90 4.26 -0.02 -1.09 2.12 -1.15 -4.88 118.70 122.84 2e0m s GLU 61 Ca 0.00 1.62 -0.30 0.00 0.36 0.00 0.00 54.97 56.65 2e0m s GLU 61 Cb 0.00 -3.71 -0.04 0.00 0.26 0.00 0.00 34.13 30.64 2e0m s GLU 61 CO 0.00 -0.65 1.19 0.21 -0.54 0.00 0.00 175.26 175.47 2e0m s LYS 62 N 3.24 4.38 0.15 4.30 2.20 -1.26 -0.23 119.74 132.52 2e0m s LYS 62 Ca 0.54 1.69 0.03 0.00 -0.36 0.00 0.00 55.97 57.86 2e0m s LYS 62 Cb -0.21 -3.50 -0.05 0.00 -1.51 0.00 0.00 37.83 32.56 2e0m s LYS 62 CO 0.15 -0.38 -0.05 0.14 -0.36 0.00 0.00 175.35 174.85 2e0m s VAL 63 N 1.85 0.89 0.22 4.02 -7.23 -0.08 -4.91 120.40 115.15 2e0m s VAL 63 Ca 0.56 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.43 2e0m s VAL 63 Cb -0.26 -1.94 -0.09 0.00 0.56 0.00 0.00 36.38 34.66 2e0m s VAL 63 CO 0.24 -0.66 1.28 -0.89 -0.31 0.00 0.00 175.10 174.77 2e0m s THR 64 N -3.51 3.22 0.54 5.32 2.01 -1.26 -3.62 115.64 118.33 2e0m s THR 64 Ca 0.19 1.04 -0.20 0.00 0.31 0.00 0.00 61.69 63.02 2e0m s THR 64 Cb 0.05 -3.66 -0.06 0.00 0.01 0.00 0.00 72.50 68.84 2e0m s THR 64 CO 0.01 0.17 1.16 0.00 -0.69 0.00 0.00 174.62 175.27 2e0m h LYS 66 N 1.29 0.48 -0.41 0.00 1.57 -1.89 0.13 116.57 117.74 2e0m h LYS 66 Ca -0.50 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.25 2e0m h LYS 66 Cb 1.27 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.47 2e0m h LYS 66 CO 0.57 0.31 0.00 0.27 -0.57 0.00 0.00 179.45 180.04 2e0m n ASN 67 N -4.81 3.05 0.00 0.86 0.23 -1.26 -4.93 115.26 108.39 2e0m n ASN 67 Ca 0.27 -1.94 0.00 0.00 -0.53 0.00 0.00 54.58 52.38 2e0m n ASN 67 Cb 0.83 -0.27 0.00 0.00 -2.08 0.00 0.00 39.78 38.26 2e0m n ASN 67 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2e0m n GLY 68 N 1.42 0.75 3.31 4.83 0.00 0.47 -5.00 105.19 110.98 2e0m n GLY 68 Ca 0.19 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.95 2e0m n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2e0m s GLN 69 N -0.02 1.28 0.05 1.61 -1.52 -1.26 -4.83 119.66 114.97 2e0m s GLN 69 Ca 0.00 -1.17 0.00 0.00 -1.95 0.00 0.00 55.36 52.24 2e0m s GLN 69 Cb 0.00 -1.58 0.00 0.00 -0.22 0.00 0.00 33.01 31.21 2e0m s GLN 69 CO 0.00 0.38 0.00 0.41 -0.25 0.00 0.00 175.29 175.83 2e0m n GLY 70 N 1.21 -2.35 3.20 3.09 0.00 -1.26 -4.60 105.19 104.48 2e0m n GLY 70 Ca -0.19 -1.56 -0.35 0.00 0.00 0.00 0.00 46.02 43.93 2e0m n GLY 70 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2e0m s ASN 71 N -2.02 4.70 0.22 1.61 0.01 -1.26 -4.63 114.94 