#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ghp n ILE 7 N 0.00 0.00 0.00 2.02 -0.00 -1.26 -5.07 119.36 115.05 3ghp n ILE 7 Ca 0.00 -0.12 0.00 0.00 -0.00 0.00 0.00 62.75 62.63 3ghp n ILE 7 Cb 0.00 0.07 0.00 0.00 -0.00 0.00 0.00 39.64 39.71 3ghp n ILE 7 CO 0.00 0.00 0.00 2.29 -0.00 0.00 0.00 176.55 178.84 3ghp n LYS 8 N -0.04 0.00 0.00 6.28 2.85 -1.26 -5.20 118.16 120.79 3ghp n LYS 8 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 3ghp n LYS 8 Cb 0.04 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.42 3ghp n LYS 8 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3ghp n ALA 9 N -3.00 0.00 -2.95 0.58 0.00 -1.26 -4.89 120.51 108.99 3ghp n ALA 9 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.00 3ghp n ALA 9 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 3ghp n ALA 9 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3ghp s SER 10 N -4.00 6.19 0.24 0.00 0.01 -1.26 -4.25 113.70 110.63 3ghp s SER 10 Ca 0.00 -1.14 -0.03 0.00 1.31 0.00 0.00 55.95 56.09 3ghp s SER 10 Cb 0.00 -2.37 -0.03 0.00 0.21 0.00 0.00 66.02 63.84 3ghp s SER 10 CO 0.00 -1.27 0.25 -0.72 0.41 0.00 0.00 173.24 171.91 3ghp s TYR 11 N 3.43 1.04 0.05 2.43 -0.85 -1.12 -2.35 117.35 119.98 3ghp s TYR 11 Ca 0.18 -1.26 0.07 0.00 -0.52 0.00 0.00 57.07 55.54 3ghp s TYR 11 Cb -0.20 -0.37 -0.02 0.00 0.38 0.00 0.00 41.96 41.75 3ghp s TYR 11 CO 0.09 -0.78 -0.19 -1.50 -1.52 0.00 0.00 175.55 171.65 3ghp s ILE 12 N -3.96 1.51 0.29 -3.49 2.07 -1.08 -1.99 121.20 114.56 3ghp s ILE 12 Ca 0.35 -1.17 -0.09 0.00 -1.41 0.00 0.00 60.65 58.33 3ghp s ILE 12 Cb 0.04 -1.33 0.00 0.00 0.13 0.00 0.00 42.46 41.30 3ghp s ILE 12 CO 0.14 0.13 0.48 0.28 -1.91 0.00 0.00 174.94 174.05 3ghp s THR 13 N -0.84 0.00 -0.05 4.00 -1.32 -0.66 -1.82 115.64 114.94 3ghp s THR 13 Ca 0.06 -1.48 0.03 0.00 -1.21 0.00 0.00 61.69 59.09 3ghp s THR 13 Cb -0.09 -2.43 0.00 0.00 -1.51 0.00 0.00 72.50 68.48 3ghp s THR 13 CO 0.02 0.00 -0.14 -0.04 -2.21 0.00 0.00 174.62 172.24 3ghp s MET 14 N -3.55 1.70 -0.06 7.08 -1.94 -1.15 -2.14 119.30 119.24 3ghp s MET 14 Ca 0.26 -0.50 0.05 0.00 -1.71 0.00 0.00 55.69 53.79 3ghp s MET 14 Cb -0.00 -1.44 -0.02 0.00 2.01 0.00 0.00 34.83 35.38 3ghp s MET 14 CO 0.13 0.13 -0.21 0.20 -0.01 0.00 0.00 175.02 175.26 3ghp s GLY 15 N 0.33 1.38 0.45 -0.03 0.00 0.05 -3.97 107.32 105.52 3ghp s GLY 15 Ca -0.09 -1.03 -0.06 0.00 0.00 0.00 0.00 44.72 43.54 3ghp s GLY 15 CO 0.03 -0.67 0.76 -0.19 0.00 0.00 0.00 173.10 173.03 3ghp s TYR 16 N -0.31 3.54 -0.11 1.90 2.02 -1.26 -0.10 117.35 123.02 3ghp s TYR 16 Ca 0.01 0.83 -0.02 0.00 -0.37 0.00 0.00 57.07 57.52 3ghp s TYR 16 Cb -0.13 -2.30 -0.01 0.00 -0.40 0.00 0.00 41.96 39.12 3ghp s TYR 16 CO 0.02 -0.20 -0.04 0.38 -1.57 0.00 0.00 175.55 174.14 3ghp h ASP 17 N 0.56 0.00 -2.98 2.29 2.03 -1.52 -3.46 116.42 113.34 3ghp h ASP 17 Ca -0.47 0.00 -0.62 0.00 -0.73 0.00 0.00 57.03 55.20 3ghp h ASP 17 Cb 1.20 0.00 -0.08 0.00 -0.83 0.00 0.00 39.33 39.62 3ghp h ASP 17 CO 0.62 0.56 -0.36 -0.75 -1.03 0.00 0.00 179.24 178.28 3ghp s LYS 18 N -1.71 3.86 0.14 4.15 2.47 -1.26 -5.01 119.74 122.38 3ghp s LYS 18 Ca -0.04 0.08 -0.10 0.00 -1.56 0.00 0.00 55.97 54.36 3ghp s LYS 18 Cb 0.01 -3.28 -0.03 0.00 -1.46 0.00 0.00 37.83 33.06 3ghp s LYS 18 CO 0.05 0.57 1.46 -0.97 0.16 0.00 0.00 175.35 176.62 3ghp h ASN 19 N 5.50 0.95 -4.67 1.43 -1.24 -1.97 -3.46 115.58 112.12 3ghp h ASN 19 Ca -0.49 -0.47 -0.11 0.00 0.71 0.00 0.00 56.30 55.95 3ghp h ASN 19 Cb 1.20 -0.27 -0.21 0.00 0.73 0.00 0.00 38.32 39.77 3ghp h ASN 19 CO 0.65 1.26 -0.17 0.00 -1.29 0.00 0.00 177.43 177.88 3ghp s ALA 20 N -4.25 -1.05 0.15 1.57 0.00 -1.26 -4.68 121.76 112.24 3ghp s ALA 20 Ca -0.10 0.77 -0.06 0.00 0.00 0.00 0.00 51.96 52.57 3ghp s ALA 20 Cb 0.11 -0.17 -0.02 0.00 0.00 0.00 0.00 23.12 23.04 3ghp s ALA 20 CO 0.88 -0.26 0.20 0.00 0.00 0.00 0.00 175.76 176.57 3ghp s ALA 21 N -0.85 0.36 0.58 0.00 0.00 -1.26 -5.11 121.76 115.48 3ghp s ALA 21 Ca -0.09 -1.13 -0.01 0.00 0.00 0.00 0.00 51.96 50.73 3ghp s ALA 21 Cb -0.04 0.88 0.04 0.00 0.00 0.00 0.00 23.12 24.00 3ghp s ALA 21 CO 0.04 -0.59 0.83 -1.21 0.00 0.00 0.00 175.76 174.83 3ghp s GLU 22 N -4.00 2.49 0.35 0.00 0.41 -1.26 -4.89 118.70 111.80 3ghp s GLU 22 Ca 0.20 -0.64 -0.28 0.00 -0.41 0.00 0.00 54.97 53.84 3ghp s GLU 22 Cb 0.05 -2.42 -0.12 0.00 -1.78 0.00 0.00 34.13 29.86 3ghp s GLU 22 CO 0.01 -0.81 1.35 0.28 -0.49 0.00 0.00 175.26 175.60 3ghp n VAL 23 N -2.47 1.98 -0.04 2.63 0.31 -1.26 -1.54 118.33 117.94 3ghp n VAL 23 Ca 0.08 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.91 3ghp n VAL 23 Cb 0.60 -1.69 0.00 0.00 -0.91 0.00 0.00 33.84 31.83 3ghp n VAL 23 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ghp n GLY 24 N 0.70 2.86 3.88 2.92 0.00 -0.39 -4.96 105.19 110.19 3ghp n GLY 24 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 3ghp n GLY 24 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ghp s GLU 25 N -0.02 3.75 -0.10 1.61 2.02 -0.59 -4.77 118.70 120.61 3ghp s GLU 25 Ca 0.00 0.32 -0.05 0.00 0.02 0.00 0.00 54.97 55.25 3ghp s GLU 25 Cb 0.00 -2.51 -0.04 0.00 0.10 0.00 0.00 34.13 31.69 3ghp s GLU 25 CO 0.00 0.10 0.11 0.42 0.02 0.00 0.00 175.26 175.91 3ghp s ILE 26 N -2.18 5.19 -0.25 -1.63 1.01 -1.26 -1.85 121.20 120.22 3ghp s ILE 26 Ca 0.49 0.04 -0.05 0.00 0.00 0.00 0.00 60.65 61.13 3ghp s ILE 26 Cb -0.11 -3.27 0.00 0.00 0.01 0.00 0.00 42.46 39.10 3ghp s ILE 26 CO 0.28 0.58 0.01 -0.63 0.00 0.00 0.00 174.94 175.18 3ghp s ILE 27 N -1.03 3.57 -0.25 2.92 1.01 0.73 -4.90 121.20 123.25 3ghp s ILE 27 Ca 0.16 -0.63 -0.29 0.00 0.00 0.00 0.00 60.65 59.89 3ghp s ILE 27 Cb -0.12 -2.74 -0.01 0.00 0.01 0.00 0.00 42.46 39.60 3ghp s ILE 27 CO 0.05 0.25 1.35 -0.54 0.00 0.00 0.00 174.94 176.06 3ghp s LYS 28 N 1.47 3.97 -0.42 2.79 1.02 -1.26 -0.47 119.74 126.84 3ghp s LYS 28 Ca 0.04 1.43 -0.08 0.00 0.02 0.00 0.00 55.97 57.38 3ghp s LYS 28 Cb -0.16 -3.88 0.09 0.00 -0.52 0.00 0.00 37.83 33.36 3ghp s LYS 28 CO -0.01 -1.05 0.25 0.00 -0.92 0.00 0.00 175.35 173.62 3ghp s ALA 29 N 4.30 3.25 -0.18 5.17 0.00 0.11 -1.20 121.76 133.22 3ghp s ALA 29 Ca 0.59 -2.27 -0.13 0.00 0.00 0.00 0.00 51.96 50.15 3ghp s ALA 29 Cb -0.20 -2.59 -0.05 0.00 0.00 0.00 0.00 23.12 20.28 3ghp s ALA 29 CO 0.22 -1.70 0.28 0.99 0.00 0.00 0.00 175.76 175.55 3ghp s THR 30 N 1.35 5.31 0.06 0.00 2.01 0.86 -2.02 115.64 123.21 3ghp s THR 30 Ca 0.04 0.50 -0.25 0.00 0.31 0.00 0.00 61.69 62.29 3ghp s THR 30 Cb -0.23 -3.62 -0.06 0.00 0.01 0.00 0.00 72.50 68.60 3ghp s THR 30 CO 0.00 0.37 0.76 -0.69 -0.69 0.00 0.00 174.62 174.38 3ghp s VAL 31 N 0.60 4.69 -0.09 3.82 1.01 0.17 -0.77 120.40 129.83 3ghp s VAL 31 Ca 0.15 1.62 -0.15 0.00 0.00 0.00 0.00 61.98 63.60 3ghp s VAL 31 Cb -0.13 -4.11 0.03 0.00 0.00 0.00 0.00 36.38 32.18 3ghp s VAL 31 CO 0.04 0.39 0.38 -1.59 0.00 0.00 0.00 175.10 174.32 3ghp s LYS 32 N -0.22 0.59 0.11 2.72 -2.85 -0.91 -1.17 119.74 118.01 3ghp s LYS 32 Ca 0.38 0.23 0.10 0.00 -1.00 0.00 0.00 55.97 55.68 3ghp s LYS 32 Cb -0.21 0.27 -0.04 0.00 -2.06 0.00 0.00 37.83 35.80 3ghp s LYS 32 CO 0.23 -0.13 -0.25 0.96 0.10 0.00 0.00 175.35 176.26 3ghp s ILE 33 N -0.50 2.09 -0.12 3.79 -4.36 -0.20 -1.66 121.20 120.23 3ghp s ILE 33 Ca -0.06 -1.65 0.03 0.00 -0.26 0.00 0.00 60.65 58.71 3ghp s ILE 33 Cb -0.04 -1.86 0.01 0.00 1.25 0.00 0.00 42.46 41.83 3ghp s ILE 33 CO 0.03 0.08 -0.23 0.21 0.24 0.00 0.00 174.94 175.27 3ghp s ASN 34 N -1.91 3.11 -0.83 4.36 2.47 -0.84 -1.27 114.94 120.02 3ghp s ASN 34 Ca 0.12 -0.58 -0.04 0.00 0.42 0.00 0.00 52.86 52.77 3ghp s ASN 34 Cb -0.10 -1.43 0.01 0.00 -1.45 0.00 0.00 41.25 38.27 3ghp s ASN 34 CO 0.05 0.11 0.58 0.29 -3.72 0.00 0.00 177.10 174.41 3ghp n LYS 35 N 3.85 -1.31 -3.50 0.43 5.02 0.13 -2.78 118.16 120.00 3ghp n LYS 35 Ca -0.20 0.61 -0.42 0.00 -2.02 0.00 0.00 58.31 56.29 3ghp n LYS 35 Cb 0.52 -2.11 -0.10 0.00 -0.02 0.00 0.00 35.03 33.32 3ghp n LYS 35 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3ghp s ILE 36 N -3.02 5.21 -0.09 -0.18 -1.09 0.28 -4.49 121.20 117.82 3ghp s ILE 36 Ca 0.06 -0.51 -0.29 0.00 -2.23 0.00 0.00 60.65 57.67 3ghp s ILE 36 Cb -0.03 -3.82 -0.06 0.00 -1.58 0.00 0.00 42.46 36.97 3ghp s ILE 36 CO 0.86 -0.19 1.95 -0.89 -1.23 0.00 0.00 174.94 175.44 3ghp s THR 37 N 1.68 3.19 -1.34 2.92 2.01 -1.26 -2.58 115.64 120.27 3ghp s THR 37 Ca 0.05 0.22 -0.03 0.00 0.31 0.00 0.00 61.69 62.24 3ghp s THR 37 Cb -0.18 -3.18 0.00 0.00 0.01 0.00 0.00 72.50 69.15 3ghp s THR 37 CO 0.10 -0.06 0.40 0.59 -0.69 0.00 0.00 174.62 174.95 3ghp n ASN 38 N 8.87 -5.31 -4.63 3.53 4.13 -1.26 -4.75 115.26 115.83 3ghp n ASN 38 Ca 0.22 -0.19 -0.48 0.00 1.68 0.00 0.00 54.58 55.81 3ghp n ASN 38 Cb 0.43 -4.21 -0.04 0.00 -1.54 0.00 0.00 39.78 34.42 3ghp n ASN 38 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 3ghp n PHE 39 N -4.24 1.87 -0.58 3.10 -0.00 -1.06 -0.26 117.46 116.28 3ghp n PHE 39 Ca -0.12 0.48 0.00 0.00 -0.00 0.00 0.00 57.45 57.81 3ghp n PHE 39 Cb 0.61 -2.42 0.00 0.00 -0.00 0.00 0.00 39.48 37.67 3ghp n PHE 39 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 3ghp n SER 40 N 2.64 0.45 0.00 -2.13 3.41 0.40 -4.47 113.62 113.92 3ghp n SER 40 Ca 0.16 -1.03 0.00 0.00 -0.26 0.00 0.00 58.87 57.74 3ghp n SER 40 Cb 0.26 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 3ghp n SER 40 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ghp n GLY 41 N -0.01 1.77 3.19 5.00 0.00 -1.21 -0.83 105.19 113.09 3ghp n GLY 41 Ca 0.00 -0.73 -0.15 0.00 0.00 0.00 0.00 46.02 45.14 3ghp n GLY 41 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3ghp s TYR 42 N -2.00 1.13 -0.02 1.61 -0.85 -0.65 -0.34 117.35 116.23 3ghp s TYR 42 Ca 0.00 -0.64 0.00 0.00 -0.52 0.00 0.00 57.07 55.91 3ghp s TYR 42 Cb 0.00 -0.61 0.02 0.00 0.38 0.00 0.00 41.96 41.75 3ghp s TYR 42 CO 0.00 0.03 -0.00 -1.14 -1.52 0.00 0.00 175.55 172.92 3ghp s GLN 43 N -2.82 0.19 0.06 -3.49 0.74 0.20 -1.94 119.66 112.59 3ghp s GLN 43 Ca 0.07 0.04 0.02 0.00 0.05 0.00 0.00 55.36 55.53 3ghp s GLN 43 Cb -0.03 -0.32 -0.03 0.00 1.10 0.00 0.00 33.01 33.73 3ghp s GLN 43 CO 0.01 -0.07 -0.07 0.14 -0.55 0.00 0.00 175.29 174.74 3ghp s VAL 44 N 0.61 0.56 -0.21 1.34 -7.23 0.48 -1.20 