#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 0.77 0.60 1.64 -1.05 -1.26 -5.14 118.70 114.26 2e0m s GLU 2 Ca 0.00 -1.29 -0.06 0.00 -0.15 0.00 0.00 54.97 53.47 2e0m s GLU 2 Cb 0.00 -0.10 0.02 0.00 -0.44 0.00 0.00 34.13 33.61 2e0m s GLU 2 CO 0.00 -0.04 0.91 -1.54 0.95 0.00 0.00 175.26 175.54 2e0m s SER 3 N -2.97 5.48 0.25 0.83 1.04 -1.26 -4.88 113.70 112.19 2e0m s SER 3 Ca 0.10 0.65 -0.05 0.00 0.48 0.00 0.00 55.95 57.12 2e0m s SER 3 Cb 0.06 -1.60 0.30 0.00 0.10 0.00 0.00 66.02 64.89 2e0m s SER 3 CO -0.06 -1.13 1.91 0.03 0.98 0.00 0.00 173.24 174.97 2e0m h ARG 4 N -0.21 1.22 -0.58 4.02 3.08 -1.97 0.92 114.38 120.88 2e0m h ARG 4 Ca -0.45 -0.07 -0.11 0.00 0.07 0.00 0.00 59.98 59.42 2e0m h ARG 4 Cb 1.27 -0.28 -0.02 0.00 0.08 0.00 0.00 29.97 31.02 2e0m h ARG 4 CO 0.60 0.81 -0.05 0.00 -1.07 0.00 0.00 179.97 180.26 2e0m h ALA 5 N 1.39 0.81 -0.47 0.04 0.00 -1.88 -0.89 119.26 118.25 2e0m h ALA 5 Ca 0.38 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 2e0m h ALA 5 Cb -0.03 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2e0m h ALA 5 CO -0.11 0.67 -0.09 -0.22 0.00 0.00 0.00 179.25 179.49 2e0m h LYS 6 N 0.95 0.90 -0.84 0.00 1.63 -1.77 -2.38 116.57 115.05 2e0m h LYS 6 Ca 0.16 -0.34 0.01 0.00 -0.85 0.00 0.00 60.65 59.63 2e0m h LYS 6 Cb 0.62 -0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 32.15 2e0m h LYS 6 CO 0.04 0.98 0.56 -0.22 -3.45 0.00 0.00 179.45 177.36 2e0m h LYS 7 N 0.75 1.11 -0.48 1.90 3.64 -0.56 0.12 116.57 123.05 2e0m h LYS 7 Ca 0.12 -0.07 0.03 0.00 -1.27 0.00 0.00 60.65 59.47 2e0m h LYS 7 Cb 0.64 -0.25 -0.04 0.00 -0.41 0.00 0.00 32.23 32.17 2e0m h LYS 7 CO 0.04 0.73 0.26 0.35 -2.27 0.00 0.00 179.45 178.57 2e0m h PHE 8 N 1.14 0.49 -0.29 1.91 3.57 -1.02 0.42 116.94 123.17 2e0m h PHE 8 Ca 0.31 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.81 2e0m h PHE 8 Cb -0.13 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.45 2e0m h PHE 8 CO -0.01 0.26 0.13 1.96 -2.23 0.00 0.00 178.31 178.42 2e0m h GLN 9 N 0.52 0.42 -0.55 1.11 4.20 -0.85 0.18 115.11 120.14 2e0m h GLN 9 Ca 0.20 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.84 2e0m h GLN 9 Cb 0.07 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.75 2e0m h GLN 9 CO -0.12 0.43 0.34 -0.09 -0.67 0.00 0.00 178.83 178.72 2e0m h ARG 10 N 0.32 0.75 0.00 1.46 2.43 -0.68 -1.47 114.38 117.19 2e0m h ARG 10 Ca 0.10 -0.07 -0.21 0.00 -0.81 0.00 0.00 59.98 58.99 2e0m h ARG 10 Cb 0.15 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.52 2e0m h ARG 10 CO -0.01 0.54 -1.03 1.96 -1.51 0.00 0.00 179.97 179.92 2e0m h GLN 11 N 0.75 0.00 0.00 0.20 4.20 -0.77 -3.42 115.11 116.06 2e0m h GLN 11 Ca 0.20 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.91 2e0m h GLN 11 Cb -0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.76 2e0m h GLN 11 CO -0.04 0.92 -0.19 0.72 -0.67 0.00 0.00 178.83 179.57 2e0m n HIS 12 N -3.31 0.00 -3.68 2.96 8.25 0.61 -4.67 115.22 115.38 2e0m n HIS 12 Ca -0.01 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.09 2e0m n HIS 12 Cb 0.94 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.97 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 -0.87 4.14 -0.41 -0.41 -1.94 -0.56 0.33 119.30 119.58 2e0m s MET 13 Ca 0.00 -0.10 0.06 0.00 -1.71 0.00 0.00 55.69 53.94 2e0m s MET 13 Cb 0.00 -3.40 0.21 0.00 2.01 0.00 0.00 34.83 33.65 2e0m s MET 13 CO 0.00 0.33 0.44 -3.47 -0.01 0.00 0.00 175.02 172.31 2e0m n ASP 14 N 3.37 -0.08 0.15 3.03 2.03 0.13 -4.82 116.55 120.36 2e0m n ASP 14 Ca -0.15 -2.55 0.00 0.00 0.52 0.00 0.00 54.79 52.61 2e0m n ASP 14 Cb 0.52 -0.60 0.26 0.00 -0.72 0.00 0.00 41.12 40.59 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 4.80 0.05 -0.51 1.67 0.02 -1.72 -3.30 113.55 114.57 2e0m h SER 15 Ca 0.17 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 2e0m h SER 15 Cb 0.89 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.42 2e0m h SER 15 CO 0.42 0.51 0.00 0.47 -1.14 0.00 0.00 176.83 177.10 2e0m n ASP 16 N -3.98 4.11 -4.81 3.07 8.00 -1.26 -4.55 116.55 117.13 2e0m n ASP 16 Ca -0.02 -2.41 -0.24 0.00 0.71 0.00 0.00 54.79 52.83 2e0m n ASP 16 Cb 0.50 -0.48 -0.05 0.00 -0.02 0.00 0.00 41.12 41.06 2e0m n ASP 16 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2e0m s SER 17 N -1.13 5.54 0.39 -2.24 0.01 -1.24 -5.11 113.70 109.93 2e0m s SER 17 Ca 0.43 -0.17 -0.27 0.00 1.31 0.00 0.00 55.95 57.24 2e0m s SER 17 Cb 0.28 -1.44 -0.10 0.00 0.21 0.00 0.00 66.02 64.96 2e0m s SER 17 CO 0.20 0.02 1.48 -0.24 0.41 0.00 0.00 173.24 175.11 2e0m n SER 18 N -0.71 3.71 -0.06 2.44 2.88 -1.26 -4.95 113.62 115.67 2e0m n SER 18 Ca -0.08 1.21 -0.10 0.00 -1.33 0.00 0.00 58.87 58.57 2e0m n SER 18 Cb 0.56 -1.62 -0.03 0.00 -0.75 0.00 0.00 64.21 62.37 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 2.81 0.31 -5.40 -1.46 0.11 -1.97 -3.36 132.00 123.04 2e0m h PRO 19 Ca -0.51 -0.02 -0.69 0.00 0.11 0.00 0.00 66.00 64.89 2e0m h PRO 19 Cb 1.25 -0.07 -0.13 0.00 0.11 0.00 0.00 31.00 32.16 2e0m h PRO 19 CO 0.63 0.22 1.66 0.45 -0.21 0.00 0.00 178.00 180.75 2e0m s SER 20 N -5.42 6.86 0.22 -2.05 0.15 -1.26 -4.82 113.70 107.38 2e0m s SER 20 Ca -0.13 -2.48 -0.32 0.00 0.70 0.00 0.00 55.95 53.72 2e0m s SER 20 Cb 0.09 -2.49 -0.13 0.00 -1.71 0.00 0.00 66.02 61.77 2e0m s SER 20 CO 0.70 -1.05 1.56 -1.20 1.20 0.00 0.00 173.24 174.45 2e0m n SER 21 N 7.26 3.35 -4.64 5.45 7.64 -1.26 -5.00 113.62 126.43 2e0m n SER 21 Ca 0.40 1.11 -0.29 0.00 1.01 0.00 0.00 58.87 61.10 2e0m n SER 21 Cb 0.46 -1.50 0.19 0.00 -1.01 0.00 0.00 64.21 62.35 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 0.69 2.43 0.60 6.43 1.04 -1.26 -4.78 113.70 118.85 2e0m s SER 22 Ca 0.72 1.46 0.36 0.00 0.48 0.00 0.00 55.95 58.96 2e0m s SER 22 Cb -0.59 -2.14 1.95 0.00 0.10 0.00 0.00 66.02 65.34 2e0m s SER 22 CO 0.43 -3.29 2.24 0.77 0.98 0.00 0.00 173.24 174.36 2e0m h SER 23 N -2.00 0.00 0.22 7.02 4.64 -1.94 -1.81 113.55 119.69 2e0m h SER 23 Ca -0.54 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.78 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 0.53 0.03 -0.33 0.18 -0.87 0.00 0.00 176.83 176.37 2e0m n LEU 24 N -3.41 1.10 0.00 5.97 4.77 -1.26 -4.43 117.00 119.75 2e0m n LEU 24 Ca -0.02 -0.31 -0.10 0.00 -0.03 0.00 0.00 56.01 55.55 2e0m n LEU 24 Cb 0.13 -0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 41.08 2e0m n LEU 24 CO 0.25 0.21 0.70 0.22 -1.33 0.00 0.00 177.39 177.44 2e0m h TYR 25 N 1.21 -0.62 -0.67 -1.77 3.20 -1.67 -1.99 116.97 114.66 2e0m h TYR 25 Ca 0.00 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.86 2e0m h TYR 25 Cb 0.54 0.29 -0.03 0.00 1.54 0.00 0.00 36.73 39.07 2e0m h TYR 25 CO 0.00 -0.32 0.26 0.00 -1.64 0.00 0.00 178.16 176.47 2e0m h ASN 27 N 0.95 0.00 -0.03 0.00 2.35 -1.69 0.27 115.58 117.42 2e0m h ASN 27 Ca 0.22 0.12 -0.10 0.00 -0.55 0.00 0.00 56.30 55.99 2e0m h ASN 27 Cb 0.21 0.16 0.01 0.00 0.05 0.00 0.00 38.32 38.75 2e0m h ASN 27 CO -0.02 0.00 -0.36 -0.07 -1.65 0.00 0.00 177.43 175.34 2e0m h LEU 28 N 0.26 0.37 -0.34 1.61 4.07 -0.83 -3.15 115.31 117.31 2e0m h LEU 28 Ca 0.33 -0.72 -0.13 0.00 0.08 0.00 0.00 57.88 57.45 2e0m h LEU 28 Cb 0.50 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 42.12 2e0m h LEU 28 CO -0.42 1.03 -0.28 0.24 -1.08 0.00 0.00 178.44 177.93 2e0m h MET 29 N -0.26 0.78 -0.52 1.13 2.86 -0.51 -0.47 114.93 117.94 2e0m h MET 29 Ca -0.04 -0.39 -0.03 0.00 -2.06 0.00 0.00 59.70 57.18 2e0m h MET 29 Cb 1.06 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.70 2e0m h MET 29 CO 0.07 1.02 0.19 0.52 1.06 0.00 0.00 176.91 179.78 2e0m h MET 30 N 0.56 0.75 -0.07 1.72 2.86 -1.07 -0.94 114.93 118.75 2e0m h MET 30 Ca 0.06 -0.12 -0.03 0.00 -2.06 0.00 0.00 59.70 57.56 2e0m h MET 30 Cb 0.85 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 32.38 2e0m h MET 30 CO 0.07 0.63 -0.06 1.25 1.06 0.00 0.00 176.91 179.87 2e0m h LEU 31 N 0.74 0.17 -1.55 1.22 5.85 -1.47 -0.44 115.31 119.83 2e0m h LEU 31 Ca 0.18 -0.47 -0.05 0.00 0.84 0.00 0.00 57.88 58.38 2e0m h LEU 31 Cb 0.17 