#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rsp s ALA 2 N 0.00 -0.02 -0.03 1.96 0.00 -1.26 -5.08 121.76 117.34 2rsp s ALA 2 Ca 0.00 0.42 -0.01 0.00 0.00 0.00 0.00 51.96 52.37 2rsp s ALA 2 Cb 0.00 -0.50 0.03 0.00 0.00 0.00 0.00 23.12 22.65 2rsp s ALA 2 CO 0.00 -0.30 0.05 1.41 0.00 0.00 0.00 175.76 176.92 2rsp s MET 3 N 1.60 -0.06 0.27 0.00 0.00 -1.26 -5.07 119.30 114.79 2rsp s MET 3 Ca -0.03 0.30 -0.29 0.00 0.00 0.00 0.00 55.69 55.66 2rsp s MET 3 Cb -0.12 -0.38 -0.09 0.00 0.00 0.00 0.00 34.83 34.23 2rsp s MET 3 CO -0.04 -0.25 1.13 0.99 0.00 0.00 0.00 175.02 176.84 2rsp s THR 4 N 1.66 3.42 -0.13 10.11 2.01 -1.26 -5.01 115.64 126.45 2rsp s THR 4 Ca -0.02 1.40 -0.25 0.00 0.31 0.00 0.00 61.69 63.14 2rsp s THR 4 Cb -0.12 -3.89 -0.02 0.00 0.01 0.00 0.00 72.50 68.47 2rsp s THR 4 CO -0.03 0.32 0.81 -0.04 -0.69 0.00 0.00 174.62 174.99 2rsp s MET 5 N -1.36 4.36 -0.00 4.92 1.00 -1.26 -4.93 119.30 122.03 2rsp s MET 5 Ca 0.46 1.01 0.05 0.00 0.00 0.00 0.00 55.69 57.20 2rsp s MET 5 Cb -0.33 -3.53 -0.01 0.00 0.00 0.00 0.00 34.83 30.96 2rsp s MET 5 CO 0.42 -0.19 -0.16 -1.21 0.00 0.00 0.00 175.02 173.88 2rsp s GLU 6 N 1.67 1.22 0.14 2.03 2.02 -1.26 -5.05 118.70 119.47 2rsp s GLU 6 Ca 0.39 -0.60 -0.16 0.00 0.02 0.00 0.00 54.97 54.62 2rsp s GLU 6 Cb -0.17 -1.19 0.01 0.00 0.10 0.00 0.00 34.13 32.87 2rsp s GLU 6 CO 0.15 0.32 1.71 1.25 0.02 0.00 0.00 175.26 178.72 2rsp h HIS 7 N 5.59 0.61 0.00 1.61 -0.00 -2.02 -3.29 115.15 117.65 2rsp h HIS 7 Ca -0.36 -0.03 -0.11 0.00 -0.00 0.00 0.00 60.37 59.87 2rsp h HIS 7 Cb 1.16 -0.19 -0.02 0.00 -0.00 0.00 0.00 27.41 28.37 2rsp h HIS 7 CO 0.42 0.51 -0.52 1.57 -0.00 0.00 0.00 177.93 179.90 2rsp h LYS 8 N 0.53 0.00 -5.15 5.26 2.10 -2.03 -3.43 116.57 113.85 2rsp h LYS 8 Ca 0.14 0.00 -0.65 0.00 -2.00 0.00 0.00 60.65 58.14 2rsp h LYS 8 Cb 0.13 0.00 -0.26 0.00 -0.90 0.00 0.00 32.23 31.20 2rsp h LYS 8 CO -0.02 0.52 -0.72 -0.51 -2.00 0.00 0.00 179.45 176.72 2rsp s ASP 9 N -6.48 4.32 0.44 7.07 1.11 -1.24 -5.11 116.67 116.78 2rsp s ASP 9 Ca 0.02 -0.32 -0.23 0.00 0.18 0.00 0.00 52.55 52.20 2rsp s ASP 9 Cb 0.09 -1.71 -0.08 0.00 1.07 0.00 0.00 42.92 42.29 2rsp s ASP 9 CO 0.74 0.07 1.16 -0.13 1.18 0.00 0.00 175.17 178.18 2rsp s ARG 10 N 0.94 3.85 -1.26 8.23 0.52 -1.26 -4.34 118.95 125.64 2rsp s ARG 10 Ca -0.01 1.76 -0.19 0.00 -0.52 0.00 0.00 55.73 56.77 2rsp s ARG 10 Cb -0.15 -2.47 0.01 0.00 0.52 0.00 0.00 34.95 32.86 2rsp s ARG 10 CO 0.00 -0.47 1.83 -0.35 0.02 0.00 0.00 175.30 176.34 2rsp n PRO 11 N -0.34 2.61 -3.66 3.54 -0.04 -1.26 -4.96 135.00 130.89 2rsp n PRO 11 Ca 0.06 -2.94 -0.35 0.00 -0.04 0.00 0.00 63.50 60.23 2rsp n PRO 11 Cb 0.48 -3.55 -0.05 0.00 -0.04 0.00 0.00 33.50 30.34 2rsp n PRO 11 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2rsp s LEU 12 N 6.22 4.37 0.12 1.53 1.43 -1.26 -1.91 118.68 129.19 2rsp s LEU 12 Ca 0.58 0.70 0.03 0.00 -1.03 0.00 0.00 54.13 54.41 2rsp s LEU 12 Cb 0.03 -2.76 -0.04 0.00 0.03 0.00 0.00 46.19 43.45 2rsp s LEU 12 CO 0.09 0.24 -0.08 0.68 0.23 0.00 0.00 176.35 177.50 2rsp s VAL 13 N -1.30 0.95 0.16 -1.59 -7.23 -0.24 -4.97 120.40 106.17 2rsp s VAL 13 Ca 0.29 -2.00 -0.13 0.00 -1.81 0.00 0.00 61.98 58.32 2rsp s VAL 13 Cb -0.14 -1.77 -0.07 0.00 0.56 0.00 0.00 36.38 34.96 2rsp s VAL 13 CO 0.16 -0.81 0.54 -0.13 -0.31 0.00 0.00 175.10 174.56 2rsp s ARG 14 N -3.79 3.94 -0.00 4.82 0.52 -1.24 -1.04 118.95 122.15 2rsp s ARG 14 Ca 0.14 0.44 0.03 0.00 -0.52 0.00 0.00 55.73 55.82 2rsp s ARG 14 Cb 0.04 -2.89 -0.01 0.00 0.52 0.00 0.00 34.95 32.61 2rsp s ARG 14 CO -0.02 0.46 -0.09 0.08 0.02 0.00 0.00 175.30 175.74 2rsp s VAL 15 N -1.52 0.73 -0.11 3.52 1.01 -0.66 -1.19 120.40 122.17 2rsp s VAL 15 Ca 0.39 -0.44 -0.03 0.00 0.00 0.00 0.00 61.98 61.90 2rsp s VAL 15 Cb -0.14 -0.62 -0.03 0.00 0.00 0.00 0.00 36.38 35.59 2rsp s VAL 15 CO 