120.40 114.75 3ghp s VAL 44 Ca -0.06 -1.31 0.01 0.00 -1.81 0.00 0.00 61.98 58.81 3ghp s VAL 44 Cb -0.09 -0.90 0.05 0.00 0.56 0.00 0.00 36.38 36.00 3ghp s VAL 44 CO -0.01 -0.53 -0.09 0.21 -0.31 0.00 0.00 175.10 174.37 3ghp s ASN 45 N -1.99 3.58 -0.09 4.85 2.47 0.12 -0.55 114.94 123.34 3ghp s ASN 45 Ca -0.04 -1.00 0.04 0.00 0.42 0.00 0.00 52.86 52.28 3ghp s ASN 45 Cb -0.06 -1.24 0.00 0.00 -1.45 0.00 0.00 41.25 38.50 3ghp s ASN 45 CO -0.01 -0.17 -0.23 -0.63 -3.72 0.00 0.00 177.10 172.34 3ghp s ILE 46 N 1.38 1.97 -0.12 -5.21 1.01 0.33 0.17 121.20 120.72 3ghp s ILE 46 Ca -0.03 -0.97 -0.05 0.00 0.00 0.00 0.00 60.65 59.60 3ghp s ILE 46 Cb -0.17 -1.70 -0.04 0.00 0.01 0.00 0.00 42.46 40.56 3ghp s ILE 46 CO -0.07 0.54 0.07 -0.75 0.00 0.00 0.00 174.94 174.72 3ghp s LYS 47 N 0.31 3.40 0.27 2.79 2.47 0.16 -0.65 119.74 128.50 3ghp s LYS 47 Ca -0.17 -0.29 -0.00 0.00 -1.56 0.00 0.00 55.97 53.95 3ghp s LYS 47 Cb -0.17 -3.04 -0.03 0.00 -1.46 0.00 0.00 37.83 33.13 3ghp s LYS 47 CO 0.08 0.62 0.28 1.52 0.16 0.00 0.00 175.35 178.00 3ghp s TYR 48 N -0.61 1.23 -0.44 4.03 -0.85 0.38 -1.71 117.35 119.38 3ghp s TYR 48 Ca 0.11 -1.37 -0.17 0.00 -0.52 0.00 0.00 57.07 55.11 3ghp s TYR 48 Cb -0.12 -0.44 0.03 0.00 0.38 0.00 0.00 41.96 41.82 3ghp s TYR 48 CO 0.02 -0.84 0.46 0.34 -1.52 0.00 0.00 175.55 174.02 3ghp s ASP 49 N -3.22 6.19 0.52 -0.18 2.15 -1.26 -4.20 116.67 116.67 3ghp s ASP 49 Ca 0.36 -0.78 0.34 0.00 0.43 0.00 0.00 52.55 52.90 3ghp s ASP 49 Cb 0.03 -2.23 1.53 0.00 -0.30 0.00 0.00 42.92 41.95 3ghp s ASP 49 CO 0.18 -0.64 2.01 -0.65 -0.17 0.00 0.00 175.17 175.90 3ghp h PRO 50 N 8.77 0.00 -0.02 4.34 0.11 -1.88 0.63 132.00 143.96 3ghp h PRO 50 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3ghp h PRO 50 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3ghp h PRO 50 CO 0.83 0.00 -0.13 0.25 -0.21 0.00 0.00 178.00 178.74 3ghp n THR 51 N -2.92 0.00 -0.00 -1.15 -2.24 -1.26 -4.37 114.28 102.34 3ghp n THR 51 Ca -0.00 -0.29 -0.00 0.00 -2.27 0.00 0.00 64.05 61.49 3ghp n THR 51 Cb 0.23 0.85 -0.00 0.00 -2.10 0.00 0.00 70.33 69.31 3ghp n THR 51 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3ghp n VAL 52 N 0.28 0.02 -4.17 2.28 0.31 -0.56 -4.39 118.33 112.09 3ghp n VAL 52 Ca 0.15 -0.01 -0.16 0.00 -0.01 0.00 0.00 64.34 64.31 3ghp n VAL 52 Cb 0.43 -0.68 -0.13 0.00 -0.91 0.00 0.00 33.84 32.56 3ghp n VAL 52 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3ghp s LEU 53 N -4.67 2.16 -0.13 7.52 1.43 0.11 -0.67 118.68 124.43 3ghp s LEU 53 Ca -0.00 -0.39 -0.00 0.00 -1.03 0.00 0.00 54.13 52.70 3ghp s LEU 53 Cb 0.00 -0.32 -0.02 0.00 0.03 0.00 0.00 46.19 45.88 3ghp s LEU 53 CO 0.01 -0.06 -0.12 -1.58 0.23 0.00 0.00 176.35 174.83 3ghp s GLN 54 N -1.04 3.38 -0.17 1.70 0.74 0.20 -4.21 119.66 120.26 3ghp s GLN 54 Ca -0.03 -0.67 -0.29 0.00 0.05 0.00 0.00 55.36 54.41 3ghp s GLN 54 Cb -0.07 -2.64 -0.04 0.00 1.10 0.00 0.00 33.01 31.35 3ghp s GLN 54 CO 0.00 0.23 1.81 0.00 -0.55 0.00 0.00 175.29 176.79 3ghp s ALA 55 N 0.32 3.21 0.07 1.58 0.00 -1.26 0.32 121.76 126.01 3ghp s ALA 55 Ca -0.10 0.70 0.04 0.00 0.00 0.00 0.00 51.96 52.59 3ghp s ALA 55 Cb -0.16 -3.90 -0.03 0.00 0.00 0.00 0.00 23.12 19.03 3ghp s ALA 55 CO 0.05 -2.06 -0.11 0.14 0.00 0.00 0.00 175.76 173.79 3ghp s VAL 56 N 5.73 0.86 0.09 0.00 -7.23 0.04 -1.22 120.40 118.67 3ghp s VAL 56 Ca 0.81 -1.35 -0.34 0.00 -1.81 0.00 0.00 61.98 59.29 3ghp s VAL 56 Cb -0.30 -1.02 -0.13 0.00 0.56 0.00 0.00 36.38 35.49 3ghp s VAL 56 CO 0.33 -0.39 1.69 -3.20 -0.31 0.00 0.00 175.10 173.22 3ghp n ASN 57 N 1.09 3.30 0.26 4.85 2.85 0.21 -1.65 115.26 126.17 3ghp n ASN 57 Ca -0.20 1.04 0.09 0.00 -0.11 0.00 0.00 54.58 55.41 3ghp n ASN 57 Cb 0.56 -1.42 0.68 0.00 1.24 0.00 0.00 39.78 40.83 3ghp n ASN 57 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3ghp h PRO 58 N 7.11 0.00 0.00 1.20 0.11 -1.88 0.39 132.00 138.93 3ghp h PRO 58 Ca -0.46 0.00 -0.35 0.00 0.11 0.00 0.00 66.00 65.30 3ghp h PRO 58 Cb 1.26 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.31 3ghp h PRO 58 CO 0.91 0.05 -2.23 0.36 -0.21 0.00 0.00 178.00 176.88 3ghp n LYS 59 N -4.28 0.50 0.17 1.05 0.00 -1.26 -4.66 118.16 109.68 3ghp n LYS 59 Ca -0.03 0.17 0.13 0.00 -0.00 0.00 0.00 58.31 58.58 3ghp n LYS 59 Cb 0.13 -1.36 0.44 0.00 -0.00 0.00 0.00 35.03 34.24 3ghp n LYS 59 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.40 179.19 3ghp h THR 60 N -0.41 0.00 0.00 0.58 1.35 -1.93 -3.46 112.91 109.03 3ghp h THR 60 Ca -0.52 -0.51 0.00 0.00 -0.55 0.00 0.00 66.41 64.83 3ghp h THR 60 Cb 1.61 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 69.46 3ghp h THR 60 CO -0.21 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.67 3ghp n GLY 61 N 0.62 2.17 3.68 5.82 0.00 0.14 -4.94 105.19 112.68 3ghp n GLY 61 Ca 0.03 0.00 -0.60 0.00 0.00 0.00 0.00 46.02 45.45 3ghp n GLY 61 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3ghp n VAL 62 N -0.74 0.20 -0.90 1.61 3.14 -1.26 -4.12 118.33 116.26 3ghp n VAL 62 Ca 0.00 -0.05 -0.33 0.00 -2.96 0.00 0.00 64.34 61.00 3ghp n VAL 62 Cb 0.00 -1.02 0.14 