113.57 2e0m s ASN 71 Ca 0.00 -1.07 0.09 0.00 -0.71 0.00 0.00 52.86 51.17 2e0m s ASN 71 Cb 0.00 -1.71 -0.04 0.00 0.41 0.00 0.00 41.25 39.91 2e0m s ASN 71 CO 0.00 -0.21 -0.04 0.00 -1.51 0.00 0.00 177.10 175.34 2e0m s TYR 73 N -1.98 -0.14 -0.14 0.00 2.02 -0.10 -0.90 117.35 116.10 2e0m s TYR 73 Ca 0.28 0.34 -0.04 0.00 -0.37 0.00 0.00 57.07 57.28 2e0m s TYR 73 Cb -0.08 0.05 -0.03 0.00 -0.40 0.00 0.00 41.96 41.50 2e0m s TYR 73 CO 0.18 -0.07 -0.01 0.21 -1.57 0.00 0.00 175.55 174.29 2e0m s LYS 74 N 0.09 3.56 0.38 -0.62 2.20 0.68 -1.25 119.74 124.78 2e0m s LYS 74 Ca -0.00 -0.45 -0.27 0.00 -0.36 0.00 0.00 55.97 54.88 2e0m s LYS 74 Cb -0.01 -2.95 -0.10 0.00 -1.51 0.00 0.00 37.83 33.26 2e0m s LYS 74 CO 0.00 0.37 1.38 -1.54 -0.36 0.00 0.00 175.35 175.20 2e0m s SER 75 N 0.04 6.38 0.32 1.43 1.04 -0.19 -2.92 113.70 119.79 2e0m s SER 75 Ca 0.02 2.83 0.00 0.00 0.48 0.00 0.00 55.95 59.28 2e0m s SER 75 Cb -0.13 -2.65 0.52 0.00 0.10 0.00 0.00 66.02 63.86 2e0m s SER 75 CO 0.02 -0.82 1.93 0.78 0.98 0.00 0.00 173.24 176.13 2e0m h ASN 76 N 2.92 0.76 -2.65 7.02 2.35 -1.95 -3.45 115.58 120.58 2e0m h ASN 76 Ca -0.50 -0.07 -0.59 0.00 -0.55 0.00 0.00 56.30 54.59 2e0m h ASN 76 Cb 1.24 -0.19 -0.10 0.00 0.05 0.00 0.00 38.32 39.31 2e0m h ASN 76 CO 0.64 0.64 -0.65 -0.44 -1.65 0.00 0.00 177.43 175.97 2e0m s SER 77 N -6.51 4.73 -0.01 5.81 0.01 -1.26 -4.90 113.70 111.58 2e0m s SER 77 Ca -0.10 -0.46 -0.30 0.00 1.31 0.00 0.00 55.95 56.40 2e0m s SER 77 Cb 0.17 -0.98 -0.04 0.00 0.21 0.00 0.00 66.02 65.38 2e0m s SER 77 CO 0.78 0.06 1.13 -0.55 0.41 0.00 0.00 173.24 175.07 2e0m s SER 78 N -3.19 7.15 0.18 2.44 0.15 -1.26 -4.44 113.70 114.72 2e0m s SER 78 Ca 0.29 1.81 0.07 0.00 0.70 0.00 0.00 55.95 58.82 2e0m s SER 78 Cb -0.08 -2.57 -0.04 0.00 -1.71 0.00 0.00 66.02 61.62 2e0m s SER 78 CO 0.19 -0.46 0.05 -0.04 1.20 0.00 0.00 173.24 174.18 2e0m s MET 79 N 1.55 2.57 -0.15 5.44 -1.94 0.69 -4.79 119.30 122.67 2e0m s MET 79 Ca 0.55 -1.05 -0.29 0.00 -1.71 0.00 0.00 55.69 53.19 2e0m s MET 79 Cb -0.25 -2.44 -0.03 0.00 2.01 0.00 0.00 34.83 34.12 2e0m s MET 79 CO 0.25 0.46 1.43 -1.01 -0.01 0.00 0.00 175.02 176.14 2e0m s HIS 80 N -1.78 2.48 0.26 -0.03 3.76 -1.26 -1.12 115.29 117.60 2e0m s HIS 80 Ca 0.29 0.70 0.03 0.00 -0.15 0.00 0.00 55.06 55.92 2e0m s HIS 80 Cb -0.09 -3.72 -0.05 0.00 1.11 0.00 0.00 32.58 29.82 2e0m s HIS 80 CO 0.20 -2.49 0.05 0.96 -0.85 0.00 0.00 174.74 172.61 