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 2e0m h LEU 31 CO -0.01 0.60 -0.24 -0.07 -0.34 0.00 0.00 178.44 178.38 2e0m h LEU 32 N -0.27 0.00 -2.59 2.25 3.38 -0.62 -2.31 115.31 115.15 2e0m h LEU 32 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2e0m h LEU 32 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2e0m h LEU 32 CO 0.01 0.24 0.00 0.54 0.09 0.00 0.00 178.44 179.32 2e0m n ARG 33 N -3.97 3.12 -2.07 1.13 5.12 -0.40 -4.94 116.66 114.64 2e0m n ARG 33 Ca -0.02 -2.37 -0.16 0.00 -1.93 0.00 0.00 57.85 53.37 2e0m n ARG 33 Cb 0.31 -1.73 -0.02 0.00 -1.16 0.00 0.00 32.46 29.86 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 1.01 -4.81 -1.02 0.55 5.03 -0.87 -4.82 115.26 110.33 2e0m n ASN 34 Ca 0.22 0.10 0.09 0.00 0.87 0.00 0.00 54.58 55.85 2e0m n ASN 34 Cb 0.72 -3.87 0.24 0.00 -1.02 0.00 0.00 39.78 35.85 2e0m n ASN 34 CO 0.00 0.00 0.00 0.23 -1.83 0.00 0.00 177.26 175.66 2e0m n MET 35 N -2.53 2.31 -0.16 3.52 2.81 -0.18 -3.53 117.12 119.36 2e0m n MET 35 Ca -0.18 -1.98 0.06 0.00 -1.81 0.00 0.00 57.70 53.79 2e0m n MET 35 Cb 0.61 -1.44 0.08 0.00 -0.71 0.00 0.00 33.22 31.76 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 1.08 1.22 -3.21 2.03 -2.24 -1.21 -1.05 114.28 110.90 2e0m n THR 36 Ca 0.18 -1.44 -0.40 0.00 -2.27 0.00 0.00 64.05 60.12 2e0m n THR 36 Cb 0.47 0.10 -0.07 0.00 -2.10 0.00 0.00 70.33 68.74 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 -1.79 4.15 0.00 -0.78 -1.52 -1.23 -4.29 119.66 114.20 2e0m s GLN 37 Ca 0.18 0.43 0.00 0.00 -1.95 0.00 0.00 55.36 54.02 2e0m s GLN 37 Cb 0.16 -3.60 0.00 0.00 -0.22 0.00 0.00 33.01 29.35 2e0m s GLN 37 CO 0.02 -0.24 0.00 0.41 -0.25 0.00 0.00 175.29 175.22 2e0m n GLY 38 N 4.04 1.82 3.39 3.09 0.00 -1.26 -4.85 105.19 111.42 2e0m n GLY 38 Ca -0.04 -0.29 -0.12 0.00 0.00 0.00 0.00 46.02 45.58 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 1.21 -0.41 1.61 1.70 -1.26 -5.04 118.95 116.76 2e0m s ARG 39 Ca 0.00 -0.54 -0.29 0.00 -0.47 0.00 0.00 55.73 54.43 2e0m s ARG 39 Cb 0.00 0.55 0.02 0.00 -0.57 0.00 0.00 34.95 34.95 2e0m s ARG 39 CO 0.00 -0.51 1.18 0.00 -1.08 0.00 0.00 175.30 174.89 2e0m n LYS 41 N 7.58 2.32 -0.18 0.00 4.81 -0.22 -4.87 118.16 127.61 2e0m n LYS 41 Ca 0.13 0.84 -0.08 0.00 -0.87 0.00 0.00 58.31 58.33 2e0m n LYS 41 Cb 0.48 -2.67 0.01 0.00 0.02 0.00 0.00 35.03 32.87 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 7.76 0.80 -3.53 1.64 0.11 -1.93 -3.42 132.00 133.43 2e0m h PRO 42 Ca -0.47 -0.17 -0.18 0.00 0.11 0.00 0.00 66.00 65.29 2e0m h PRO 42 Cb 1.25 -0.12 -0.25 0.00 0.11 0.00 0.00 31.00 32.00 2e0m h PRO 42 CO 0.92 0.74 -0.58 0.08 -0.21 0.00 0.00 178.00 178.95 2e0m s VAL 43 N -5.42 0.03 -0.15 3.15 1.01 -1.26 -0.00 120.40 117.76 2e0m s VAL 43 Ca -0.13 -0.26 -0.25 0.00 0.00 0.00 0.00 61.98 61.34 2e0m s VAL 43 Cb 0.12 -0.23 0.06 0.00 0.00 0.00 0.00 36.38 36.33 2e0m s VAL 43 CO 0.79 -0.14 0.64 0.21 0.00 0.00 0.00 175.10 176.60 2e0m s ASN 44 N -0.44 -0.64 -0.12 3.32 2.47 -0.31 -4.99 114.94 114.22 2e0m s ASN 44 Ca -0.05 1.00 0.00 0.00 0.42 0.00 0.00 52.86 54.23 2e0m s ASN 44 Cb -0.03 0.96 -0.02 0.00 -1.45 0.00 0.00 41.25 40.71 2e0m s ASN 44 CO 0.00 -0.39 -0.13 -0.89 -3.72 0.00 0.00 177.10 171.97 2e0m s THR 45 N -0.37 3.06 -0.02 -5.21 2.01 -1.26 -0.04 115.64 113.81 2e0m s THR 45 Ca -0.05 -0.66 0.00 0.00 0.31 0.00 0.00 61.69 61.29 2e0m s THR 45 Cb -0.03 -2.28 -0.04 0.00 0.01 0.00 0.00 72.50 70.17 2e0m s THR 45 CO 0.05 0.53 0.02 -0.36 -0.69 0.00 0.00 174.62 174.16 2e0m s PHE 46 N 0.26 3.14 -0.21 4.92 0.08 -0.09 -4.39 117.98 121.68 2e0m s PHE 46 Ca -0.09 0.14 -0.03 0.00 0.12 0.00 0.00 56.93 57.06 2e0m s PHE 46 Cb -0.16 -1.71 -0.01 0.00 -0.57 0.00 0.00 43.02 40.58 2e0m s PHE 46 CO 0.05 0.48 -0.06 0.08 -0.10 0.00 0.00 175.22 175.68 2e0m s VAL 47 N -1.06 3.28 -1.17 -0.44 1.01 0.15 -0.68 120.40 121.48 2e0m s VAL 47 Ca 0.19 -0.53 -0.06 0.00 0.00 0.00 0.00 61.98 61.58 2e0m s VAL 47 Cb -0.12 -2.48 0.24 0.00 0.00 0.00 0.00 36.38 34.02 2e0m s VAL 47 CO 0.09 0.43 1.75 1.41 