0.00 -1.06 0.00 0.00 33.84 31.90 3ghp n VAL 62 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3ghp n ALA 63 N 5.41 -0.77 -2.53 1.55 0.00 -1.26 0.68 120.51 123.59 3ghp n ALA 63 Ca 0.30 -0.46 -0.38 0.00 0.00 0.00 0.00 53.44 52.91 3ghp n ALA 63 Cb 0.07 -2.15 -0.06 0.00 0.00 0.00 0.00 19.45 17.32 3ghp n ALA 63 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3ghp s TYR 64 N -2.36 3.69 0.00 0.00 1.51 -0.35 -4.70 117.35 115.14 3ghp s TYR 64 Ca 0.68 0.99 0.00 0.00 -1.01 0.00 0.00 57.07 57.73 3ghp s TYR 64 Cb -0.26 -2.35 0.00 0.00 -0.11 0.00 0.00 41.96 39.24 3ghp s TYR 64 CO 0.56 0.54 0.00 0.25 -1.11 0.00 0.00 175.55 175.80 3ghp n THR 65 N 2.19 0.00 0.59 -0.71 -2.24 -1.26 -4.94 114.28 107.91 3ghp n THR 65 Ca -0.12 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.62 3ghp n THR 65 Cb 0.52 -1.59 0.04 0.00 -2.10 0.00 0.00 70.33 67.20 3ghp n THR 65 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3ghp n ASN 66 N -2.90 2.99 0.00 3.42 3.02 -1.26 -3.40 115.26 117.13 3ghp n ASN 66 Ca 0.00 -2.29 0.00 0.00 -0.03 0.00 0.00 54.58 52.26 3ghp n ASN 66 Cb 0.00 -0.56 0.00 0.00 -0.61 0.00 0.00 39.78 38.61 3ghp n ASN 66 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3ghp n SER 67 N 0.18 0.00 -4.74 6.41 7.64 -1.26 -3.71 113.62 118.14 3ghp n SER 67 Ca 0.11 -0.63 -0.37 0.00 1.01 0.00 0.00 58.87 58.98 3ghp n SER 67 Cb 0.69 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.94 3ghp n SER 67 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3ghp s SER 68 N 0.00 4.97 0.17 6.43 0.01 -1.22 -4.44 113.70 119.61 3ghp s SER 68 Ca 0.00 2.65 -0.00 0.00 1.31 0.00 0.00 55.95 59.90 3ghp s SER 68 Cb 0.00 -2.62 -0.04 0.00 0.21 0.00 0.00 66.02 63.57 3ghp s SER 68 CO 0.00 -1.76 0.34 -0.76 0.41 0.00 0.00 173.24 171.47 3ghp s LEU 69 N -3.97 4.27 0.56 2.44 1.02 -1.26 -4.37 118.68 117.37 3ghp s LEU 69 Ca 0.77 0.35 -0.18 0.00 0.02 0.00 0.00 54.13 55.10 3ghp s LEU 69 Cb -0.38 -3.10 -0.05 0.00 0.02 0.00 0.00 46.19 42.68 3ghp s LEU 69 CO 0.42 0.01 1.09 -2.16 0.02 0.00 0.00 176.35 175.73 3ghp s PRO 70 N -3.13 3.36 0.19 1.29 0.04 -1.26 -4.99 135.00 130.49 3ghp s PRO 70 Ca 0.37 1.41 -0.30 0.00 0.04 0.00 0.00 61.00 62.53 3ghp s PRO 70 Cb -0.11 -2.02 -0.08 0.00 0.04 0.00 0.00 34.50 32.32 3ghp s PRO 70 CO 0.28 -0.81 1.12 0.99 0.04 0.00 0.00 177.00 178.63 3ghp s THR 71 N -2.09 3.75 0.60 1.26 2.01 -0.56 -4.84 115.64 115.77 3ghp s THR 71 Ca 0.68 1.53 -0.19 0.00 0.31 0.00 0.00 61.69 64.02 3ghp s THR 71 Cb -0.19 -3.98 -0.03 0.00 0.01 0.00 0.00 72.50 68.31 3ghp s THR 71 CO 0.30 0.27 1.30 -0.44 -0.69 0.00 0.00 174.62 175.36 3ghp s SER 72 N -0.17 4.96 0.00 3.53 0.01 -1.26 -0.55 113.70 120.23 3ghp s SER 72 Ca 0.49 2.62 0.00 0.00 1.31 0.00 0.00 55.95 60.37 3ghp s SER 72 Cb -0.30 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.31 3ghp s SER 72 CO 0.36 -1.76 0.00 0.61 0.41 0.00 0.00 173.24 172.86 3ghp n GLY 73 N 0.76 3.26 0.15 3.44 0.00 -0.77 -4.62 105.19 107.41 3ghp n GLY 73 Ca 0.13 -1.91 -0.12 0.00 0.00 0.00 0.00 46.02 44.12 3ghp n GLY 73 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3ghp h GLU 74 N 0.00 -0.26 0.00 1.61 5.08 0.11 -3.45 114.58 117.67 3ghp h GLU 74 Ca 0.00 0.02 -0.33 0.00 -1.00 0.00 0.00 59.36 58.05 3ghp h GLU 74 Cb 0.00 0.06 0.15 0.00 0.50 0.00 0.00 28.75 29.46 3ghp h GLU 74 CO 0.00 0.12 0.23 1.28 -1.00 0.00 0.00 179.01 179.64 3ghp n LEU 75 N -5.02 0.00 0.00 1.33 4.77 0.15 -4.28 117.00 113.95 3ghp n LEU 75 Ca -0.09 -1.06 0.00 0.00 -0.03 0.00 0.00 56.01 54.83 3ghp n LEU 75 Cb 0.26 -0.81 0.00 0.00 -2.33 0.00 0.00 43.42 40.54 3ghp n LEU 75 CO 0.29 -1.54 0.00 0.18 -1.33 0.00 0.00 177.39 174.99 3ghp n LEU 76 N 0.00 0.98 -1.98 2.23 4.77 -1.26 -4.82 117.00 116.93 3ghp n LEU 76 Ca 0.13 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.87 3ghp n LEU 76 Cb 0.46 -2.25 0.05 0.00 -2.33 0.00 0.00 43.42 39.35 3ghp n LEU 76 CO 0.33 -0.88 0.47 1.33 -1.33 0.00 0.00 177.39 177.32 3ghp n VAL 77 N -1.96 2.74 -3.29 4.08 0.24 -1.26 -4.61 118.33 114.28 3ghp n VAL 77 Ca 0.00 -3.84 -0.40 0.00 -2.04 0.00 0.00 64.34 58.07 3ghp n VAL 77 Cb 0.39 -1.06 -0.08 0.00 -1.47 0.00 0.00 33.84 31.62 3ghp n VAL 77 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3ghp s SER 78 N -3.17 6.39 0.31 -1.34 0.15 -1.26 -4.93 113.70 109.85 3ghp s SER 78 Ca 0.53 0.47 0.02 0.00 0.70 0.00 0.00 55.95 57.66 3ghp s SER 78 Cb 0.43 -2.26 0.57 0.00 -1.71 0.00 0.00 66.02 63.05 3ghp s SER 78 CO 0.02 -0.24 1.92 -0.33 1.20 0.00 0.00 173.24 175.81 3ghp h GLU 79 N 7.99 0.95 -0.25 5.44 4.39 -1.99 -1.78 114.58 129.33 3ghp h GLU 79 Ca -0.30 -0.06 0.07 0.00 0.34 0.00 0.00 59.36 59.41 3ghp h GLU 79 Cb 1.15 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 29.57 3ghp h GLU 79 CO 0.70 0.63 0.46 -0.44 -1.16 0.00 0.00 179.01 179.19 3ghp h ASP 80 N 0.98 0.00 -0.38 1.42 3.32 -2.01 0.22 116.42 119.97 3ghp h ASP 80 Ca 0.38 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.43 3ghp h ASP 80 Cb 0.