2e0m s ILE 81 N 3.96 0.91 -0.06 0.60 -4.36 0.01 -0.39 121.20 121.86 2e0m s ILE 81 Ca 0.62 -2.01 0.00 0.00 -0.26 0.00 0.00 60.65 59.00 2e0m s ILE 81 Cb -0.25 -2.55 0.02 0.00 1.25 0.00 0.00 42.46 40.93 2e0m s ILE 81 CO 0.22 -0.14 -0.03 -0.89 0.24 0.00 0.00 174.94 174.34 2e0m s THR 82 N -3.51 0.50 -0.01 8.37 2.01 -0.00 -1.24 115.64 121.75 2e0m s THR 82 Ca 0.34 -0.05 -0.16 0.00 0.31 0.00 0.00 61.69 62.13 2e0m s THR 82 Cb 0.07 -0.57 -0.06 0.00 0.01 0.00 0.00 72.50 71.96 2e0m s THR 82 CO 0.12 0.24 0.43 -1.81 -0.69 0.00 0.00 174.62 172.91 2e0m s ASP 83 N 1.29 6.82 -0.11 3.53 1.01 -0.41 -0.75 116.67 128.04 2e0m s ASP 83 Ca -0.05 0.97 0.03 0.00 0.71 0.00 0.00 52.55 54.21 2e0m s ASP 83 Cb -0.14 -2.27 -0.00 0.00 1.01 0.00 0.00 42.92 41.53 2e0m s ASP 83 CO -0.02 0.27 -0.22 0.00 0.21 0.00 0.00 175.17 175.41 2e0m s ARG 85 N 0.42 1.48 0.14 0.00 0.52 -0.80 -1.26 118.95 119.46 2e0m s ARG 85 Ca -0.16 -0.28 -0.33 0.00 -0.52 0.00 0.00 55.73 54.43 2e0m s ARG 85 Cb -0.17 -1.42 -0.13 0.00 0.52 0.00 0.00 34.95 33.75 2e0m s ARG 85 CO 0.07 -0.14 1.66 -0.11 0.02 0.00 0.00 175.30 176.80 2e0m n LEU 86 N 4.43 3.39 -4.76 2.53 7.94 0.72 -1.13 117.00 130.13 2e0m n LEU 86 Ca -0.17 1.06 -0.37 0.00 -1.11 0.00 0.00 56.01 55.41 2e0m n LEU 86 Cb 0.51 -1.46 0.02 0.00 0.53 0.00 0.00 43.42 43.01 2e0m n LEU 86 CO 0.20 -0.13 0.90 0.42 -1.11 0.00 0.00 177.39 177.66 2e0m s THR 87 N 1.42 2.60 0.28 1.96 -4.23 -0.04 -4.87 115.64 112.76 2e0m s THR 87 Ca 0.80 0.44 0.02 0.00 -1.18 0.00 0.00 61.69 61.77 2e0m s THR 87 Cb -0.63 -3.22 0.27 0.00 1.34 0.00 0.00 72.50 70.26 2e0m s THR 87 CO 0.38 -0.02 1.76 -1.13 -0.54 0.00 0.00 174.62 175.07 2e0m h ASN 88 N 1.62 0.60 1.04 3.99 -1.24 -1.91 -2.09 115.58 117.58 2e0m h ASN 88 Ca -0.50 0.10 -0.02 0.00 0.71 0.00 0.00 56.30 56.59 2e0m h ASN 88 Cb 1.28 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 40.33 2e0m h ASN 88 CO 0.58 0.21 -0.12 1.23 -1.29 0.00 0.00 177.43 178.05 2e0m h GLY 89 N 0.65 0.00 -4.15 1.57 0.00 -1.96 -3.45 103.07 95.72 2e0m h GLY 89 Ca 0.52 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 47.32 2e0m h GLY 89 CO -0.39 0.00 0.79 -0.56 0.00 0.00 0.00 176.54 176.38 2e0m s SER 90 N -5.98 6.52 -0.04 0.19 0.01 -0.79 -5.03 113.70 108.58 2e0m s SER 90 Ca 0.01 2.83 0.01 0.00 1.31 0.00 0.00 55.95 60.12 2e0m s SER 90 Cb 0.09 -2.64 0.02 0.00 0.21 0.00 0.00 66.02 63.71 2e0m s SER 90 CO 0.60 -0.78 -0.03 0.00 0.41 0.00 0.00 