0.19 0.17 0.01 -0.51 0.00 0.00 0.00 175.10 174.96 2rsp s ILE 16 N -0.28 4.35 -0.11 2.22 2.07 0.61 -1.63 121.20 128.43 2rsp s ILE 16 Ca 0.03 -0.22 -0.02 0.00 -1.41 0.00 0.00 60.65 59.03 2rsp s ILE 16 Cb -0.04 -2.86 -0.03 0.00 0.13 0.00 0.00 42.46 39.66 2rsp s ILE 16 CO -0.00 0.56 -0.04 -0.76 -1.91 0.00 0.00 174.94 172.80 2rsp s LEU 17 N -0.47 3.32 -0.08 8.50 1.43 0.11 -1.34 118.68 130.15 2rsp s LEU 17 Ca 0.09 -0.02 0.01 0.00 -1.03 0.00 0.00 54.13 53.18 2rsp s LEU 17 Cb -0.12 -1.77 0.02 0.00 0.03 0.00 0.00 46.19 44.35 2rsp s LEU 17 CO 0.02 0.28 -0.11 -0.89 0.23 0.00 0.00 176.35 175.89 2rsp s THR 18 N -0.32 1.09 -0.26 5.49 2.01 0.04 -1.50 115.64 122.18 2rsp s THR 18 Ca 0.05 -0.41 -0.28 0.00 0.31 0.00 0.00 61.69 61.36 2rsp s THR 18 Cb -0.12 -1.03 0.01 0.00 0.01 0.00 0.00 72.50 71.37 2rsp s THR 18 CO 0.02 0.36 1.01 0.21 -0.69 0.00 0.00 174.62 175.53 2rsp s ASN 19 N 1.01 6.99 0.00 3.53 3.04 0.21 -0.50 114.94 129.22 2rsp s ASN 19 Ca -0.08 1.20 0.24 0.00 0.04 0.00 0.00 52.86 54.26 2rsp s ASN 19 Cb -0.15 -2.52 0.59 0.00 -1.54 0.00 0.00 41.25 37.63 2rsp s ASN 19 CO -0.00 -0.72 1.48 0.35 -3.04 0.00 0.00 177.10 175.17 2rsp n THR 20 N 5.50 0.15 -1.21 -5.21 -2.24 -1.06 -4.90 114.28 105.31 2rsp n THR 20 Ca 0.11 -0.45 -0.41 0.00 -2.27 0.00 0.00 64.05 61.03 2rsp n THR 20 Cb 0.47 0.88 -0.02 0.00 -2.10 0.00 0.00 70.33 69.55 2rsp n THR 20 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2rsp n GLY 21 N 1.29 -1.76 0.00 3.38 0.00 -1.26 -4.95 105.19 101.89 2rsp n GLY 21 Ca 0.17 0.22 0.02 0.00 0.00 0.00 0.00 46.02 46.43 2rsp n GLY 21 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2rsp n SER 22 N 1.83 0.00 -4.28 1.61 3.41 -1.26 -4.82 113.62 110.11 2rsp n SER 22 Ca 0.14 -1.31 -0.15 0.00 -0.26 0.00 0.00 58.87 57.29 2rsp n SER 22 Cb 0.25 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.10 2rsp n SER 22 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 2rsp s HIS 23 N -2.00 1.37 0.43 7.33 0.00 -1.26 -5.16 115.29 116.00 2rsp s HIS 23 Ca 0.07 -1.02 -0.18 0.00 -3.00 0.00 0.00 55.06 50.93 2rsp s HIS 23 Cb 0.03 -0.79 -0.09 0.00 -4.00 0.00 0.00 32.58 27.73 2rsp s HIS 23 CO 0.06 -0.19 0.90 -1.25 -1.00 0.00 0.00 174.74 173.26 2rsp s PRO 24 N -3.92 4.07 -0.01 -0.38 0.04 -1.26 -5.07 135.00 128.46 2rsp s PRO 24 Ca 0.28 0.93 -0.10 0.00 0.04 0.00 0.00 61.00 62.16 2rsp s PRO 24 Cb 0.06 -2.23 0.01 0.00 0.04 0.00 0.00 34.50 32.38 2rsp s PRO 24 CO 0.07 -0.06 0.20 0.14 0.04 0.00 0.00 177.00 177.39 2rsp s VAL 25 N -2.28 0.07 0.24 -0.36 -7.23 -1.26 -5.04 120.40 104.54 2rsp s VAL 25 Ca 0.59 -0.54 -0.06 0.00 -1.81 0.00 0.00 61.98 60.15 2rsp s VAL 25 Cb -0.10 -0.47 0.24 0.00 0.56 0.00 0.00 36.38 36.61 2rsp s VAL 25 CO 0.20 -0.30 1.90 0.11 -0.31 0.00 0.00 175.10 176.70 2rsp h LYS 26 N 4.34 1.30 -4.37 4.82 1.57 -1.98 -3.40 116.57 118.85 2rsp h LYS 26 Ca -0.30 -0.11 -0.52 0.00 -1.87 0.00 0.00 60.65 57.86 2rsp h LYS 26 Cb 1.19 -0.28 -0.35 0.00 0.08 0.00 0.00 32.23 32.87 2rsp h LYS 26 CO 0.40 0.90 -0.81 -0.65 -0.57 0.00 0.00 179.45 178.72 2rsp s GLN 27 N -6.00 1.59 0.01 3.15 -0.21 -1.26 -5.02 119.66 111.92 2rsp s GLN 27 Ca -0.13 -0.32 -0.03 0.00 0.02 0.00 0.00 55.36 54.89 2rsp s GLN 27 Cb 0.17 -1.49 -0.28 0.00 1.00 0.00 0.00 33.01 32.41 2rsp s GLN 27 CO 0.82 -0.13 0.89 -0.09 -2.12 0.00 0.00 175.29 174.66 2rsp h ARG 28 N 7.61 0.25 -5.97 2.91 9.65 -1.93 -3.46 114.38 123.45 2rsp h ARG 28 Ca -0.31 -0.43 -0.66 0.00 -1.10 0.00 0.00 59.98 57.48 2rsp h ARG 28 Cb 1.16 0.16 -0.31 0.00 -1.39 0.00 0.00 29.97 29.59 2rsp h ARG 28 CO 0.44 1.13 -0.87 -1.12 2.80 0.00 0.00 179.97 182.34 2rsp s SER 29 N -7.00 2.82 0.03 -3.80 0.01 -1.26 0.64 113.70 105.14 2rsp s SER 29 Ca -0.08 -0.46 0.01 0.00 1.31 0.00 0.00 55.95 56.73 2rsp s SER 29 Cb 0.07 -0.65 -0.02 0.00 0.21 0.00 0.00 66.02 65.63 2rsp s SER 29 CO 0.86 0.24 -0.05 0.68 