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.77 3ghp h ASP 80 CO -0.14 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.16 3ghp n TYR 81 N -3.30 0.50 -3.23 4.55 0.53 -0.67 -4.88 117.16 110.65 3ghp n TYR 81 Ca 0.04 -0.45 -0.10 0.00 -1.02 0.00 0.00 57.90 56.37 3ghp n TYR 81 Cb 0.58 -0.02 0.00 0.00 -1.03 0.00 0.00 39.34 38.87 3ghp n TYR 81 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3ghp n GLY 82 N 0.72 -1.17 3.75 2.72 0.00 0.77 -1.03 105.19 110.96 3ghp n GLY 82 Ca 0.13 0.69 -0.40 0.00 0.00 0.00 0.00 46.02 46.44 3ghp n GLY 82 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3ghp n PRO 83 N -1.61 2.25 -4.65 1.61 -0.02 -1.26 -1.83 135.00 129.49 3ghp n PRO 83 Ca -0.06 0.80 -0.23 0.00 -2.02 0.00 0.00 63.50 61.99 3ghp n PRO 83 Cb 0.55 -2.58 -0.15 0.00 -0.02 0.00 0.00 33.50 31.30 3ghp n PRO 83 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3ghp s ILE 84 N -1.18 1.13 0.02 4.25 1.01 -0.03 -4.92 121.20 121.48 3ghp s ILE 84 Ca 0.60 -0.58 0.04 0.00 0.00 0.00 0.00 60.65 60.71 3ghp s ILE 84 Cb -0.47 -0.96 -0.02 0.00 0.01 0.00 0.00 42.46 41.02 3ghp s ILE 84 CO 0.59 0.33 -0.13 0.54 0.00 0.00 0.00 174.94 176.27 3ghp s VAL 85 N -0.11 1.00 -0.08 2.92 0.11 -1.26 -1.45 120.40 121.54 3ghp s VAL 85 Ca 0.01 -0.80 -0.22 0.00 -2.93 0.00 0.00 61.98 58.04 3ghp s VAL 85 Cb -0.08 -0.89 0.05 0.00 -1.53 0.00 0.00 36.38 33.93 3ghp s VAL 85 CO 0.00 0.08 0.52 -1.58 -3.33 0.00 0.00 175.10 170.80 3ghp s GLN 86 N -0.82 0.82 -0.05 1.54 0.74 -0.50 -5.01 119.66 116.38 3ghp s GLN 86 Ca 0.02 0.23 0.05 0.00 0.05 0.00 0.00 55.36 55.71 3ghp s GLN 86 Cb -0.07 0.38 -0.00 0.00 1.10 0.00 0.00 33.01 34.42 3ghp s GLN 86 CO 0.01 -0.22 -0.20 0.20 -0.55 0.00 0.00 175.29 174.53 3ghp s GLY 87 N -0.87 1.08 -0.33 2.59 0.00 -1.26 -1.76 107.32 106.78 3ghp s GLY 87 Ca -0.09 -0.82 -0.01 0.00 0.00 0.00 0.00 44.72 43.80 3ghp s GLY 87 CO 0.06 -0.43 0.22 0.14 0.00 0.00 0.00 173.10 173.09 3ghp s VAL 88 N 0.03 -0.07 0.32 1.40 1.01 -0.08 -4.25 120.40 118.76 3ghp s VAL 88 Ca -0.06 -1.14 0.08 0.00 0.00 0.00 0.00 61.98 60.86 3ghp s VAL 88 Cb -0.13 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.22 3ghp s VAL 88 CO 0.03 -0.78 0.15 -1.00 0.00 0.00 0.00 175.10 173.50 3ghp s HIS 89 N 1.62 2.77 -0.66 5.22 3.76 -1.24 -3.25 115.29 123.49 3ghp s HIS 89 Ca 0.14 -0.33 0.05 0.00 -0.15 0.00 0.00 55.06 54.77 3ghp s HIS 89 Cb -0.18 -1.58 0.17 0.00 1.11 0.00 0.00 32.58 32.09 3ghp s HIS 89 CO -0.16 0.37 0.47 0.15 -0.85 0.00 0.00 174.74 174.71 3ghp s LYS 90 N -3.84 2.27 0.29 1.40 1.02 -0.76 -4.76 119.74 115.36 3ghp s LYS 90 Ca 0.37 -3.18 0.03 0.00 0.02 0.00 0.00 55.97 53.22 3ghp s LYS 90 Cb -0.04 -3.20 0.63 0.00 -0.52 0.00 0.00 37.83 34.71 3ghp s LYS 90 CO 0.23 -1.29 1.82 0.82 -0.92 0.00 0.00 175.35 176.01 3ghp h ILE 91 N 4.48 0.84 -0.74 2.17 2.04 -1.91 0.47 117.51 124.86 3ghp h ILE 91 Ca 0.15 -0.31 0.18 0.00 1.00 0.00 0.00 64.86 65.87 3ghp h ILE 91 Cb 0.78 -0.14 -0.04 0.00 -0.74 0.00 0.00 36.82 36.68 3ghp h ILE 91 CO 0.68 0.16 0.51 0.28 0.00 0.00 0.00 178.15 179.78 3ghp h SER 92 N 0.90 0.22 -0.13 1.72 0.02 -1.94 -1.69 113.55 112.66 3ghp h SER 92 Ca 0.52 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.49 3ghp h SER 92 Cb 0.65 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.16 3ghp h SER 92 CO -0.30 0.10 0.00 -0.62 -1.14 0.00 0.00 176.83 174.87 3ghp n GLU 93 N -4.42 2.25 -2.16 3.45 1.02 0.14 -4.84 120.64 116.08 3ghp n GLU 93 Ca 0.15 -1.97 -0.01 0.00 -0.02 0.00 0.00 57.16 55.31 3ghp n GLU 93 Cb 0.65 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 30.62 3ghp n GLU 93 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ghp n GLY 94 N 1.32 0.50 3.20 0.62 0.00 -0.63 -4.80 105.19 105.41 3ghp n GLY 94 Ca 0.15 -0.81 -0.27 0.00 0.00 0.00 0.00 46.02 45.10 3ghp n GLY 94 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ghp s ILE 95 N -2.30 1.59 0.01 -0.61 1.01 -1.11 0.14 121.20 119.92 3ghp s ILE 95 Ca 0.00 -0.85 0.06 0.00 0.00 0.00 0.00 60.65 59.86 3ghp s ILE 95 Cb -0.00 -1.32 -0.02 0.00 0.01 0.00 0.00 42.46 41.13 3ghp s ILE 95 CO 0.01 0.45 -0.18 -0.76 0.00 0.00 0.00 174.94 174.46 3ghp s LEU 96 N -0.38 2.08 -0.15 2.97 1.43 0.18 -1.84 118.68 122.98 3ghp s LEU 96 Ca 0.06 -0.38 -0.01 0.00 -1.03 0.00 0.00 54.13 52.77 3ghp s LEU 96 Cb -0.09 -0.87 0.04 0.00 0.03 0.00 0.00 46.19 45.30 3ghp s LEU 96 CO -0.00 0.18 -0.05 0.21 0.23 0.00 0.00 176.35 176.91 3ghp s ASN 97 N -0.69 2.58 0.12 2.29 3.84 -1.20 -0.51 114.94 121.37 3ghp s ASN 97 Ca 0.06 -0.54 0.10 0.00 0.21 0.00 0.00 52.86 52.69 3ghp s ASN 97 Cb -0.07 -0.85 -0.04 0.00 -0.55 0.00 0.00 41.25 39.74 3ghp s ASN 97 CO 0.00 -0.17 -0.23 -0.76 -2.79 0.00 0.00 177.10 173.15 3ghp s LEU 98 N 1.69 2.48 -0.12 3.21 1.43 0.29 -0.90 118.68 126.76 3ghp s LEU 98 Ca 0.02 -0.66 -0.09 0.00 -1.03 0.00 0.00 54.13 52.37 3ghp s LEU 98 Cb -0.14 -1.36 0.04 0.00 0.03 0.00 0.00 46.19 44.75 3ghp s LEU 98 CO -0.08 0.18 0.31 -0.44 0.23 0.00 0.00 176.35 176.55 3ghp s SER 99 N -2.07 -0.34 -0.22 2.29 0.01 -0.72 -0.39 113.70 112.26 3ghp s SER 99 Ca 0.16 0.64 -0.09 0.00 1.31 0.00 0.00 55.95 57.97 3ghp s SER 99 Cb -0.10 0.60 0.09 0.00 0.21 0.00 0.00 66.02 66.82 3ghp s SER 99 CO 0.08 -0.13 0.49 -0.60 0.41 0.00 