0.00 0.00 0.00 175.10 178.78 2e0m n HIS 48 N 4.74 2.56 -4.00 5.22 -0.00 0.61 -0.69 115.22 123.66 2e0m n HIS 48 Ca -0.18 -2.67 -0.08 0.00 -0.00 0.00 0.00 57.72 54.78 2e0m n HIS 48 Cb 0.51 -1.57 -0.09 0.00 -0.00 0.00 0.00 29.99 28.85 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 -1.56 0.80 0.43 -0.41 0.41 -1.26 -4.54 118.70 112.58 2e0m s GLU 49 Ca 0.37 -1.16 -0.25 0.00 -0.41 0.00 0.00 54.97 53.52 2e0m s GLU 49 Cb 0.09 0.28 -0.09 0.00 -1.78 0.00 0.00 34.13 32.63 2e0m s GLU 49 CO 0.03 -0.22 1.27 -2.30 -0.49 0.00 0.00 175.26 173.55 2e0m n PRO 50 N -0.02 1.90 -0.22 0.39 -0.02 -1.26 -4.12 135.00 131.65 2e0m n PRO 50 Ca -0.12 0.68 0.03 0.00 -2.02 0.00 0.00 63.50 62.07 2e0m n PRO 50 Cb 0.62 -2.40 0.14 0.00 -0.02 0.00 0.00 33.50 31.84 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 2.02 -0.08 -1.26 2.45 5.85 -1.97 -1.66 115.31 120.66 2e0m h LEU 51 Ca -0.48 0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.42 2e0m h LEU 51 Cb 1.30 0.21 -0.05 0.00 0.37 0.00 0.00 40.66 42.49 2e0m h LEU 51 CO 0.60 -0.05 0.52 1.62 -0.34 0.00 0.00 178.44 180.79 2e0m h VAL 52 N 0.22 1.10 -0.62 1.05 3.04 -1.99 0.80 116.25 119.85 2e0m h VAL 52 Ca 0.36 -0.33 -0.07 0.00 -1.01 0.00 0.00 66.70 65.65 2e0m h VAL 52 Cb 0.59 0.07 -0.02 0.00 -2.01 0.00 0.00 31.29 29.92 2e0m h VAL 52 CO -0.49 0.17 0.09 0.44 -1.01 0.00 0.00 177.57 176.78 2e0m h ASP 53 N 0.95 0.99 -0.19 3.17 3.32 -1.68 -0.51 116.42 122.46 2e0m h ASP 53 Ca 0.32 -0.26 -0.06 0.00 0.02 0.00 0.00 57.03 57.05 2e0m h ASP 53 Cb 0.09 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.37 2e0m h ASP 53 CO -0.10 1.00 -0.11 0.58 -1.72 0.00 0.00 179.24 178.89 2e0m h VAL 54 N 0.93 1.31 -0.80 -1.35 2.07 -0.96 -3.10 116.25 114.36 2e0m h VAL 54 Ca 0.19 -1.18 0.09 0.00 0.82 0.00 0.00 66.70 66.61 2e0m h VAL 54 Cb 0.44 1.68 -0.05 0.00 -1.52 0.00 0.00 31.29 31.84 2e0m h VAL 54 CO 0.01 0.36 0.52 1.56 0.02 0.00 0.00 177.57 180.04 2e0m h GLN 55 N 0.09 0.75 0.00 1.57 4.20 -0.73 -1.20 115.11 119.79 2e0m h GLN 55 Ca 0.04 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2e0m h GLN 55 Cb 0.60 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.21 2e0m h GLN 55 CO 0.03 0.50 0.00 -0.91 -0.67 0.00 0.00 178.83 177.78 2e0m h ASN 56 N 0.77 0.00 -0.00 1.46 2.35 -1.01 -2.10 115.58 117.05 2e0m h ASN 56 Ca 0.36 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.11 2e0m h ASN 56 Cb 0.39 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.76 2e0m h ASN 56 CO -0.14 0.00 0.00 0.58 -1.65 0.00 0.00 177.43 176.22 2e0m h VAL 57 N 0.00 0.95 0.00 2.81 2.07 -1.20 -0.70 116.25 120.18 2e0m h VAL 57 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2e0m h VAL 57 Cb 0.33 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 2e0m h VAL 57 CO 0.00 0.00 0.02 0.00 0.02 0.00 0.00 177.57 177.61 2e0m n PHE 59 N -1.94 0.10 0.00 0.00 3.01 -0.27 -4.99 117.46 113.36 2e0m n PHE 59 Ca -0.01 -0.70 0.00 0.00 1.01 0.00 0.00 57.45 57.75 2e0m n PHE 59 Cb 0.04 -0.10 0.00 0.00 -0.01 0.00 0.00 39.48 39.41 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 -0.75 2.87 -2.61 -1.08 6.02 -0.33 -5.01 117.38 116.49 2e0m n GLN 60 Ca 0.08 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.64 2e0m n GLN 60 Cb 0.44 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.68 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 4.96 4.28 0.03 -1.09 2.12 -1.14 -4.88 118.70 122.98 2e0m s GLU 61 Ca 0.00 1.44 -0.30 0.00 0.36 0.00 0.00 54.97 56.46 2e0m s GLU 61 Cb 0.00 -3.64 -0.05 0.00 0.26 0.00 0.00 34.13 30.69 2e0m s GLU 61 CO 0.00 -0.59 1.23 0.21 -0.54 0.00 0.00 175.26 175.57 2e0m s LYS 62 N 3.03 4.39 0.13 4.30 2.20 -1.26 -0.32 119.74 132.21 2e0m s LYS 62 Ca 0.47 1.79 0.02 0.00 -0.36 0.00 0.00 55.97 57.89 2e0m s LYS 62 Cb -0.17 -3.41 -0.04 0.00 -1.51 0.00 0.00 37.83 32.70 2e0m s LYS 62 CO 0.10 -0.34 -0.04 0.14 -0.36 0.00 0.00 175.35 174.85 2e0m s VAL 63 N 1.43 0.71 0.16 4.02 -7.23 -0.05 -4.91 120.40 114.53 2e0m s VAL 63 Ca 0.59 -1.96 -0.30 0.00 -1.81 0.00 