173.24 173.44 2e0m s ARG 91 N -0.93 0.61 0.18 12.44 1.70 -1.06 -4.95 118.95 126.94 2e0m s ARG 91 Ca 0.58 -0.05 -0.30 0.00 -0.47 0.00 0.00 55.73 55.49 2e0m s ARG 91 Cb -0.44 -0.67 -0.17 0.00 -0.57 0.00 0.00 34.95 33.09 2e0m s ARG 91 CO 0.50 -0.08 0.68 0.98 -1.08 0.00 0.00 175.30 176.29 2e0m n TYR 92 N 3.97 -0.06 1.75 5.89 9.36 -1.26 -0.44 117.16 136.37 2e0m n TYR 92 Ca -0.25 0.94 0.15 0.00 3.32 0.00 0.00 57.90 62.06 2e0m n TYR 92 Cb 0.51 -2.02 0.78 0.00 -0.63 0.00 0.00 39.34 37.97 2e0m n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2e0m n PRO 93 N 1.07 1.09 -2.39 2.98 -0.04 -1.26 -5.02 135.00 131.43 2e0m n PRO 93 Ca 0.17 -0.28 -0.40 0.00 -0.04 0.00 0.00 63.50 62.95 2e0m n PRO 93 Cb 0.24 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.17 2e0m n PRO 93 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 2e0m s ASN 94 N -2.11 5.88 -0.44 3.54 2.47 0.41 -4.95 114.94 119.74 2e0m s ASN 94 Ca 0.41 -0.22 -0.04 0.00 0.42 0.00 0.00 52.86 53.44 2e0m s ASN 94 Cb 0.21 -2.55 0.12 0.00 -1.45 0.00 0.00 41.25 37.58 2e0m s ASN 94 CO 0.38 -2.01 0.25 0.00 -3.72 0.00 0.00 177.10 172.00 2e0m s ALA 96 N 1.02 3.41 0.01 0.00 0.00 -1.26 -4.88 121.76 120.05 2e0m s ALA 96 Ca 0.09 -1.02 0.01 0.00 0.00 0.00 0.00 51.96 51.05 2e0m s ALA 96 Cb -0.23 -1.35 -0.01 0.00 0.00 0.00 0.00 23.12 21.54 2e0m s ALA 96 CO -0.04 0.70 -0.05 0.71 0.00 0.00 0.00 175.76 177.09 2e0m s TYR 97 N -1.27 0.42 0.03 0.00 2.02 -1.26 -0.86 117.35 116.43 2e0m s TYR 97 Ca 0.25 -0.19 -0.21 0.00 -0.37 0.00 0.00 57.07 56.55 2e0m s TYR 97 Cb -0.12 -0.26 -0.06 0.00 -0.40 0.00 0.00 41.96 41.12 2e0m s TYR 97 CO 0.17 -0.03 0.61 1.03 -1.57 0.00 0.00 175.55 175.75 2e0m s ARG 98 N -0.50 4.31 -0.19 -0.62 0.52 -0.28 -4.51 118.95 117.67 2e0m s ARG 98 Ca -0.02 0.77 -0.08 0.00 -0.52 0.00 0.00 55.73 55.88 2e0m s ARG 98 Cb -0.04 -3.31 -0.04 0.00 0.52 0.00 0.00 34.95 32.08 2e0m s ARG 98 CO -0.00 0.45 0.07 0.99 0.02 0.00 0.00 175.30 176.83 2e0m s THR 99 N -0.47 4.86 -0.35 0.02 2.01 -1.26 -1.90 115.64 118.54 2e0m s THR 99 Ca 0.31 -0.01 -0.00 0.00 0.31 0.00 0.00 61.69 62.30 2e0m s THR 99 Cb -0.19 -3.20 0.12 0.00 0.01 0.00 0.00 72.50 69.24 2e0m s THR 99 CO 0.18 0.45 0.16 -0.55 -0.69 0.00 0.00 174.62 174.17 2e0m s SER 100 N 0.47 3.73 0.29 3.53 0.15 0.06 -4.95 113.70 116.99 2e0m s SER 100 Ca 0.04 -1.99 -0.29 0.00 0.70 0.00 0.00 55.95 54.41 2e0m s SER 100 Cb -0.12 -0.82 -0.09 0.00 -1.71 0.00 0.00 