0.00 173.24 173.49 3ghp s ARG 100 N 0.61 0.43 0.03 12.44 3.52 -0.82 -1.40 118.95 133.75 3ghp s ARG 100 Ca -0.04 1.10 0.01 0.00 -0.13 0.00 0.00 55.73 56.67 3ghp s ARG 100 Cb -0.05 0.36 -0.02 0.00 -1.56 0.00 0.00 34.95 33.68 3ghp s ARG 100 CO -0.04 -0.21 -0.05 0.45 -0.81 0.00 0.00 175.30 174.64 3ghp s SER 101 N 2.35 0.46 0.25 -2.12 0.15 -0.53 -1.63 113.70 112.63 3ghp s SER 101 Ca -0.05 -0.47 -0.30 0.00 0.70 0.00 0.00 55.95 55.84 3ghp s SER 101 Cb -0.11 0.06 -0.09 0.00 -1.71 0.00 0.00 66.02 64.17 3ghp s SER 101 CO -0.15 -0.23 0.96 -0.31 1.20 0.00 0.00 173.24 174.72 3ghp s TYR 102 N -1.27 3.92 -0.10 3.44 4.12 -0.01 -0.85 117.35 126.60 3ghp s TYR 102 Ca -0.12 1.88 0.21 0.00 0.02 0.00 0.00 57.07 59.07 3ghp s TYR 102 Cb -0.09 -3.02 -0.24 0.00 -1.52 0.00 0.00 41.96 37.09 3ghp s TYR 102 CO -0.00 0.31 0.57 0.25 0.02 0.00 0.00 175.55 176.70 3ghp n THR 103 N 1.40 0.39 -3.23 -0.71 -2.24 -0.76 -4.80 114.28 104.33 3ghp n THR 103 Ca -0.02 -0.57 -0.45 0.00 -2.27 0.00 0.00 64.05 60.75 3ghp n THR 103 Cb 0.47 -0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 3ghp n THR 103 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ghp n ALA 104 N -2.31 4.21 -0.04 6.98 0.00 -0.19 -4.86 120.51 124.29 3ghp n ALA 104 Ca -0.07 -4.58 -0.21 0.00 0.00 0.00 0.00 53.44 48.58 3ghp n ALA 104 Cb 0.66 -2.59 -0.13 0.00 0.00 0.00 0.00 19.45 17.39 3ghp n ALA 104 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3ghp h LEU 105 N 7.26 0.20 -0.82 0.00 3.38 -1.87 0.18 115.31 123.65 3ghp h LEU 105 Ca 0.21 -0.76 0.15 0.00 0.09 0.00 0.00 57.88 57.58 3ghp h LEU 105 Cb 0.86 -0.06 -0.10 0.00 0.09 0.00 0.00 40.66 41.45 3ghp h LEU 105 CO 1.09 1.51 0.39 -0.08 0.09 0.00 0.00 178.44 181.43 3ghp h GLU 106 N -0.62 0.52 -0.53 1.13 4.81 -1.89 1.52 114.58 119.52 3ghp h GLU 106 Ca -0.29 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 58.86 3ghp h GLU 106 Cb 1.52 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.76 3ghp h GLU 106 CO -0.04 0.35 0.14 0.28 -0.73 0.00 0.00 179.01 179.01 3ghp h VAL 107 N 0.54 1.24 -0.04 0.32 2.07 -1.94 0.19 116.25 118.63 3ghp h VAL 107 Ca 0.45 -0.84 0.04 0.00 0.82 0.00 0.00 66.70 67.17 3ghp h VAL 107 Cb 0.68 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 31.17 3ghp h VAL 107 CO -0.39 0.31 -0.33 0.22 0.02 0.00 0.00 177.57 177.39 3ghp h TYR 108 N 0.75 -0.93 -0.49 1.57 3.20 0.32 -2.76 116.97 118.63 3ghp h TYR 108 Ca 0.17 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 62.00 3ghp h TYR 108 Cb 0.32 0.41 -0.02 0.00 1.54 0.00 0.00 36.73 38.98 3ghp h TYR 108 CO 0.02 -0.42 0.02 0.00 -1.64 0.00 0.00 178.16 176.14 3ghp h ARG 109 N -0.47 0.79 -0.65 1.82 3.08 0.21 -2.26 114.38 116.92 3ghp h ARG 109 Ca 0.07 -0.20 0.12 0.00 0.07 0.00 0.00 59.98 60.03 3ghp h ARG 109 Cb 0.57 -0.10 -0.08 0.00 0.08 0.00 0.00 29.97 30.44 3ghp h ARG 109 CO -0.30 0.78 0.21 0.00 -1.07 0.00 0.00 179.97 179.59 3ghp h ALA 110 N 1.28 0.83 -1.37 0.04 0.00 -0.37 -0.09 119.26 119.57 3ghp h ALA 110 Ca 0.15 0.11 0.40 0.00 0.00 0.00 0.00 54.91 55.57 3ghp h ALA 110 Cb 0.42 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.27 3ghp h ALA 110 CO 0.02 -0.24 0.98 0.66 0.00 0.00 0.00 179.25 180.66 3ghp h SER 111 N 0.36 0.01 -0.85 0.00 4.64 -1.13 -3.44 113.55 113.13 3ghp h SER 111 Ca 0.34 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.41 3ghp h SER 111 Cb 0.49 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.48 3ghp h SER 111 CO -0.37 -0.00 -0.23 -0.62 -0.87 0.00 0.00 176.83 174.73 3ghp n GLU 112 N -4.14 -1.55 -3.90 4.77 1.02 -0.05 -4.92 120.64 111.87 3ghp n GLU 112 Ca 0.30 0.85 -0.28 0.00 -0.02 0.00 0.00 57.16 58.01 3ghp n GLU 112 Cb 1.42 -5.12 -0.12 0.00 -0.02 0.00 0.00 31.44 27.60 3ghp n GLU 112 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 3ghp s SER 113 N -2.23 4.79 0.23 1.62 0.01 -1.26 -5.09 113.70 111.76 3ghp s SER 113 Ca 0.00 -3.76 -0.30 0.00 1.31 0.00 0.00 55.95 53.20 3ghp s SER 113 Cb 0.00 -1.64 -0.10 0.00 0.21 0.00 0.00 66.02 64.49 3ghp s SER 113 CO 0.00 -0.10 1.41 -2.84 0.41 0.00 0.00 173.24 172.11 3ghp s PRO 114 N -1.32 4.30 -0.08 12.44 0.02 -1.26 -4.98 135.00 144.12 3ghp s PRO 114 Ca 0.24 2.23 -0.30 0.00 0.02 0.00 0.00 61.00 63.19 3ghp s PRO 114 Cb -0.07 -3.14 -0.02 0.00 0.02 0.00 0.00 34.50 31.29 3ghp s PRO 114 CO -0.15 -0.38 1.11 -1.21 -0.33 0.00 0.00 177.00 176.05 3ghp s GLU 115 N -0.23 4.38 0.00 5.54 2.02 -1.26 -4.90 118.70 124.25 3ghp s GLU 115 Ca 0.59 1.54 0.00 0.00 0.02 0.00 0.00 54.97 57.12 3ghp s GLU 115 Cb -0.40 -3.56 0.00 0.00 0.10 0.00 0.00 34.13 30.27 3ghp s GLU 115 CO 0.41 -0.40 0.19 0.39 0.02 0.00 0.00 175.26 175.87 3ghp n GLU 116 N 5.17 0.00 -3.35 1.61 1.02 -1.26 -2.89 120.64 120.94 3ghp n GLU 116 Ca 0.10 -0.19 0.02 0.00 -0.02 0.00 0.00 57.16 57.07 3ghp n GLU 116 Cb 0.47 -0.45 -0.03 0.00 -0.02 0.00 0.00 31.44 31.42 3ghp n GLU 116 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3ghp s THR 117 N 0.00 -0.81 -4.20 2.62 2.01 -1.26 0.10 115.64 114.10 3ghp s THR 117 Ca 0.00 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.00 3ghp s THR 117 Cb 0.00 