0.41 0.00 0.00 173.24 175.37 2rsp s VAL 30 N -0.23 0.31 -0.17 3.43 -7.23 -0.56 -4.96 120.40 110.99 2rsp s VAL 30 Ca -0.00 -1.01 -0.07 0.00 -1.81 0.00 0.00 61.98 59.08 2rsp s VAL 30 Cb -0.12 -0.45 -0.04 0.00 0.56 0.00 0.00 36.38 36.33 2rsp s VAL 30 CO 0.02 -0.46 0.08 -0.31 -0.31 0.00 0.00 175.10 174.12 2rsp s TYR 31 N -1.48 3.30 0.33 2.82 2.02 -1.26 0.09 117.35 123.17 2rsp s TYR 31 Ca -0.13 0.17 0.04 0.00 -0.37 0.00 0.00 57.07 56.78 2rsp s TYR 31 Cb -0.10 -2.05 -0.03 0.00 -0.40 0.00 0.00 41.96 39.38 2rsp s TYR 31 CO -0.01 0.26 0.18 0.96 -1.57 0.00 0.00 175.55 175.37 2rsp s ILE 32 N 0.12 0.30 0.01 2.71 -4.36 -0.65 -4.99 121.20 114.35 2rsp s ILE 32 Ca 0.06 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.51 2rsp s ILE 32 Cb -0.12 -2.48 -0.02 0.00 1.25 0.00 0.00 42.46 41.09 2rsp s ILE 32 CO 0.00 0.00 -0.20 -0.89 0.24 0.00 0.00 174.94 174.10 2rsp s THR 33 N -3.51 1.57 0.05 8.37 2.01 -1.26 -1.65 115.64 121.21 2rsp s THR 33 Ca 0.35 -1.00 -0.04 0.00 0.31 0.00 0.00 61.69 61.30 2rsp s THR 33 Cb 0.04 -1.33 -0.02 0.00 0.01 0.00 0.00 72.50 71.20 2rsp s THR 33 CO 0.19 0.31 0.06 0.00 -0.69 0.00 0.00 174.62 174.49 2rsp s ALA 34 N -0.63 0.11 0.01 7.40 0.00 -0.21 -4.13 121.76 124.31 2rsp s ALA 34 Ca 0.07 -0.77 -0.19 0.00 0.00 0.00 0.00 51.96 51.07 2rsp s ALA 34 Cb -0.08 0.28 -0.06 0.00 0.00 0.00 0.00 23.12 23.26 2rsp s ALA 34 CO 0.00 -0.35 0.54 -1.17 0.00 0.00 0.00 175.76 174.78 2rsp s LEU 35 N -2.42 4.45 -0.54 0.00 2.96 -0.08 -1.08 118.68 121.96 2rsp s LEU 35 Ca -0.01 1.12 -0.29 0.00 -0.22 0.00 0.00 54.13 54.73 2rsp s LEU 35 Cb 0.02 -2.83 0.03 0.00 0.50 0.00 0.00 46.19 43.91 2rsp s LEU 35 CO -0.07 0.19 1.17 -0.76 -1.32 0.00 0.00 176.35 175.56 2rsp s LEU 36 N -0.55 3.52 -0.36 -0.68 1.43 -0.80 -1.39 118.68 119.84 2rsp s LEU 36 Ca 0.28 0.24 0.00 0.00 -1.03 0.00 0.00 54.13 53.62 2rsp s LEU 36 Cb -0.18 -3.31 0.10 0.00 0.03 0.00 0.00 46.19 42.83 2rsp s LEU 36 CO 0.16 -1.40 0.11 -0.62 0.23 0.00 0.00 176.35 174.83 2rsp s ASP 37 N 2.78 5.00 0.44 2.29 -1.08 -0.66 -4.85 116.67 120.58 2rsp s ASP 37 Ca 0.45 -1.96 0.30 0.00 -0.52 0.00 0.00 52.55 50.81 2rsp s ASP 37 Cb -0.07 -1.73 1.17 0.00 -1.46 0.00 0.00 42.92 40.83 2rsp s ASP 37 CO 0.28 -0.43 1.87 0.77 0.52 0.00 0.00 175.17 178.17 2rsp h SER 38 N 7.87 0.00 0.19 -0.34 4.64 -1.93 -2.49 113.55 121.49 2rsp h SER 38 Ca -0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 2rsp h SER 38 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 2rsp h SER 38 CO 0.60 0.00 -0.21 0.61 -0.87 0.00 0.00 176.83 176.96 2rsp n GLY 39 N 0.12 -0.50 3.74 -0.77 0.00 -1.26 -4.79 105.19 101.72 2rsp n GLY 39 Ca 0.01 -0.41 -0.35 0.00 0.00 0.00 0.00 46.02 45.27 2rsp n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rsp s ALA 40 N -2.42 3.62 0.26 4.61 0.00 -0.94 -5.00 121.76 121.89 2rsp s ALA 40 Ca 0.27 -0.70 0.07 0.00 0.00 0.00 0.00 51.96 51.59 2rsp s ALA 40 Cb 0.20 -1.97 0.32 0.00 0.00 0.00 0.00 23.12 21.67 2rsp s ALA 40 CO 0.49 0.34 1.60 -0.44 0.00 0.00 0.00 175.76 177.75 2rsp h ASP 41 N 6.05 0.16 -4.01 0.00 3.45 -1.89 0.38 116.42 120.56 2rsp h ASP 41 Ca -0.45 -0.09 -0.36 0.00 0.43 0.00 0.00 57.03 56.57 2rsp h ASP 41 Cb 1.18 -0.05 -0.16 0.00 -0.56 0.00 0.00 39.33 39.75 2rsp h ASP 41 CO 0.67 0.71 -0.73 0.27 -1.57 0.00 0.00 179.24 178.59 2rsp s ILE 42 N -3.74 1.21 0.06 0.35 -4.36 -1.26 -2.84 121.20 110.61 2rsp s ILE 42 Ca -0.03 -1.90 -0.28 0.00 -0.26 0.00 0.00 60.65 58.18 2rsp s ILE 42 Cb 0.12 -1.68 -0.05 0.00 1.25 0.00 0.00 42.46 42.10 2rsp s ILE 42 CO 0.78 -0.62 0.88 -0.89 0.24 0.00 0.00 174.94 175.34 2rsp s THR 43 N -2.82 4.68 -0.04 8.37 2.01 -1.26 -3.76 115.64 122.82 2rsp s THR 43 Ca 0.13 1.88 0.02 0.00 0.31 0.00 0.00 61.69 64.03 2rsp s THR 43 Cb -0.01 -4.24 0.02 0.00 0.01 0.00 0.00 72.50 68.28 2rsp s THR 43 CO 0.02 0.30 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.54 