0.00 61.98 58.50 2e0m s VAL 63 Cb -0.29 -1.85 -0.08 0.00 0.56 0.00 0.00 36.38 34.72 2e0m s VAL 63 CO 0.28 -0.72 1.29 -0.89 -0.31 0.00 0.00 175.10 174.74 2e0m s THR 64 N -3.62 3.43 0.60 5.32 2.01 -1.26 -3.63 115.64 118.49 2e0m s THR 64 Ca 0.17 1.12 -0.18 0.00 0.31 0.00 0.00 61.69 63.10 2e0m s THR 64 Cb 0.05 -3.72 -0.03 0.00 0.01 0.00 0.00 72.50 68.82 2e0m s THR 64 CO -0.01 0.14 1.21 0.00 -0.69 0.00 0.00 174.62 175.27 2e0m h LYS 66 N 0.79 0.61 -0.24 0.00 1.79 -1.89 0.24 116.57 117.87 2e0m h LYS 66 Ca -0.50 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 57.93 2e0m h LYS 66 Cb 1.30 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.81 2e0m h LYS 66 CO 0.55 0.40 0.00 0.27 -1.08 0.00 0.00 179.45 179.59 2e0m n ASN 67 N -4.69 2.58 0.00 0.86 0.23 -1.26 -4.93 115.26 108.04 2e0m n ASN 67 Ca 0.23 -1.86 0.00 0.00 -0.53 0.00 0.00 54.58 52.42 2e0m n ASN 67 Cb 0.65 -0.15 0.00 0.00 -2.08 0.00 0.00 39.78 38.20 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 1.32 0.86 3.23 4.83 0.00 0.07 -5.00 105.19 110.50 2e0m n GLY 68 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.21 0.99 0.00 1.61 1.11 -1.26 -4.82 119.66 117.07 2e0m s GLN 69 Ca 0.00 -1.07 0.00 0.00 0.01 0.00 0.00 55.36 54.30 2e0m s GLN 69 Cb 0.00 -1.13 0.00 0.00 -1.01 0.00 0.00 33.01 30.87 2e0m s GLN 69 CO 0.00 0.26 0.00 0.41 0.01 0.00 0.00 175.29 175.97 2e0m n GLY 70 N 1.18 -0.51 3.26 3.09 0.00 -1.26 -4.64 105.19 106.32 2e0m n GLY 70 Ca -0.20 -1.76 -0.36 0.00 0.00 0.00 0.00 46.02 43.70 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 -1.93 4.90 0.19 1.61 0.01 -1.26 -4.64 114.94 113.82 2e0m s ASN 71 Ca 0.00 -0.94 0.09 0.00 -0.71 0.00 0.00 52.86 51.30 2e0m s ASN 71 Cb 0.00 -1.79 -0.04 0.00 0.41 0.00 0.00 41.25 39.83 2e0m s ASN 71 CO 0.00 -0.21 -0.07 0.00 -1.51 0.00 0.00 177.10 175.31 2e0m s TYR 73 N -1.82 -0.10 -0.15 0.00 2.02 -0.14 -0.87 117.35 116.28 2e0m s TYR 73 Ca 0.26 0.24 -0.05 0.00 -0.37 0.00 0.00 57.07 57.16 2e0m s TYR 73 Cb -0.08 0.03 -0.03 0.00 -0.40 0.00 0.00 41.96 41.47 2e0m s TYR 73 CO 0.16 -0.06 -0.00 0.21 -1.57 0.00 0.00 175.55 174.29 2e0m s LYS 74 N -0.00 3.67 0.40 -0.62 2.20 0.56 -1.14 119.74 124.80 2e0m s LYS 74 Ca -0.01 -0.45 -0.27 0.00 -0.36 0.00 0.00 55.97 54.89 2e0m s LYS 74 Cb -0.01 -2.99 -0.09 0.00 -1.51 0.00 0.00 37.83 33.23 2e0m s LYS 74 CO 0.00 0.32 1.39 -1.54 -0.36 0.00 0.00 175.35 175.16 2e0m s SER 75 N 0.18 6.25 0.26 1.43 1.04 -0.06 -2.88 113.70 119.91 2e0m s SER 75 Ca 0.01 2.84 -0.04 0.00 0.48 0.00 0.00 55.95 59.23 2e0m s SER 75 Cb -0.13 -2.65 0.32 0.00 0.10 0.00 0.00 66.02 63.66 2e0m s SER 75 CO 0.02 -0.91 1.85 0.78 0.98 0.00 0.00 173.24 175.96 2e0m h ASN 76 N 2.74 0.95 -2.03 7.02 2.35 -1.94 -3.45 115.58 121.23 2e0m h ASN 76 Ca -0.50 -0.12 -0.56 0.00 -0.55 0.00 0.00 56.30 54.57 2e0m h ASN 76 Cb 1.25 -0.24 -0.09 0.00 0.05 0.00 0.00 38.32 39.28 2e0m h ASN 76 CO 0.63 0.82 -0.60 -0.94 -1.65 0.00 0.00 177.43 175.69 2e0m s SER 77 N -6.42 4.54 -0.04 5.81 1.04 -1.26 -4.90 113.70 112.47 2e0m s SER 77 Ca -0.11 -0.75 -0.30 0.00 0.48 0.00 0.00 55.95 55.26 2e0m s SER 77 Cb 0.16 -0.75 -0.03 0.00 0.10 0.00 0.00 66.02 65.51 2e0m s SER 77 CO 0.81 -0.16 1.08 -0.55 0.98 0.00 0.00 173.24 175.40 2e0m s SER 78 N -3.75 7.20 0.18 7.02 0.15 -1.26 -4.44 113.70 118.80 2e0m s SER 78 Ca 0.34 1.70 0.06 0.00 0.70 0.00 0.00 55.95 58.75 2e0m s SER 78 Cb -0.04 -2.56 -0.04 0.00 -1.71 0.00 0.00 66.02 61.67 2e0m s SER 78 CO 0.21 -0.44 0.09 -0.04 1.20 0.00 0.00 173.24 174.26 2e0m s MET 79 N 1.69 2.72 -0.13 5.44 -1.94 0.50 -4.79 119.30 122.80 2e0m s MET 79 Ca 0.53 -0.99 -0.29 0.00 -1.71 0.00 0.00 55.69 53.22 2e0m s MET 79 Cb -0.22 -2.52 -0.03 0.00 2.01 0.00 0.00 34.83 34.06 2e0m s MET 79 CO 0.23 0.46 1.47 -1.01 -0.01 0.00 0.00 175.02 176.16 2e0m s HIS 80 N -1.81 2.38 0.26 -0.03 3.76 -1.26 -1.09 115.29 117.50 2e0m s HIS 80 Ca 0.30 0.60 0.02 0.00 -0.15 0.00 0.00 55.06 55.83 2e0m s HIS 80 Cb -0.09 -3.74 -0.05 0.00 1.11 0.00 0.00 32.58 29.80 2e0m s HIS 80 CO 0.22 -2.78 0.06 0.96 -0.85 0.00 0.00 174.74 172.35 2e0m s ILE 81 N 3.93 0.82 -0.04 0.60 -4.36 -0.01 -0.28 121.20 121.85 2e0m s ILE 81 Ca 0.65 -2.01 -0.00 0.00 -0.26 0.00 0.00 60.65 59.03 2e0m s ILE 81 Cb -0.27 -2.58 0.03 0.00 1.25 0.00 0.00 42.46 40.89 2e0m s ILE 81 CO 0.23 -0.10 -0.01 -0.89 0.24 0.00 0.00 174.94 174.41 2e0m s THR 82 N -3.57 0.30 -0.01 8.37 2.01 0.14 -1.15 115.64 121.74 2e0m s THR 82 Ca 0.35 0.07 -0.17 0.00 0.31 0.00 0.00 61.69 62.25 2e0m s THR 82 Cb 0.07 -0.40 -0.06 0.00 0.01 0.00 0.00 72.50 72.13 2e0m s THR 82 CO 0.12 0.20 0.47 -1.81 -0.69 0.00 0.00 174.62 172.91 2e0m s ASP 83 N 1.33 6.85 -0.12 3.53 1.01 -0.15 -0.92 116.67 128.20 2e0m s ASP 83 Ca -0.05 1.01 0.03 0.00 0.71 0.00 0.00 52.55 54.24 2e0m s ASP 83 Cb -0.13 -2.29 0.00 0.00 1.01 0.00 0.00 42.92 41.51 2e0m s ASP 83 CO -0.02 0.24 -0.22 0.00 0.21 0.00 0.00 175.17 175.38 2e0m s ARG 85 N 0.52 1.54 0.20 0.00 0.52 -0.80 -1.17 118.95 119.77 2e0m s ARG 85 Ca -0.14 -0.31 -0.33 0.00 -0.52 0.00 0.00 55.73 54.44 2e0m s ARG 85 Cb -0.17 -1.43 -0.13 0.00 0.52 0.00 0.00 34.95 33.74 2e0m s ARG 85 CO 0.05 -0.11 1.65 -0.11 0.02 0.00 0.00 175.30 176.79 2e0m n LEU 86 N 4.34 3.66 -4.76 2.53 7.94 1.00 -1.20 117.00 130.50 2e0m n LEU 86 Ca -0.18 1.08 -0.36 0.00 -1.11 0.00 0.00 56.01 55.44 2e0m n LEU 86 Cb 0.51 -1.52 0.02 0.00 0.53 0.00 0.00 43.42 42.96 2e0m n LEU 86 CO 0.21 -0.02 0.82 0.42 -1.11 0.00 0.00 177.39 177.71 2e0m s THR 87 N 0.92 2.89 0.23 1.96 -4.23 -0.08 -4.88 115.64 112.47 2e0m s THR 87 Ca 0.75 0.57 -0.06 0.00 -1.18 0.00 0.00 61.69 61.78 2e0m s THR 87 Cb -0.57 -3.24 0.19 0.00 1.34 0.00 0.00 72.50 70.22 2e0m s THR 87 CO 0.36 -0.10 1.81 -1.13 -0.54 0.00 0.00 174.62 175.02 2e0m h ASN 88 N 1.18 0.66 1.40 3.99 -1.24 -1.92 -2.93 115.58 116.72 2e0m h ASN 88 Ca -0.50 0.04 -0.02 0.00 0.71 0.00 0.00 56.30 56.52 2e0m h ASN 88 Cb 1.28 -0.09 -0.00 0.00 0.73 0.00 0.00 38.32 40.23 2e0m h ASN 88 CO 0.57 0.40 -0.12 1.23 -1.29 0.00 0.00 177.43 178.21 2e0m h GLY 89 N 0.78 0.00 -2.63 1.57 0.00 -1.97 -3.45 103.07 97.39 2e0m h GLY 89 Ca 0.37 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 47.22 2e0m h GLY 89 CO -0.22 0.00 0.16 -1.35 0.00 0.00 0.00 176.54 175.13 2e0m s SER 90 N -6.08 6.79 0.00 0.19 1.04 -1.11 -5.07 113.70 109.45 2e0m s SER 90 Ca 0.03 1.37 -0.06 0.00 0.48 0.00 0.00 55.95 57.78 2e0m s SER 90 Cb 0.08 -2.41 -0.00 0.00 0.10 0.00 0.00 66.02 63.78 2e0m s SER 90 CO 0.63 -0.27 0.11 0.00 0.98 0.00 0.00 173.24 174.70 2e0m s ARG 91 N -3.13 0.44 0.23 4.02 1.70 -0.98 -4.88 118.95 116.34 2e0m s ARG 91 Ca 0.56 -0.40 -0.29 0.00 -0.47 0.00 0.00 55.73 55.13 2e0m s ARG 91 Cb -0.10 0.18 -0.16 0.00 -0.57 0.00 0.00 34.95 34.30 2e0m s ARG 91 CO 0.18 -0.10 0.84 0.98 -1.08 0.00 0.00 175.30 176.12 2e0m n TYR 92 N 1.56 0.56 1.72 5.89 9.36 -1.26 -1.06 117.16 133.94 2e0m n TYR 92 Ca -0.22 0.82 0.14 0.00 3.32 0.00 0.00 57.90 61.96 2e0m n TYR 92 Cb 0.56 -2.13 0.69 0.00 -0.63 0.00 0.00 39.34 37.82 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 1.00 1.34 -2.52 2.98 -0.04 -1.26 -5.03 135.00 131.47 2e0m n PRO 93 Ca 0.14 -0.50 -0.41 0.00 -0.04 0.00 0.00 63.50 62.69 2e0m n PRO 93 Cb 0.27 -1.47 -0.03 0.00 -0.04 0.00 0.00 33.50 32.24 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 -1.93 6.15 -0.41 3.54 2.47 -0.23 -4.96 114.94 119.57 2e0m s ASN 94 Ca 0.41 -0.31 -0.04 0.00 0.42 0.00 0.00 52.86 53.34 2e0m s ASN 94 Cb 0.20 -2.56 0.11 0.00 -1.45 0.00 0.00 41.25 37.56 2e0m s ASN 94 CO 0.33 -1.82 0.22 0.00 -3.72 0.00 0.00 177.10 172.12 2e0m s ALA 96 N 1.18 3.38 0.02 0.00 0.00 -1.26 -4.88 121.76 120.21 2e0m s ALA 96 Ca 0.07 -1.00 0.03 0.00 0.00 0.00 0.00 51.96 51.06 2e0m s ALA 96 Cb -0.23 -1.35 -0.01 0.00 0.00 0.00 0.00 23.12 21.53 2e0m s ALA 96 CO -0.03 0.69 -0.08 0.71 0.00 0.00 0.00 175.76 177.04 2e0m s TYR 97 N -1.23 0.72 -0.04 0.00 2.02 -1.26 -0.90 117.35 116.66 2e0m s TYR 97 Ca 0.24 -0.29 -0.18 0.00 -0.37 0.00 0.00 57.07 56.47 2e0m s TYR 97 Cb -0.12 -0.44 -0.05 0.00 -0.40 0.00 0.00 41.96 40.95 2e0m s TYR 97 CO 