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.51 3ghp s THR 117 CO 0.00 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.54 3ghp n GLY 118 N 5.36 -2.59 3.71 4.40 0.00 -0.40 -4.96 105.19 110.72 3ghp n GLY 118 Ca -0.07 -1.27 -0.42 0.00 0.00 0.00 0.00 46.02 44.26 3ghp n GLY 118 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ghp s THR 119 N -2.06 4.82 -0.22 2.61 2.01 -1.26 -1.03 115.64 120.50 3ghp s THR 119 Ca 0.00 2.04 -0.03 0.00 0.31 0.00 0.00 61.69 64.00 3ghp s THR 119 Cb 0.00 -4.31 -0.13 0.00 0.01 0.00 0.00 72.50 68.07 3ghp s THR 119 CO 0.00 0.19 -0.23 0.18 -0.69 0.00 0.00 174.62 174.06 3ghp n LEU 120 N 3.73 2.47 -3.67 4.42 4.77 -0.32 0.15 117.00 128.56 3ghp n LEU 120 Ca 0.05 0.04 -0.14 0.00 -0.03 0.00 0.00 56.01 55.93 3ghp n LEU 120 Cb 0.51 -0.74 -0.08 0.00 -2.33 0.00 0.00 43.42 40.78 3ghp n LEU 120 CO 0.52 0.72 0.26 0.00 -1.33 0.00 0.00 177.39 177.56 3ghp s ALA 121 N -2.43 -1.39 0.14 -1.18 0.00 -1.23 -1.85 121.76 113.82 3ghp s ALA 121 Ca -0.31 1.43 0.11 0.00 0.00 0.00 0.00 51.96 53.19 3ghp s ALA 121 Cb 0.09 -0.69 -0.04 0.00 0.00 0.00 0.00 23.12 22.49 3ghp s ALA 121 CO 0.47 -0.28 -0.24 0.08 0.00 0.00 0.00 175.76 175.79 3ghp s VAL 122 N -0.09 2.44 -0.08 0.00 1.01 0.29 -0.65 120.40 123.33 3ghp s VAL 122 Ca -0.03 -1.76 -0.08 0.00 0.00 0.00 0.00 61.98 60.11 3ghp s VAL 122 Cb -0.03 -2.12 0.02 0.00 0.00 0.00 0.00 36.38 34.25 3ghp s VAL 122 CO 0.03 0.04 0.22 -0.69 0.00 0.00 0.00 175.10 174.69 3ghp s VAL 123 N -1.24 0.00 -0.04 2.92 1.01 -0.86 -1.50 120.40 120.70 3ghp s VAL 123 Ca 0.17 -0.03 -0.09 0.00 0.00 0.00 0.00 61.98 62.03 3ghp s VAL 123 Cb -0.10 -0.33 -0.05 0.00 0.00 0.00 0.00 36.38 35.91 3ghp s VAL 123 CO 0.08 -0.02 0.25 -0.83 0.00 0.00 0.00 175.10 174.59 3ghp s GLY 124 N 0.03 2.27 -0.22 4.51 0.00 -0.66 0.05 107.32 113.31 3ghp s GLY 124 Ca -0.01 -0.52 0.02 0.00 0.00 0.00 0.00 44.72 44.21 3ghp s GLY 124 CO 0.00 -0.26 -0.15 -1.36 0.00 0.00 0.00 173.10 171.33 3ghp s PHE 125 N -1.15 2.92 -0.00 1.90 0.40 0.38 -0.78 117.98 121.64 3ghp s PHE 125 Ca 0.22 -1.92 -0.29 0.00 -0.60 0.00 0.00 56.93 54.34 3ghp s PHE 125 Cb -0.14 -1.87 -0.03 0.00 0.51 0.00 0.00 43.02 41.49 3ghp s PHE 125 CO 0.11 -0.83 0.93 0.21 0.70 0.00 0.00 175.22 176.34 3ghp s LYS 126 N 1.23 4.55 -0.78 0.44 2.20 0.15 -0.19 119.74 127.34 3ghp s LYS 126 Ca -0.02 1.33 -0.26 0.00 -0.36 0.00 0.00 55.97 56.66 3ghp s LYS 126 Cb -0.16 -3.45 0.03 0.00 -1.51 0.00 0.00 37.83 32.74 3ghp s LYS 126 CO -0.09 -0.00 1.31 0.08 -0.36 0.00 0.00 175.35 176.28 3ghp s VAL 127 N 0.87 3.75 -0.01 4.02 1.01 -0.77 0.58 120.40 129.84 3ghp s VAL 127 Ca 0.49 0.25 -0.25 0.00 0.00 0.00 0.00 61.98 62.47 3ghp s VAL 127 Cb -0.21 -4.94 -0.19 0.00 0.00 0.00 0.00 36.38 31.05 3ghp s VAL 127 CO 0.26 -1.87 1.28 -0.07 0.00 0.00 0.00 175.10 174.71 3ghp h LEU 128 N 13.01 -0.05 -8.64 3.92 3.38 -1.27 -1.04 115.31 124.63 3ghp h LEU 128 Ca -0.21 -0.41 -0.70 0.00 0.09 0.00 0.00 57.88 56.65 3ghp h LEU 128 Cb 1.04 0.01 -0.29 0.00 0.09 0.00 0.00 40.66 41.52 3ghp h LEU 128 CO 1.30 0.39 -0.89 -1.10 0.09 0.00 0.00 178.44 178.24 3ghp s GLN 129 N -4.41 2.02 -1.22 1.13 -0.21 0.16 -4.78 119.66 112.35 3ghp s GLN 129 Ca -0.15 -0.97 -0.11 0.00 0.02 0.00 0.00 55.36 54.15 3ghp s GLN 129 Cb 0.02 -2.01 0.19 0.00 1.00 0.00 0.00 33.01 32.21 3ghp s GLN 129 CO 0.65 0.54 1.58 1.17 -2.12 0.00 0.00 175.29 177.11 3ghp n LYS 130 N 2.27 3.59 -3.75 2.91 4.81 -1.26 -4.81 118.16 121.92 3ghp n LYS 130 Ca -0.16 -3.86 -0.13 0.00 -0.87 0.00 0.00 58.31 53.29 3ghp n LYS 130 Cb 0.51 -2.90 -0.10 0.00 0.02 0.00 0.00 35.03 32.57 3ghp n LYS 130 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 3ghp s LYS 131 N 0.40 0.54 0.26 1.64 -2.85 -1.26 -5.00 119.74 113.46 3ghp s LYS 131 Ca 0.39 0.22 -0.29 0.00 -1.00 0.00 0.00 55.97 55.29 3ghp s LYS 131 Cb 0.02 0.25 -0.14 0.00 -2.06 0.00 0.00 37.83 35.89 3ghp s LYS 131 CO 0.01 -0.11 1.03 0.00 0.10 0.00 0.00 175.35 176.38 3ghp n ALA 132 N 2.19 -0.43 -3.69 0.59 0.00 -1.25 -3.92 120.51 113.99 3ghp n ALA 132 Ca -0.17 0.41 -0.03 0.00 0.00 0.00 0.00 53.44 53.65 3ghp n ALA 132 Cb 0.57 -2.01 -0.01 0.00 0.00 0.00 0.00 19.45 18.00 3ghp n ALA 132 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3ghp s THR 133 N -0.84 0.00 -0.03 0.00 -1.32 2.10 -4.78 115.64 110.78 3ghp s THR 133 Ca 0.62 -0.49 -0.00 0.00 -1.21 0.00 0.00 61.69 60.61 3ghp s THR 133 Cb -0.74 -1.83 0.03 0.00 -1.51 0.00 0.00 72.50 68.45 3ghp s THR 133 CO 0.58 0.00 0.05 0.42 -2.21 0.00 0.00 174.62 173.45 3ghp s THR 134 N -3.12 -0.07 -0.10 5.08 -4.23 -1.26 -1.60 115.64 110.36 3ghp s THR 134 Ca 0.11 0.24 -0.11 0.00 -1.18 0.00 0.00 61.69 60.75 3ghp s THR 134 Cb -0.00 -0.10 -0.05 0.00 1.34 0.00 0.00 72.50 73.69 3ghp s THR 134 CO -0.00 0.10 0.26 -0.69 -0.54 0.00 0.00 174.62 173.74 3ghp s VAL 135 N 1.19 5.30 0.04 2.29 1.01 -1.26 -4.49 120.40 124.49 3ghp s VAL 135 Ca -0.08 0.49 -0.16 0.00 0.00 0.00 0.00 61.98 62.23 3ghp s VAL 135 Cb -0.13 -3.56 0.03 0.00 0.00 0.00 0.00 36.38 32.72 3ghp s VAL 135 CO -0.03 0.54 0.35 0.68 0.00 0.00 0.00 175.10 176.64 3ghp s VAL 136 N -0.61 0.07 0.21 