2rsp s ILE 44 N 0.23 0.69 -0.06 1.82 1.01 0.35 -2.23 121.20 123.02 2rsp s ILE 44 Ca 0.44 -0.24 -0.14 0.00 0.00 0.00 0.00 60.65 60.71 2rsp s ILE 44 Cb -0.22 -0.67 -0.05 0.00 0.01 0.00 0.00 42.46 41.54 2rsp s ILE 44 CO 0.26 0.25 0.37 -0.63 0.00 0.00 0.00 174.94 175.19 2rsp s ILE 45 N 0.68 5.15 0.67 2.92 -1.09 0.17 -1.03 121.20 128.67 2rsp s ILE 45 Ca -0.10 0.73 -0.16 0.00 -2.23 0.00 0.00 60.65 58.89 2rsp s ILE 45 Cb -0.13 -3.68 0.01 0.00 -1.58 0.00 0.00 42.46 37.08 2rsp s ILE 45 CO 0.01 0.52 1.15 -0.94 -1.23 0.00 0.00 174.94 174.45 2rsp s SER 46 N -0.59 4.85 0.49 3.58 1.04 -1.26 -2.63 113.70 119.18 2rsp s SER 46 Ca 0.22 2.18 0.19 0.00 0.48 0.00 0.00 55.95 59.01 2rsp s SER 46 Cb -0.15 -2.57 1.24 0.00 0.10 0.00 0.00 66.02 64.64 2rsp s SER 46 CO 0.10 -1.82 2.07 -0.33 0.98 0.00 0.00 173.24 174.25 2rsp h GLU 47 N 0.10 0.00 -0.54 4.02 5.08 -1.37 -2.17 114.58 119.70 2rsp h GLU 47 Ca -0.48 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.85 2rsp h GLU 47 Cb 1.27 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.50 2rsp h GLU 47 CO 0.53 0.11 0.21 1.49 -1.00 0.00 0.00 179.01 180.35 2rsp h GLU 48 N 0.00 0.80 0.00 2.33 4.81 -1.90 -3.24 114.58 117.38 2rsp h GLU 48 Ca -0.00 -0.15 -0.04 0.00 -0.13 0.00 0.00 59.36 59.05 2rsp h GLU 48 Cb 0.21 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 2rsp h GLU 48 CO 0.01 0.70 -0.17 -0.44 -0.73 0.00 0.00 179.01 178.39 2rsp h ASP 49 N 0.73 0.00 -2.77 1.04 3.32 -1.77 -3.46 116.42 113.50 2rsp h ASP 49 Ca 0.18 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.67 2rsp h ASP 49 Cb 0.20 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.73 2rsp h ASP 49 CO -0.01 0.17 1.04 0.86 -1.72 0.00 0.00 179.24 179.58 2rsp s TRP 50 N -3.20 2.30 0.17 4.55 -0.11 -1.04 -4.96 118.94 116.65 2rsp s TRP 50 Ca 0.05 0.57 -0.34 0.00 1.22 0.00 0.00 56.10 57.60 2rsp s TRP 50 Cb 0.06 -3.82 -0.14 0.00 -1.50 0.00 0.00 33.47 28.07 2rsp s TRP 50 CO 0.68 -2.84 1.53 -2.30 -4.62 0.00 0.00 176.95 169.40 2rsp n PRO 51 N 7.16 2.06 -0.30 5.86 -0.02 -1.26 -4.86 135.00 143.64 2rsp n PRO 51 Ca 0.17 0.74 0.10 0.00 -2.02 0.00 0.00 63.50 62.49 2rsp n PRO 51 Cb 0.44 -2.48 0.33 0.00 -0.02 0.00 0.00 33.50 31.77 2rsp n PRO 51 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 2rsp h THR 52 N 3.51 0.86 -0.50 3.45 1.35 -1.93 -0.33 112.91 119.33 2rsp h THR 52 Ca -0.45 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.14 2rsp h THR 52 Cb 1.26 -0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.68 2rsp h THR 52 CO 0.86 0.15 0.00 -0.90 -0.25 0.00 0.00 175.52 175.38 2rsp n ASP 53 N -4.58 2.82 -4.66 5.36 3.85 -1.26 -4.79 116.55 113.29 2rsp n ASP 53 Ca 0.18 -2.05 -0.42 0.00 -0.71 0.00 0.00 54.79 51.79 2rsp n ASP 53 Cb 0.43 -0.36 -0.04 0.00 -1.35 0.00 0.00 41.12 39.80 2rsp n ASP 53 CO 0.00 0.00 0.00 0.26 -1.01 0.00 0.00 177.20 176.45 2rsp s TRP 54 N -1.39 3.38 0.58 2.11 0.52 -0.13 -4.88 118.94 119.11 2rsp s TRP 54 Ca 0.34 1.20 -0.20 0.00 0.02 0.00 0.00 56.10 57.46 2rsp s TRP 54 Cb 0.18 -3.03 -0.04 0.00 -1.15 0.00 0.00 33.47 29.44 2rsp s TRP 54 CO 0.22 -0.30 1.32 -1.25 0.02 0.00 0.00 176.95 176.96 2rsp s PRO 55 N 2.42 2.98 0.28 4.98 0.04 -1.26 -4.92 135.00 139.52 2rsp s PRO 55 Ca 0.37 2.13 0.02 0.00 0.04 0.00 0.00 61.00 63.56 2rsp s PRO 55 Cb -0.16 -2.11 -0.06 0.00 0.04 0.00 0.00 34.50 32.21 2rsp s PRO 55 CO 0.10 -1.29 0.08 0.14 0.04 0.00 0.00 177.00 176.07 2rsp s VAL 56 N -1.36 0.82 0.06 -0.36 -7.23 -1.26 -1.12 120.40 109.93 2rsp s VAL 56 Ca 0.75 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.80 2rsp s VAL 56 Cb -0.38 -2.68 0.01 0.00 0.56 0.00 0.00 36.38 33.88 2rsp s VAL 56 CO 0.44 -0.02 0.25 0.00 -0.31 0.00 0.00 175.10 175.46 2rsp s MET 57 N -3.97 0.79 0.70 4.82 0.23 0.37 -4.68 119.30 117.56 2rsp s MET 57 Ca 0.37 -0.65 -0.11 0.00 -1.03 0.00 0.00 55.69 