66.02 63.27 2e0m s SER 100 CO 0.00 -0.36 1.09 -2.16 1.20 0.00 0.00 173.24 173.02 2e0m s PRO 101 N 1.19 4.59 0.27 5.44 0.04 -1.26 -1.29 135.00 143.97 2e0m s PRO 101 Ca 0.13 1.76 -0.20 0.00 0.04 0.00 0.00 61.00 62.74 2e0m s PRO 101 Cb -0.20 -3.12 0.02 0.00 0.04 0.00 0.00 34.50 31.24 2e0m s PRO 101 CO -0.14 0.18 0.67 -1.59 0.04 0.00 0.00 177.00 176.15 2e0m s LYS 102 N -1.56 1.71 -0.16 4.56 -2.85 -0.38 -4.97 119.74 116.09 2e0m s LYS 102 Ca 0.46 -1.01 -0.01 0.00 -1.00 0.00 0.00 55.97 54.41 2e0m s LYS 102 Cb -0.31 0.58 -0.01 0.00 -2.06 0.00 0.00 37.83 36.03 2e0m s LYS 102 CO 0.39 -0.77 -0.11 -1.21 0.10 0.00 0.00 175.35 173.75 2e0m s GLU 103 N -3.93 3.36 0.03 1.78 2.02 -1.26 -0.81 118.70 119.89 2e0m s GLU 103 Ca 0.12 -0.68 -0.10 0.00 0.02 0.00 0.00 54.97 54.34 2e0m s GLU 103 Cb -0.05 -2.74 0.00 0.00 0.10 0.00 0.00 34.13 31.44 2e0m s GLU 103 CO 0.06 0.06 0.20 1.03 0.02 0.00 0.00 175.26 176.63 2e0m s ARG 104 N 0.76 0.68 0.25 1.61 1.81 -0.27 -4.84 118.95 118.94 2e0m s ARG 104 Ca -0.05 -0.59 -0.30 0.00 -1.72 0.00 0.00 55.73 53.08 2e0m s ARG 104 Cb -0.15 0.28 -0.09 0.00 -0.45 0.00 0.00 34.95 34.54 2e0m s ARG 104 CO 0.01 -0.19 1.22 -1.01 -0.68 0.00 0.00 175.30 174.65 2e0m s HIS 105 N -2.42 3.34 0.06 -0.53 3.76 0.60 -0.22 115.29 119.88 2e0m s HIS 105 Ca -0.06 1.46 -0.01 0.00 -0.15 0.00 0.00 55.06 56.30 2e0m s HIS 105 Cb -0.02 -3.48 -0.04 0.00 1.11 0.00 0.00 32.58 30.15 2e0m s HIS 105 CO -0.03 -1.31 0.23 0.96 -0.85 0.00 0.00 174.74 173.74 2e0m s ILE 106 N -0.61 5.36 -0.15 0.60 -4.36 -1.26 -1.10 121.20 119.68 2e0m s ILE 106 Ca 0.50 -0.28 0.00 0.00 -0.26 0.00 0.00 60.65 60.62 2e0m s ILE 106 Cb -0.35 -3.62 0.02 0.00 1.25 0.00 0.00 42.46 39.77 2e0m s ILE 106 CO 0.42 0.16 -0.14 -0.63 0.24 0.00 0.00 174.94 174.99 2e0m s ILE 107 N -1.50 1.60 0.08 8.37 1.01 0.56 -1.02 121.20 130.30 2e0m s ILE 107 Ca 0.35 -0.65 0.07 0.00 0.00 0.00 0.00 60.65 60.42 2e0m s ILE 107 Cb -0.13 -1.50 -0.03 0.00 0.01 0.00 0.00 42.46 40.81 2e0m s ILE 107 CO 0.26 0.46 -0.20 0.68 0.00 0.00 0.00 174.94 176.15 2e0m s VAL 108 N 1.48 1.58 -0.00 2.92 -7.23 -0.38 -0.84 120.40 117.93 2e0m s VAL 108 Ca 0.05 -1.38 -0.20 0.00 -1.81 0.00 0.00 61.98 58.64 2e0m s VAL 108 Cb -0.13 -1.43 -0.05 0.00 0.56 0.00 0.00 36.38 35.33 2e0m s VAL 108 CO -0.11 -0.01 0.56 0.00 -0.31 0.00 0.00 175.10 175.24 2e0m s ALA 109 N -1.06 3.52 0.14 1.32 0.00 -0.09 -0.92 121.76 124.67 2e0m s ALA 109 Ca 0.05 -0.01 