0.15 -0.03 0.50 1.03 -1.57 0.00 0.00 175.55 175.64 2e0m s ARG 98 N -0.82 4.22 -0.20 -0.62 0.52 -0.34 -4.54 118.95 117.17 2e0m s ARG 98 Ca -0.02 0.55 -0.09 0.00 -0.52 0.00 0.00 55.73 55.65 2e0m s ARG 98 Cb -0.06 -3.34 -0.05 0.00 0.52 0.00 0.00 34.95 32.02 2e0m s ARG 98 CO 0.00 0.39 0.10 0.99 0.02 0.00 0.00 175.30 176.81 2e0m s THR 99 N -0.17 5.10 -0.35 0.02 2.01 -1.26 -1.90 115.64 119.09 2e0m s THR 99 Ca 0.27 0.08 0.00 0.00 0.31 0.00 0.00 61.69 62.35 2e0m s THR 99 Cb -0.17 -3.33 0.11 0.00 0.01 0.00 0.00 72.50 69.13 2e0m s THR 99 CO 0.14 0.43 0.15 -0.55 -0.69 0.00 0.00 174.62 174.10 2e0m s SER 100 N 0.51 3.83 0.31 3.53 0.15 0.25 -4.95 113.70 117.32 2e0m s SER 100 Ca 0.06 -1.97 -0.28 0.00 0.70 0.00 0.00 55.95 54.45 2e0m s SER 100 Cb -0.12 -0.87 -0.09 0.00 -1.71 0.00 0.00 66.02 63.22 2e0m s SER 100 CO 0.00 -0.36 1.10 -2.16 1.20 0.00 0.00 173.24 173.02 2e0m s PRO 101 N 1.20 4.50 0.28 5.44 0.04 -1.26 -0.98 135.00 144.22 2e0m s PRO 101 Ca 0.13 1.77 -0.18 0.00 0.04 0.00 0.00 61.00 62.76 2e0m s PRO 101 Cb -0.20 -3.03 0.02 0.00 0.04 0.00 0.00 34.50 31.33 2e0m s PRO 101 CO -0.15 0.09 0.67 -1.59 0.04 0.00 0.00 177.00 176.05 2e0m s LYS 102 N -1.72 1.78 -0.28 4.56 -2.85 -0.30 -4.96 119.74 115.97 2e0m s LYS 102 Ca 0.48 -1.11 -0.08 0.00 -1.00 0.00 0.00 55.97 54.26 2e0m s LYS 102 Cb -0.30 0.58 -0.01 0.00 -2.06 0.00 0.00 37.83 36.04 2e0m s LYS 102 CO 0.39 -0.80 0.10 -1.21 0.10 0.00 0.00 175.35 173.92 2e0m s GLU 103 N -3.76 3.34 0.03 1.78 0.41 -1.26 -0.83 118.70 118.41 2e0m s GLU 103 Ca 0.14 -0.70 -0.08 0.00 -0.41 0.00 0.00 54.97 53.93 2e0m s GLU 103 Cb -0.05 -3.41 -0.00 0.00 -1.78 0.00 0.00 34.13 28.89 2e0m s GLU 103 CO 0.08 -0.35 0.16 1.03 -0.49 0.00 0.00 175.26 175.69 2e0m s ARG 104 N 1.57 0.62 0.27 1.61 1.81 -0.25 -4.84 118.95 119.74 2e0m s ARG 104 Ca 0.04 -0.60 -0.29 0.00 -1.72 0.00 0.00 55.73 53.16 2e0m s ARG 104 Cb -0.16 0.25 -0.10 0.00 -0.45 0.00 0.00 34.95 34.50 2e0m s ARG 104 CO 0.04 -0.17 1.22 -1.01 -0.68 0.00 0.00 175.30 174.70 2e0m s HIS 105 N -2.30 3.31 0.05 -0.53 3.76 0.31 -0.37 115.29 119.52 2e0m s HIS 105 Ca -0.07 1.48 -0.01 0.00 -0.15 0.00 0.00 55.06 56.31 2e0m s HIS 105 Cb -0.03 -3.50 -0.04 0.00 1.11 0.00 0.00 32.58 30.12 2e0m s HIS 105 CO -0.03 -1.33 0.21 0.96 -0.85 0.00 0.00 174.74 173.70 2e0m s ILE 106 N -0.80 5.39 -0.15 0.60 -4.36 -1.26 -1.29 121.20 119.33 2e0m s ILE 106 Ca 0.49 -0.34 0.01 0.00 -0.26 0.00 0.00 60.65 60.55 2e0m s ILE 106 Cb -0.36 -3.61 0.02 0.00 1.25 0.00 0.00 42.46 39.76 2e0m s ILE 106 CO 0.44 0.17 -0.16 -0.63 0.24 0.00 0.00 174.94 175.01 2e0m s ILE 107 N -1.48 1.69 0.07 8.37 1.01 0.45 -0.88 121.20 130.43 2e0m s ILE 107 Ca 0.34 -0.71 0.07 0.00 0.00 0.00 0.00 60.65 60.35 2e0m s ILE 107 Cb -0.13 -1.57 -0.03 0.00 0.01 0.00 0.00 42.46 40.74 2e0m s ILE 107 CO 0.26 0.48 -0.19 0.68 0.00 0.00 0.00 174.94 176.17 2e0m s VAL 108 N 1.41 1.53 -0.01 2.92 -7.23 -0.29 -0.47 120.40 118.26 2e0m s VAL 108 Ca 0.04 -1.33 -0.18 0.00 -1.81 0.00 0.00 61.98 58.70 2e0m s VAL 108 Cb -0.13 -1.38 -0.06 0.00 0.56 0.00 0.00 36.38 35.37 2e0m s VAL 108 CO -0.11 0.01 0.52 0.00 -0.31 0.00 0.00 175.10 175.21 2e0m s ALA 109 N -1.02 3.56 0.14 1.32 0.00 -0.03 -0.97 121.76 124.76 2e0m s ALA 109 Ca 0.05 -0.07 0.11 0.00 0.00 0.00 0.00 51.96 52.05 2e0m s ALA 109 Cb -0.09 -2.61 -0.04 0.00 0.00 0.00 0.00 23.12 20.37 2e0m s ALA 109 CO 0.03 0.26 -0.26 0.00 0.00 0.00 0.00 175.76 175.79 2e0m s GLU 111 N -2.20 0.99 0.00 0.00 2.12 -0.53 -4.51 118.70 114.58 2e0m s GLU 111 Ca 0.15 0.07 0.00 0.00 0.36 0.00 0.00 54.97 55.56 2e0m s GLU 111 Cb -0.10 0.46 0.00 0.00 0.26 0.00 0.00 34.13 34.76 2e0m s GLU 111 CO 0.07 -0.34 0.00 0.41 -0.54 0.00 0.00 175.26 174.86 2e0m n GLY 112 N 0.57 -3.70 2.72 -1.50 0.00 -1.26 -1.99 105.19 100.03 2e0m n GLY 112 Ca -0.16 -2.13 -0.29 0.00 0.00 0.00 0.00 46.02 43.44 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 -0.58 3.59 0.72 1.61 0.15 -1.26 -2.58 113.70 115.34 2e0m s SER 113 Ca 0.00 -1.30 -0.12 0.00 0.70 0.00 0.00 55.95 55.23 