54.27 2rsp s MET 57 Cb 0.08 0.33 0.01 0.00 -1.53 0.00 0.00 34.83 33.73 2rsp s MET 57 CO 0.14 -0.25 1.07 -1.83 -2.03 0.00 0.00 175.02 172.12 2rsp s GLU 58 N -2.89 2.84 0.23 3.16 1.03 -1.26 -0.88 118.70 120.92 2rsp s GLU 58 Ca -0.03 1.01 0.05 0.00 0.03 0.00 0.00 54.97 56.04 2rsp s GLU 58 Cb 0.00 -1.98 -0.05 0.00 -0.80 0.00 0.00 34.13 31.31 2rsp s GLU 58 CO -0.06 -1.18 -0.05 0.00 -1.33 0.00 0.00 175.26 172.64 2rsp s ALA 59 N -2.98 1.94 -0.40 -0.84 0.00 -1.26 -4.68 121.76 113.54 2rsp s ALA 59 Ca 0.59 -1.75 0.01 0.00 0.00 0.00 0.00 51.96 50.81 2rsp s ALA 59 Cb -0.15 0.25 0.14 0.00 0.00 0.00 0.00 23.12 23.36 2rsp s ALA 59 CO 0.54 -0.13 0.23 0.00 0.00 0.00 0.00 175.76 176.40 2rsp s ALA 60 N -3.22 1.55 -0.86 0.00 0.00 -1.26 -5.07 121.76 112.90 2rsp s ALA 60 Ca 0.26 -2.25 -0.00 0.00 0.00 0.00 0.00 51.96 49.97 2rsp s ALA 60 Cb 0.04 -1.75 0.23 0.00 0.00 0.00 0.00 23.12 21.64 2rsp s ALA 60 CO 0.08 -2.08 0.82 0.41 0.00 0.00 0.00 175.76 174.99 2rsp n GLY 70 N 3.76 4.31 3.36 0.00 0.00 -1.26 -5.30 105.19 110.05 2rsp n GLY 70 Ca 0.11 -2.63 -0.30 0.00 0.00 0.00 0.00 46.02 43.20 2rsp n GLY 70 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2rsp s ILE 71 N -1.68 2.26 0.20 -0.61 2.07 -1.26 -5.11 121.20 117.07 2rsp s ILE 71 Ca 0.29 -1.30 -0.31 0.00 -1.41 0.00 0.00 60.65 57.93 2rsp s ILE 71 Cb -0.03 -1.88 -0.10 0.00 0.13 0.00 0.00 42.46 40.59 2rsp s ILE 71 CO -0.10 0.40 1.50 -2.16 -1.91 0.00 0.00 174.94 172.67 2rsp s PRO 72 N -1.16 4.24 0.06 3.50 0.04 -1.26 -5.03 135.00 135.39 2rsp s PRO 72 Ca 0.12 2.32 0.01 0.00 0.04 0.00 0.00 61.00 63.49 2rsp s PRO 72 Cb -0.10 -3.14 -0.03 0.00 0.04 0.00 0.00 34.50 31.27 2rsp s PRO 72 CO 0.02 -0.51 -0.06 0.00 0.04 0.00 0.00 177.00 176.49 2rsp s MET 73 N 0.38 0.63 0.50 4.56 0.23 -1.26 -4.54 119.30 119.79 2rsp s MET 73 Ca 0.64 -1.04 0.07 0.00 -1.03 0.00 0.00 55.69 54.33 2rsp s MET 73 Cb -0.43 -0.11 0.02 0.00 -1.53 0.00 0.00 34.83 32.79 2rsp s MET 73 CO 0.37 -0.02 0.45 1.03 -2.03 0.00 0.00 175.02 174.82 2rsp s ARG 74 N -2.84 2.36 0.02 3.16 0.52 -0.52 -4.35 118.95 117.31 2rsp s ARG 74 Ca 0.00 -1.78 0.08 0.00 -0.52 0.00 0.00 55.73 53.51 2rsp s ARG 74 Cb -0.01 -2.28 -0.02 0.00 0.52 0.00 0.00 34.95 33.16 2rsp s ARG 74 CO -0.04 -0.49 -0.23 0.15 0.02 0.00 0.00 175.30 174.71 2rsp s LYS 75 N -4.28 1.68 0.36 3.54 1.02 -0.06 -1.36 119.74 120.64 2rsp s LYS 75 Ca 0.43 -0.94 -0.28 0.00 0.02 0.00 0.00 55.97 55.20 2rsp s LYS 75 Cb -0.03 -1.74 -0.11 0.00 -0.52 0.00 0.00 37.83 35.43 2rsp s LYS 75 CO 0.26 0.46 1.44 0.45 -0.92 0.00 0.00 175.35 177.04 2rsp s SER 76 N -0.94 6.47 -0.07 2.83 0.15 -0.56 -0.48 113.70 121.11 2rsp s SER 76 Ca 0.09 2.94 -0.25 0.00 0.70 0.00 0.00 55.95 59.43 2rsp s SER 76 Cb -0.09 -2.66 -0.25 0.00 -1.71 0.00 0.00 66.02 61.31 2rsp s SER 76 CO 0.01 -0.77 0.96 -0.09 1.20 0.00 0.00 173.24 174.55 2rsp h ARG 77 N 3.22 0.16 -7.06 5.44 2.43 -1.40 -3.44 114.38 113.72 2rsp h ARG 77 Ca -0.50 -0.20 -0.48 0.00 -0.81 0.00 0.00 59.98 57.99 2rsp h ARG 77 Cb 1.23 0.06 0.01 0.00 -0.42 0.00 0.00 29.97 30.86 2rsp h ARG 77 CO 0.65 0.98 0.28 -0.51 -1.51 0.00 0.00 179.97 179.87 2rsp s ASP 78 N -6.40 6.59 0.23 -3.80 -0.00 -1.26 -5.06 116.67 106.96 2rsp s ASP 78 Ca -0.16 1.41 -0.30 0.00 -0.00 0.00 0.00 52.55 53.50 2rsp s ASP 78 Cb 0.00 -2.44 -0.09 0.00 -0.00 0.00 0.00 42.92 40.39 2rsp s ASP 78 CO 0.75 -0.52 0.95 -0.32 -0.00 0.00 0.00 175.17 176.03 2rsp s MET 79 N -3.99 4.82 0.07 8.23 -2.45 -1.26 -4.73 119.30 120.00 2rsp s MET 79 Ca 0.56 1.51 0.06 0.00 -1.25 0.00 0.00 55.69 56.57 2rsp s MET 79 Cb -0.10 -3.29 -0.04 0.00 1.25 0.00 0.00 34.83 32.66 2rsp s MET 79 CO 0.31 0.46 -0.11 0.42 1.05 0.00 0.00 175.02 177.16 2rsp s ILE 80 N -1.03 3.34 -0.09 10.11 -1.09 0.56 -2.57 121.20 130.43 2rsp s ILE 80 Ca 0.42 -1.15 -0.12 0.00 -2.23 0.00 0.00 60.65 57.56 2rsp s ILE 80 Cb -0.26 -2.51 -0.05 0.00 -1.58 0.00 0.00 42.46 38.06 2rsp s ILE 80 CO 0.32 0.21 0.29 -0.70 -1.23 0.00 0.00 174.94 173.82 2rsp s GLU 81 N -1.92 3.91 -0.19 2.79 2.12 0.35 -1.86 118.70 123.90 2rsp s GLU 81 Ca 0.19 0.13 0.01 0.00 0.36 0.00 0.00 54.97 55.67 2rsp s GLU 81 Cb -0.11 -3.29 0.02 0.00 0.26 0.00 0.00 34.13 31.01 2rsp s GLU 81 CO 0.11 0.55 -0.19 -1.17 -0.54 0.00 0.00 175.26 174.02 2rsp s LEU 82 N -0.48 2.25 -0.21 2.70 0.20 0.02 -0.78 118.68 122.38 2rsp s LEU 82 Ca 0.18 -0.71 -0.02 0.00 0.69 0.00 0.00 54.13 54.27 2rsp s LEU 82 Cb -0.14 -1.49 0.00 0.00 -0.43 0.00 0.00 46.19 44.13 2rsp s LEU 82 CO 0.07 -0.02 -0.09 -0.83 -0.29 0.00 0.00 176.35 175.19 2rsp s GLY 83 N 1.28 1.54 -0.17 7.98 0.00 -0.45 -1.84 107.32 115.65 2rsp s GLY 83 Ca 0.04 -1.20 -0.20 0.00 0.00 0.00 0.00 44.72 43.37 2rsp s GLY 83 CO -0.12 0.38 0.57 0.14 0.00 0.00 0.00 173.10 174.07 2rsp s VAL 84 N 1.41 5.08 -0.21 1.40 1.01 -1.26 -0.28 120.40 127.55 2rsp s VAL 84 Ca 0.05 1.09 -0.13 0.00 0.00 0.00 0.00 61.98 62.99 2rsp s VAL 84 Cb -0.14 -3.90 -0.05 0.00 0.00 0.00 0.00 36.38 32.30 2rsp s VAL 84 CO -0.06 0.19 0.27 -0.63 0.00 0.00 0.00 175.10 174.86 2rsp s ILE 85 N 1.48 5.30 0.70 2.22 1.01 -0.34 -1.48 121.20 130.09 2rsp s ILE 85 Ca 0.27 0.44 -0.11 0.00 0.00 0.00 0.00 60.65 61.25 2rsp s ILE 85 Cb -0.16 -3.60 0.01 0.00 0.01 0.00 0.00 42.46 38.72 2rsp s ILE 85 CO 0.11 0.32 1.06 0.20 0.00 0.00 0.00 174.94 176.64 2rsp s ASN 86 N 0.90 5.40 0.38 3.58 0.01 0.23 -3.74 114.94 121.70 2rsp s ASN 86 Ca 0.13 1.47 0.14 0.00 -0.71 0.00 0.00 52.86 53.90 2rsp s ASN 86 Cb -0.14 -2.35 0.98 0.00 0.41 0.00 0.00 41.25 40.15 2rsp s ASN 86 CO 0.05 -1.41 1.81 0.03 -1.51 0.00 0.00 177.10 176.07 2rsp h ARG 87 N -0.70 0.51 -0.17 -0.60 2.47 -1.97 -1.26 114.38 112.67 2rsp h ARG 87 Ca -0.45 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.24 2rsp h ARG 87 Cb 1.22 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 29.43 2rsp h ARG 87 CO 0.59 0.33 0.00 -0.40 0.56 0.00 0.00 179.97 181.05 2rsp n ASP 88 N -4.62 1.01 0.00 7.04 5.75 -1.26 -4.90 116.55 119.57 2rsp n ASP 88 Ca 0.22 -1.88 0.00 0.00 -0.01 0.00 0.00 54.79 53.12 2rsp n ASP 88 Cb 0.70 -0.11 0.00 0.00 -1.03 0.00 0.00 41.12 40.68 2rsp n ASP 88 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2rsp n GLY 89 N 0.86 0.77 3.79 6.12 0.00 -0.47 -5.05 105.19 111.21 2rsp n GLY 89 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 2rsp n GLY 89 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2rsp s SER 90 N -3.00 6.82 -0.11 1.61 1.04 -1.26 -4.73 113.70 114.07 2rsp s SER 90 Ca 0.00 1.90 -0.04 0.00 0.48 0.00 0.00 55.95 58.29 2rsp s SER 90 Cb 0.00 -2.57 -0.04 0.00 0.10 0.00 0.00 66.02 63.51 2rsp s SER 90 CO 0.00 -0.44 0.05 -0.76 0.98 0.00 0.00 173.24 173.07 2rsp s LEU 91 N -2.82 3.87 0.70 2.42 2.01 -1.26 -0.60 118.68 122.99 2rsp s LEU 91 Ca 0.59 0.24 -0.11 0.00 0.01 0.00 0.00 54.13 54.86 2rsp s LEU 91 Cb -0.17 -1.91 0.01 0.00 0.01 0.00 0.00 46.19 44.12 2rsp s LEU 91 CO 0.22 0.37 1.08 -1.61 1.01 0.00 0.00 176.35 177.42 2rsp s GLU 92 N -0.81 2.94 0.27 1.70 0.41 -0.55 -4.99 118.70 117.67 2rsp s GLU 92 Ca 0.13 0.57 -0.30 0.00 -0.41 0.00 0.00 54.97 54.96 2rsp s GLU 92 Cb -0.12 -2.02 -0.11 0.00 -1.78 0.00 0.00 34.13 30.11 2rsp s GLU 92 CO 0.03 -1.00 1.49 0.50 -0.49 0.00 0.00 175.26 175.79 2rsp s ARG 93 N -5.28 4.21 0.69 1.61 3.52 -1.26 -4.59 118.95 117.86 2rsp s ARG 93 Ca 0.58 2.40 -0.13 0.00 -0.13 0.00 0.00 55.73 58.45 2rsp s ARG 93 Cb -0.12 -3.08 0.01 0.00 -1.56 0.00 0.00 34.95 30.21 2rsp s ARG 93 CO 0.53 -0.49 1.10 -1.25 -0.81 0.00 0.00 175.30 174.37 2rsp s PRO 94 N -0.45 2.68 0.15 5.12 0.04 -1.26 -4.78 135.00 136.50 2rsp s PRO 94 Ca 0.61 1.28 0.09 0.00 0.04 0.00 0.00 61.00 63.02 2rsp s PRO 94 Cb -0.44 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.12 2rsp s PRO 94 CO 0.45 -1.33 -0.22 -0.51 0.04 0.00 0.00 177.00 175.44 2rsp s LEU 95 N -5.20 2.38 -0.13 -3.56 1.43 -0.77 -4.98 118.68 107.86 2rsp s LEU 95 Ca 0.64 -0.80 0.02 0.00 -1.03 0.00 0.00 54.13 52.96 2rsp s LEU 95 Cb -0.19 -0.98 0.00 0.00 0.03 0.00 0.00 46.19 45.05 2rsp s LEU 95 CO 0.46 0.06 -0.20 -0.76 0.23 0.00 0.00 176.35 176.14 2rsp s LEU 96 N -2.39 2.25 0.33 1.79 1.43 -1.26 -0.80 118.68 120.04 2rsp s LEU 96 Ca 0.14 -0.53 -0.17 0.00 -1.03 0.00 0.00 54.13 52.54 2rsp s LEU 96 Cb -0.08 -1.48 0.03 0.00 0.03 0.00 0.00 46.19 44.69 2rsp s LEU 96 CO 0.07 0.11 0.72 -1.48 0.23 0.00 0.00 176.35 176.00 2rsp s LEU 97 N 0.64 -0.01 -0.47 1.79 2.34 -0.77 -4.95 118.68 117.24 2rsp s LEU 97 Ca -0.10 -0.94 0.03 0.00 0.06 0.00 0.00 54.13 53.18 2rsp s LEU 97 Cb -0.16 2.63 0.12 0.00 -0.56 0.00 0.00 46.19 48.22 2rsp s LEU 97 CO 0.02 -1.49 0.21 -0.36 -1.06 0.00 0.00 176.35 173.67 2rsp s PHE 98 N -3.13 3.42 0.77 3.48 0.40 -1.26 0.21 117.98 121.87 2rsp s PHE 98 Ca 0.15 -3.03 -0.11 0.00 -0.60 0.00 0.00 56.93 53.35 2rsp s PHE 98 Cb -0.05 -2.92 0.06 0.00 0.51 0.00 0.00 43.02 40.62 2rsp s PHE 98 CO 0.10 -0.83 1.09 -1.25 0.70 0.00 0.00 175.22 175.02 2rsp s PRO 99 N 0.20 2.27 0.33 0.24 0.04 -1.26 -4.65 135.00 132.18 2rsp s PRO 99 Ca 0.14 1.09 -0.19 0.00 0.04 0.00 0.00 61.00 62.08 2rsp s PRO 99 Cb -0.23 -1.90 -0.10 0.00 0.04 0.00 0.00 34.50 32.31 2rsp s PRO 99 CO -0.03 -1.61 0.83 0.00 0.04 0.00 0.00 177.00 176.23 2rsp s ALA 100 N -2.94 3.24 -0.12 8.56 0.00 -0.95 -1.49 121.76 128.07 2rsp s ALA 100 Ca 0.61 0.24 0.03 0.00 0.00 0.00 0.00 51.96 52.84 2rsp s ALA 100 Cb -0.17 -2.95 -0.00 0.00 0.00 0.00 0.00 23.12 20.00 2rsp s ALA 100 CO 0.56 0.25 -0.21 0.08 0.00 0.00 0.00 175.76 176.44 2rsp s VAL 101 N -1.89 2.26 0.22 0.00 1.01 -0.47 -0.66 120.40 120.87 2rsp s VAL 101 Ca 0.54 -0.94 -0.21 0.00 0.00 0.00 0.00 61.98 61.36 2rsp s VAL 101 Cb -0.12 -1.89 0.04 0.00 0.00 0.00 0.00 36.38 34.41 2rsp s VAL 101 CO 0.18 0.55 0.64 0.00 0.00 0.00 0.00 175.10 176.47 2rsp s ALA 102 N 0.46 -1.31 -1.13 5.51 0.00 -1.08 -1.43 121.76 122.78 2rsp s ALA 102 Ca -0.15 -0.00 -0.21 0.00 0.00 0.00 0.00 51.96 51.60 2rsp s ALA 102 Cb -0.17 0.87 0.05 0.00 0.00 0.00 0.00 23.12 23.87 2rsp s ALA 102 CO 0.06 -0.90 1.59 1.41 0.00 0.00 0.00 175.76 177.91 2rsp s MET 103 N -3.85 3.69 0.30 0.00 1.75 -1.26 -1.04 119.30 118.88 2rsp s MET 103 Ca 0.07 -1.43 0.05 0.00 -1.25 0.00 0.00 55.69 53.13 2rsp s MET 103 Cb -0.03 -5.42 -0.06 0.00 2.84 0.00 0.00 34.83 32.16 2rsp s MET 103 CO -0.02 -2.30 -0.01 0.14 -0.65 0.00 0.00 175.02 172.17 2rsp s VAL 104 N 4.98 1.48 -1.28 10.11 -7.23 -1.26 -4.98 120.40 122.22 2rsp s VAL 104 Ca 0.50 -2.07 -0.09 0.00 -1.81 0.00 0.00 61.98 58.51 2rsp s VAL 104 Cb 0.01 -2.58 -0.07 0.00 0.56 0.00 0.00 36.38 34.30 2rsp s VAL 104 CO -0.02 -0.19 2.50 -1.14 -0.31 0.00 0.00 175.10 175.94 2rsp n ARG 105 N -0.63 2.86 0.00 4.82 0.00 -1.26 -4.71 116.66 117.75 2rsp n ARG 105 Ca -0.04 -1.91 0.00 0.00 -0.00 0.00 0.00 57.85 55.90 2rsp n ARG 105 Cb 0.65 -2.70 0.00 0.00 0.00 0.00 0.00 32.46 30.40 2rsp n ARG 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2rsp n GLY 106 N 3.75 2.46 3.81 5.14 0.00 -1.26 -4.99 105.19 114.10 2rsp n GLY 106 Ca 0.61 -1.76 -0.33 0.00 0.00 0.00 0.00 46.02 44.54 2rsp n GLY 106 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rsp s SER 107 N 0.00 6.31 -0.03 1.61 0.01 -1.26 -4.54 113.70 115.81 2rsp s SER 107 Ca 0.00 1.80 0.03 0.00 1.31 0.00 0.00 55.95 59.09 2rsp s SER 107 Cb 0.00 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.69 2rsp s SER 107 CO 0.00 -0.80 -0.11 -0.63 0.41 0.00 0.00 173.24 172.11 2rsp s ILE 108 N -2.25 0.93 -0.41 1.44 -1.09 -0.20 -0.90 121.20 118.73 2rsp s ILE 108 Ca 0.64 -0.44 -0.15 0.00 -2.23 0.00 0.00 60.65 58.47 2rsp s ILE 108 Cb -0.14 -0.82 0.02 0.00 -1.58 0.00 0.00 42.46 39.93 2rsp s ILE 108 CO 0.26 0.29 0.30 -0.76 -1.23 0.00 0.00 174.94 173.79 2rsp s LEU 109 N 0.19 5.10 1.03 2.97 1.43 -0.49 -0.49 118.68 128.43 2rsp s LEU 109 Ca -0.04 -0.90 -0.17 0.00 -1.03 0.00 0.00 54.13 51.99 2rsp s LEU 109 Cb -0.10 -2.16 0.23 0.00 0.03 0.00 0.00 46.19 44.19 2rsp s LEU 109 CO 0.01 -0.45 1.28 -0.83 0.23 0.00 0.00 176.35 176.59 2rsp s GLY 110 N 1.68 1.75 0.22 -3.19 0.00 -1.25 -1.65 107.32 104.88 2rsp s GLY 110 Ca 0.05 -1.19 0.21 0.00 0.00 0.00 0.00 44.72 43.79 2rsp s GLY 110 CO 0.10 -0.37 1.63 0.54 0.00 0.00 0.00 173.10 175.00 2rsp n ARG 111 N -4.03 0.14 -0.11 2.90 1.74 0.12 -1.72 116.66 115.70 2rsp n ARG 111 Ca 0.15 0.45 -0.10 0.00 -0.77 0.00 0.00 57.85 57.58 2rsp n ARG 111 Cb 0.59 -1.82 -0.02 0.00 -1.02 0.00 0.00 32.46 30.19 2rsp n ARG 111 CO 0.00 0.00 0.00 0.38 -1.52 0.00 0.00 177.63 176.49 2rsp h ASP 112 N 0.00 0.54 1.00 0.55 -0.00 -1.79 -2.01 116.42 114.71 2rsp h ASP 112 Ca 0.00 -0.27 -0.19 0.00 -0.00 0.00 0.00 57.03 56.57 2rsp h ASP 112 Cb 0.25 -0.14 -0.03 0.00 -0.00 0.00 0.00 39.33 39.41 2rsp h ASP 112 CO 0.00 0.67 -1.05 0.00 -0.00 0.00 0.00 179.24 178.86 2rsp h LEU 114 N 0.00 0.88 -0.32 0.00 3.38 -1.28 -1.78 115.31 116.19 2rsp h LEU 114 Ca -0.08 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.69 2rsp h LEU 114 Cb 1.68 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 42.19 2rsp h LEU 114 CO 0.09 0.79 -0.00 -0.61 0.09 0.00 0.00 178.44 178.80 2rsp h GLN 115 N 0.91 0.56 -0.23 1.13 4.15 -1.45 -0.83 115.11 119.35 2rsp h GLN 115 Ca 0.22 -0.18 -0.00 0.00 0.77 0.00 0.00 58.65 59.46 2rsp h GLN 115 Cb 0.16 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.79 2rsp h GLN 115 CO -0.02 0.70 0.12 0.78 -1.93 0.00 0.00 178.83 178.47 2rsp h GLY 116 N 0.36 0.33 0.96 2.39 0.00 -1.21 -1.52 103.07 104.38 2rsp h GLY 116 Ca 0.09 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.29 2rsp h GLY 116 CO 0.02 0.13 -0.30 1.04 0.00 0.00 0.00 176.54 177.43 2rsp n LEU 117 N -4.47 0.53 0.00 3.11 4.77 -0.71 -4.93 117.00 115.30 2rsp n LEU 117 Ca 0.00 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 2rsp n LEU 117 Cb 0.10 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 2rsp n LEU 117 CO 0.35 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 2rsp n GLY 118 N 1.42 0.48 3.81 -0.72 0.00 -0.57 -5.02 105.19 104.60 2rsp n GLY 118 Ca 0.09 -0.90 -0.32 0.00 0.00 0.00 0.00 46.02 44.89 2rsp n GLY 118 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2rsp s LEU 119 N 0.00 3.45 0.04 0.99 1.43 -0.36 -5.02 118.68 119.21 2rsp s LEU 119 Ca 0.00 1.73 0.03 0.00 -1.03 0.00 0.00 54.13 54.86 2rsp s LEU 119 Cb 0.00 -4.52 -0.02 0.00 0.03 0.00 0.00 46.19 41.68 2rsp s LEU 119 CO 0.00 -1.10 -0.09 0.00 0.23 0.00 0.00 176.35 175.38 2rsp s ARG 120 N -4.28 0.61 -0.24 1.70 1.70 -1.26 -4.81 118.95 112.38 2rsp s ARG 120 Ca 0.62 -0.70 -0.12 0.00 -0.47 0.00 0.00 55.73 55.05 2rsp s ARG 120 Cb -0.14 -0.48 -0.05 0.00 -0.57 0.00 0.00 34.95 33.71 2rsp s ARG 120 CO 0.40 0.10 0.24 -1.17 -1.08 0.00 0.00 175.30 173.79 2rsp s LEU 121 N -1.33 4.11 0.04 -1.89 2.96 -1.26 -5.08 118.68 116.24 2rsp s LEU 121 Ca -0.05 0.21 -0.27 0.00 -0.22 0.00 0.00 54.13 53.79 2rsp s LEU 121 Cb -0.09 -2.23 0.07 0.00 0.50 0.00 0.00 46.19 44.45 2rsp s LEU 121 CO 0.01 0.00 0.64 0.28 -1.32 0.00 0.00 176.35 175.96 2rsp s THR 122 N 1.25 0.00 -0.14 3.68 -1.32 -1.26 -4.99 115.64 112.85 2rsp s THR 122 Ca 0.11 -0.01 0.16 0.00 -1.21 0.00 0.00 61.69 60.74 2rsp s THR 122 Cb -0.14 -1.00 0.32 0.00 -1.51 0.00 0.00 72.50 70.17 2rsp s THR 122 CO 0.06 -0.00 1.16 -0.46 -2.21 0.00 0.00 174.62 173.17 2rsp n ASN 123 N 0.35 2.04 -0.83 8.08 0.23 -1.26 -5.11 115.26 118.77 2rsp n ASN 123 Ca -0.18 -3.25 0.13 0.00 -0.53 0.00 0.00 54.58 50.75 2rsp n ASN 123 Cb 0.60 -0.44 0.22 0.00 -2.08 0.00 0.00 39.78 38.08 2rsp n ASN 123 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51