0.11 0.00 0.00 0.00 0.00 51.96 52.11 2e0m s ALA 109 Cb -0.10 -2.68 -0.04 0.00 0.00 0.00 0.00 23.12 20.30 2e0m s ALA 109 CO 0.03 0.22 -0.27 0.00 0.00 0.00 0.00 175.76 175.74 2e0m s GLU 111 N -2.11 0.99 0.01 0.00 -1.05 -0.31 -4.52 118.70 111.70 2e0m s GLU 111 Ca 0.15 -0.31 0.00 0.00 -0.15 0.00 0.00 54.97 54.66 2e0m s GLU 111 Cb -0.10 0.46 0.00 0.00 -0.44 0.00 0.00 34.13 34.05 2e0m s GLU 111 CO 0.06 -0.42 0.00 0.41 0.95 0.00 0.00 175.26 176.26 2e0m n GLY 112 N -0.18 -3.75 2.75 -3.83 0.00 -1.26 -2.09 105.19 96.83 2e0m n GLY 112 Ca -0.12 -2.08 -0.29 0.00 0.00 0.00 0.00 46.02 43.53 2e0m n GLY 112 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2e0m s SER 113 N -0.94 3.52 0.73 1.61 0.15 -1.26 -2.64 113.70 114.87 2e0m s SER 113 Ca 0.00 -1.23 -0.13 0.00 0.70 0.00 0.00 55.95 55.30 2e0m s SER 113 Cb 0.00 -0.77 0.04 0.00 -1.71 0.00 0.00 66.02 63.58 2e0m s SER 113 CO 0.00 -0.35 1.11 -2.16 1.20 0.00 0.00 173.24 173.04 2e0m s PRO 114 N 1.71 2.38 -0.60 5.44 0.04 -1.26 -5.10 135.00 137.61 2e0m s PRO 114 Ca 0.03 1.33 -0.25 0.00 0.04 0.00 0.00 61.00 62.16 2e0m s PRO 114 Cb -0.17 -1.90 0.04 0.00 0.04 0.00 0.00 34.50 32.51 2e0m s PRO 114 CO -0.16 -1.57 1.03 -0.47 0.04 0.00 0.00 177.00 175.86 2e0m s TYR 115 N -2.58 2.67 0.14 0.56 5.04 -1.08 -4.85 117.35 117.25 2e0m s TYR 115 Ca 0.65 -0.07 0.02 0.00 -2.44 0.00 0.00 57.07 55.23 2e0m s TYR 115 Cb -0.20 -4.26 -0.04 0.00 0.35 0.00 0.00 41.96 37.81 2e0m s TYR 115 CO 0.49 -1.54 -0.04 0.14 -1.34 0.00 0.00 175.55 173.26 2e0m s VAL 116 N 4.35 0.76 0.21 3.14 -7.23 -0.89 -4.82 120.40 115.92 2e0m s VAL 116 Ca 0.31 -1.98 -0.31 0.00 -1.81 0.00 0.00 61.98 58.19 2e0m s VAL 116 Cb -0.12 -1.92 -0.10 0.00 0.56 0.00 0.00 36.38 34.79 2e0m s VAL 116 CO 0.18 -0.66 1.55 -2.84 -0.31 0.00 0.00 175.10 173.01 2e0m s PRO 117 N -3.86 4.21 0.00 4.82 0.02 -1.26 -1.17 135.00 137.76 2e0m s PRO 117 Ca 0.18 2.39 0.00 0.00 0.02 0.00 0.00 61.00 63.60 2e0m s PRO 117 Cb 0.05 -3.12 0.00 0.00 0.02 0.00 0.00 34.50 31.45 2e0m s PRO 117 CO 0.00 -0.57 0.18 1.33 -0.33 0.00 0.00 177.00 177.62 2e0m n VAL 118 N 3.27 0.00 -3.66 3.83 0.24 0.61 -4.42 118.33 118.21 2e0m n VAL 118 Ca 0.11 -0.35 -0.09 0.00 -2.04 0.00 0.00 64.34 61.98 2e0m n VAL 118 Cb 0.39 1.16 -0.08 0.00 -1.47 0.00 0.00 33.84 33.83 2e0m n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2e0m s HIS 119 N -0.33 -0.89 -0.42 6.34 5.65 -1.14 -4.70 115.29 119.79 2e0m s HIS 119 Ca 