2e0m s SER 113 Cb 0.00 -0.73 0.03 0.00 -1.71 0.00 0.00 66.02 63.61 2e0m s SER 113 CO 0.00 -0.37 1.10 -2.16 1.20 0.00 0.00 173.24 173.01 2e0m s PRO 114 N 1.74 2.51 -0.59 5.44 0.04 -1.26 -5.09 135.00 137.78 2e0m s PRO 114 Ca 0.05 1.26 -0.25 0.00 0.04 0.00 0.00 61.00 62.10 2e0m s PRO 114 Cb -0.17 -1.92 0.04 0.00 0.04 0.00 0.00 34.50 32.49 2e0m s PRO 114 CO -0.20 -1.46 1.04 -0.47 0.04 0.00 0.00 177.00 175.95 2e0m s TYR 115 N -2.66 2.68 0.15 0.56 5.04 -1.07 -4.85 117.35 117.20 2e0m s TYR 115 Ca 0.64 0.03 0.02 0.00 -2.44 0.00 0.00 57.07 55.31 2e0m s TYR 115 Cb -0.19 -4.27 -0.04 0.00 0.35 0.00 0.00 41.96 37.81 2e0m s TYR 115 CO 0.50 -1.52 -0.03 0.14 -1.34 0.00 0.00 175.55 173.29 2e0m s VAL 116 N 4.41 0.76 0.21 3.14 -7.23 -0.84 -4.83 120.40 116.01 2e0m s VAL 116 Ca 0.33 -1.98 -0.31 0.00 -1.81 0.00 0.00 61.98 58.21 2e0m s VAL 116 Cb -0.11 -1.97 -0.10 0.00 0.56 0.00 0.00 36.38 34.76 2e0m s VAL 116 CO 0.19 -0.62 1.49 -2.84 -0.31 0.00 0.00 175.10 173.02 2e0m s PRO 117 N -3.87 4.24 0.00 4.82 0.02 -1.26 -1.45 135.00 137.50 2e0m s PRO 117 Ca 0.20 2.33 0.00 0.00 0.02 0.00 0.00 61.00 63.54 2e0m s PRO 117 Cb 0.05 -3.13 0.00 0.00 0.02 0.00 0.00 34.50 31.44 2e0m s PRO 117 CO 0.01 -0.50 0.20 1.33 -0.33 0.00 0.00 177.00 177.70 2e0m n VAL 118 N 3.05 0.00 -3.66 3.83 0.24 0.63 -4.45 118.33 117.97 2e0m n VAL 118 Ca 0.10 -0.36 -0.09 0.00 -2.04 0.00 0.00 64.34 61.95 2e0m n VAL 118 Cb 0.39 1.15 -0.08 0.00 -1.47 0.00 0.00 33.84 33.84 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 -0.91 -0.38 6.34 5.65 -1.15 -4.71 115.29 119.80 2e0m s HIS 119 Ca 0.00 1.88 -0.23 0.00 0.25 0.00 0.00 55.06 56.96 2e0m s HIS 119 Cb 0.00 0.49 0.01 0.00 -1.18 0.00 0.00 32.58 31.90 2e0m s HIS 119 CO 0.00 -0.46 0.77 0.12 -0.65 0.00 0.00 174.74 174.52 2e0m s PHE 120 N 1.39 3.09 -0.18 3.88 2.19 -1.26 -0.85 117.98 126.23 2e0m s PHE 120 Ca -0.08 0.45 -0.16 0.00 0.33 0.00 0.00 56.93 57.47 2e0m s PHE 120 Cb -0.06 -3.42 -0.21 0.00 -1.31 0.00 0.00 43.02 38.02 2e0m s PHE 120 CO -0.15 -0.77 0.23 -3.47 1.83 0.00 0.00 175.22 172.88 2e0m n ASP 121 N 6.44 1.96 -3.71 6.13 2.03 0.38 -4.96 116.55 124.81 2e0m n ASP 121 Ca 0.02 0.34 -0.02 0.00 0.52 0.00 0.00 54.79 55.65 2e0m n ASP 121 Cb 0.48 -0.92 -0.01 0.00 -0.72 0.00 0.00 41.12 39.95 2e0m n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2e0m s ALA 122 N -2.44 -1.84 0.05 -1.67 0.00 -0.97 -4.88 121.76 110.01 2e0m s ALA 122 Ca -0.27 0.34 0.03 0.00 0.00 0.00 0.00 51.96 52.05 2e0m s ALA 122 Cb 0.07 0.54 -0.03 0.00 0.00 0.00 0.00 23.12 23.70 2e0m s ALA 122 CO 0.65 -1.03 -0.09 -1.54 0.00 0.00 0.00 175.76 173.74 2e0m s SER 123 N -2.93 1.06 0.01 0.00 1.04 -1.26 -0.42 113.70 111.19 2e0m s SER 123 Ca 0.13 -0.60 -0.07 0.00 0.48 0.00 0.00 55.95 55.89 2e0m s SER 123 Cb 0.01 0.02 -0.00 0.00 0.10 0.00 0.00 66.02 66.15 2e0m s SER 123 CO 0.00 -0.20 0.12 0.68 0.98 0.00 0.00 173.24 174.83 2e0m s VAL 124 N -1.53 0.09 0.05 5.02 -7.23 -0.41 -4.97 120.40 111.42 2e0m s VAL 124 Ca -0.07 -0.73 -0.14 0.00 -1.81 0.00 0.00 61.98 59.24 2e0m s VAL 124 Cb -0.09 -0.44 -0.31 0.00 0.56 0.00 0.00 36.38 36.10 2e0m s VAL 124 CO 0.00 -0.40 1.08 -0.08 -0.31 0.00 0.00 175.10 175.40 2e0m h GLU 125 N 4.26 0.57 -6.64 4.82 4.81 -1.88 0.89 114.58 121.41 2e0m h GLU 125 Ca -0.31 -0.83 -0.53 0.00 -0.13 0.00 0.00 59.36 57.56 2e0m h GLU 125 Cb 1.19 0.29 0.04 0.00 0.63 0.00 0.00 28.75 30.91 2e0m h GLU 125 CO 0.41 1.38 0.83 0.16 -0.73 0.00 0.00 179.01 181.06 2e0m s ASP 126 N -7.45 6.63 0.39 1.04 -4.77 -1.26 -4.59 116.67 106.65 2e0m s ASP 126 Ca -0.09 2.60 -0.15 0.00 -3.30 0.00 0.00 52.55 51.61 2e0m s ASP 126 Cb 0.05 -2.60 -0.08 0.00 -1.09 0.00 0.00 42.92 39.20 2e0m s ASP 126 CO 0.93 -0.77 0.81 -0.55 0.70 0.00 0.00 175.17 176.30 2e0m s SER 127 N 0.93 6.71 0.00 2.11 0.15 -1.26 -4.87 113.70 117.46 2e0m s SER 127 Ca 0.66 1.35 0.00 0.00 0.70 0.00 0.00 55.95 58.66 2e0m s SER 127 Cb -0.42 -2.40 0.00 0.00 -1.71 0.00 0.00 66.02 61.48 2e0m s SER 127 CO 0.34 -0.34 0.00 0.41 1.20 0.00 0.00 173.24 174.86