0.00 1.85 -0.23 0.00 0.25 0.00 0.00 55.06 56.93 2e0m s HIS 119 Cb 0.00 0.49 0.02 0.00 -1.18 0.00 0.00 32.58 31.91 2e0m s HIS 119 CO 0.00 -0.45 0.79 0.12 -0.65 0.00 0.00 174.74 174.54 2e0m s PHE 120 N 1.40 3.03 -0.16 3.88 2.19 -1.26 -0.91 117.98 126.15 2e0m s PHE 120 Ca -0.09 0.29 -0.16 0.00 0.33 0.00 0.00 56.93 57.31 2e0m s PHE 120 Cb -0.06 -3.58 -0.23 0.00 -1.31 0.00 0.00 43.02 37.84 2e0m s PHE 120 CO -0.15 -0.91 0.33 0.22 1.83 0.00 0.00 175.22 176.54 2e0m h ASP 121 N 8.82 0.19 -5.46 6.13 3.58 -1.33 -3.48 116.42 124.87 2e0m h ASP 121 Ca -0.25 -0.72 0.24 0.00 0.42 0.00 0.00 57.03 56.72 2e0m h ASP 121 Cb 1.09 -0.06 -0.10 0.00 1.72 0.00 0.00 39.33 41.98 2e0m h ASP 121 CO 0.94 1.61 0.62 0.00 -2.88 0.00 0.00 179.24 179.54 2e0m s ALA 122 N -2.44 -1.89 0.05 -0.78 0.00 -1.01 -4.87 121.76 110.81 2e0m s ALA 122 Ca -0.25 0.40 0.02 0.00 0.00 0.00 0.00 51.96 52.13 2e0m s ALA 122 Cb 0.06 0.51 -0.03 0.00 0.00 0.00 0.00 23.12 23.66 2e0m s ALA 122 CO 0.68 -1.03 -0.08 -1.54 0.00 0.00 0.00 175.76 173.79 2e0m s SER 123 N -2.93 0.88 -0.02 0.00 1.04 -1.26 -0.32 113.70 111.10 2e0m s SER 123 Ca 0.13 -0.60 -0.10 0.00 0.48 0.00 0.00 55.95 55.85 2e0m s SER 123 Cb 0.01 0.04 0.01 0.00 0.10 0.00 0.00 66.02 66.19 2e0m s SER 123 CO -0.01 -0.24 0.22 0.68 0.98 0.00 0.00 173.24 174.87 2e0m s VAL 124 N -1.65 0.06 0.06 5.02 -7.23 -0.26 -4.97 120.40 111.43 2e0m s VAL 124 Ca -0.07 -0.51 -0.13 0.00 -1.81 0.00 0.00 61.98 59.45 2e0m s VAL 124 Cb -0.08 -0.49 -0.27 0.00 0.56 0.00 0.00 36.38 36.10 2e0m s VAL 124 CO -0.00 -0.28 1.13 -0.08 -0.31 0.00 0.00 175.10 175.56 2e0m h GLU 125 N 4.34 0.61 -6.75 4.82 4.81 -1.88 0.17 114.58 120.69 2e0m h GLU 125 Ca -0.30 -0.78 -0.50 0.00 -0.13 0.00 0.00 59.36 57.65 2e0m h GLU 125 Cb 1.19 0.25 0.00 0.00 0.63 0.00 0.00 28.75 30.82 2e0m h GLU 125 CO 0.40 1.35 0.43 0.16 -0.73 0.00 0.00 179.01 180.61 2e0m s ASP 126 N -7.38 7.41 0.49 1.04 -4.77 -1.26 -4.60 116.67 107.60 2e0m s ASP 126 Ca -0.09 2.11 -0.14 0.00 -3.30 0.00 0.00 52.55 51.14 2e0m s ASP 126 Cb 0.06 -2.62 -0.07 0.00 -1.09 0.00 0.00 42.92 39.20 2e0m s ASP 126 CO 0.93 -0.05 0.91 -0.94 0.70 0.00 0.00 175.17 176.72 2e0m s SER 127 N -0.83 6.55 0.00 2.11 1.04 -1.26 -4.88 113.70 116.43 2e0m s SER 127 Ca 0.44 1.40 0.00 0.00 0.48 0.00 0.00 55.95 58.27 2e0m s SER 127 Cb -0.29 -2.44 0.00 0.00 0.10 0.00 0.00 66.02 63.39 2e0m s SER 127 CO 0.37 -0.55 0.00 0.41 0.98 0.00 0.00 173.24 174.45