2.92 -7.23 -0.70 -4.43 120.40 110.63 3ghp s VAL 136 Ca 0.18 -0.56 -0.30 0.00 -1.81 0.00 0.00 61.98 59.49 3ghp s VAL 136 Cb -0.14 -0.92 -0.08 0.00 0.56 0.00 0.00 36.38 35.80 3ghp s VAL 136 CO 0.07 -0.31 1.20 -0.36 -0.31 0.00 0.00 175.10 175.38 3ghp s PHE 137 N -2.40 3.42 -0.03 2.82 0.40 -1.26 0.37 117.98 121.30 3ghp s PHE 137 Ca -0.06 1.45 -0.07 0.00 -0.60 0.00 0.00 56.93 57.66 3ghp s PHE 137 Cb -0.01 -3.43 0.01 0.00 0.51 0.00 0.00 43.02 40.09 3ghp s PHE 137 CO -0.02 -1.18 0.16 -2.00 0.70 0.00 0.00 175.22 172.87 3ghp s GLU 138 N -0.51 0.33 0.77 0.44 2.12 0.45 -4.73 118.70 117.57 3ghp s GLU 138 Ca 0.51 -0.04 -0.13 0.00 0.36 0.00 0.00 54.97 55.67 3ghp s GLU 138 Cb -0.33 0.14 0.06 0.00 0.26 0.00 0.00 34.13 34.27 3ghp s GLU 138 CO 0.38 -0.06 1.17 -0.51 -0.54 0.00 0.00 175.26 175.70 3ghp s ASP 139 N -0.56 3.97 -0.06 -1.70 1.01 -1.26 -3.70 116.67 114.37 3ghp s ASP 139 Ca -0.06 2.24 -0.08 0.00 0.71 0.00 0.00 52.55 55.35 3ghp s ASP 139 Cb -0.04 -2.57 0.02 0.00 1.01 0.00 0.00 42.92 41.33 3ghp s ASP 139 CO 0.01 -2.41 0.21 -0.55 0.21 0.00 0.00 175.17 172.64 3ghp s SER 140 N -2.36 -0.18 0.55 0.27 0.15 -1.26 -4.83 113.70 106.04 3ghp s SER 140 Ca 0.71 0.30 0.26 0.00 0.70 0.00 0.00 55.95 57.91 3ghp s SER 140 Cb -0.26 0.39 1.46 0.00 -1.71 0.00 0.00 66.02 65.90 3ghp s SER 140 CO 0.49 -0.15 2.01 -0.33 1.20 0.00 0.00 173.24 176.47 3ghp h GLU 141 N 5.41 0.00 0.00 5.44 5.08 -1.99 0.26 114.58 128.78 3ghp h GLU 141 Ca -0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 3ghp h GLU 141 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 3ghp h GLU 141 CO 0.38 0.00 0.00 1.15 -1.00 0.00 0.00 179.01 179.54 3ghp h THR 142 N 0.00 0.00 -2.10 1.13 2.02 -2.01 -3.34 112.91 108.61 3ghp h THR 142 Ca 0.20 -0.42 -0.57 0.00 0.77 0.00 0.00 66.41 66.40 3ghp h THR 142 Cb 0.86 1.29 -0.41 0.00 -1.74 0.00 0.00 68.15 68.16 3ghp h THR 142 CO -0.00 0.00 -0.89 0.23 0.37 0.00 0.00 175.52 175.23 3ghp n MET 143 N -2.50 1.67 -0.27 6.66 2.81 0.93 -4.97 117.12 121.45 3ghp n MET 143 Ca 0.03 -3.94 0.06 0.00 -1.81 0.00 0.00 57.70 52.04 3ghp n MET 143 Cb 0.32 -1.76 0.29 0.00 -0.71 0.00 0.00 33.22 31.36 3ghp n MET 143 CO 0.00 0.00 0.00 -1.35 1.51 0.00 0.00 175.97 176.13 3ghp h PRO 144 N 3.80 0.88 -0.56 0.03 0.11 -1.69 0.12 132.00 134.69 3ghp h PRO 144 Ca 0.13 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.18 3ghp h PRO 144 Cb 0.77 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.68 3ghp h PRO 144 CO 0.64 0.58 0.00 0.09 -0.21 0.00 0.00 178.00 179.10 3ghp n ASN 145 N -4.50 3.03 -4.81 -2.05 4.13 -1.26 -4.95 115.26 104.84 3ghp n ASN 145 Ca 0.14 -2.03 -0.30 0.00 1.68 0.00 0.00 54.58 54.06 3ghp n ASN 145 Cb 0.25 -0.38 0.09 0.00 -1.54 0.00 0.00 39.78 38.20 3ghp n ASN 145 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 3ghp s GLY 146 N -0.98 1.62 -0.54 7.41 0.00 0.03 -4.96 107.32 109.90 3ghp s GLY 146 Ca 0.37 -0.21 0.04 0.00 0.00 0.00 0.00 44.72 44.91 3ghp s GLY 146 CO 0.24 0.21 0.35 -0.42 0.00 0.00 0.00 173.10 173.48 3ghp s ILE 147 N -3.17 1.91 -0.93 0.90 1.01 0.33 -4.66 121.20 116.59 3ghp s ILE 147 Ca 0.60 -3.31 -0.04 0.00 0.00 0.00 0.00 60.65 57.90 3ghp s ILE 147 Cb -0.14 -2.30 0.00 0.00 0.01 0.00 0.00 42.46 40.04 3ghp s ILE 147 CO 0.54 -0.98 0.80 0.41 0.00 0.00 0.00 174.94 175.70 3ghp n THR 148 N 2.78 -2.81 -1.90 2.92 -1.04 -1.26 -3.26 114.28 109.72 3ghp n THR 148 Ca 0.16 -0.11 -0.06 0.00 -2.04 0.00 0.00 64.05 62.00 3ghp n THR 148 Cb 0.37 -3.59 -0.01 0.00 -1.82 0.00 0.00 70.33 65.28 3ghp n THR 148 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3ghp n GLY 149 N -1.42 0.28 3.09 3.41 0.00 -1.24 -3.45 105.19 105.86 3ghp n GLY 149 Ca -0.06 -0.69 -0.20 0.00 0.00 0.00 0.00 46.02 45.07 3ghp n GLY 149 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ghp s THR 150 N -2.26 0.94 -0.03 2.61 -4.23 -1.20 -0.70 115.64 110.77 3ghp s THR 150 Ca 0.00 -0.68 -0.01 0.00 -1.18 0.00 0.00 61.69 59.82 3ghp s THR 150 Cb 0.00 -0.82 0.03 0.00 1.34 0.00 0.00 72.50 73.05 3ghp s THR 150 CO 0.00 0.14 0.04 -0.89 -0.54 0.00 0.00 174.62 173.38 3ghp s THR 151 N -0.50 -0.07 0.07 3.99 2.01 -0.34 -0.51 115.64 120.28 3ghp s THR 151 Ca 0.03 0.33 0.10 0.00 0.31 0.00 0.00 61.69 62.45 3ghp s THR 151 Cb -0.06 -0.13 -0.03 0.00 0.01 0.00 0.00 72.50 72.29 3ghp s THR 151 CO 0.00 0.14 -0.27 -0.76 -0.69 0.00 0.00 174.62 173.05 3ghp s LEU 152 N 1.67 2.21 0.08 4.42 1.43 -1.26 -0.63 118.68 126.59 3ghp s LEU 152 Ca -0.01 -0.63 0.09 0.00 -1.03 0.00 0.00 54.13 52.55 3ghp s LEU 152 Cb -0.12 -1.27 -0.03 0.00 0.03 0.00 0.00 46.19 44.79 3ghp s LEU 152 CO -0.03 0.24 -0.25 -0.36 0.23 0.00 0.00 176.35 176.18 3ghp s PHE 153 N -0.87 2.17 0.24 0.29 0.40 0.54 -0.84 117.98 119.91 3ghp s PHE 153 Ca 0.12 -0.40 0.06 0.00 -0.60 0.00 0.00 56.93 56.12 3ghp s PHE 153 Cb -0.10 -1.24 -0.03 0.00 0.51 0.00 0.00 43.02 42.15 3ghp s PHE 153 CO 0.03 0.20 0.25 0.54 0.70 0.00 0.00 175.22 176.94 3ghp s ASN 154 N -1.56 5.81 0.00 1.36 2.20 -0.64 0.15 114.94 122.26 3ghp s ASN 154 Ca 0.11 -0.13 0.03 0.00 -0.94 0.00 0.00 52.86 51.93 3ghp s ASN 154 Cb -0.10 -1.57 0.16 0.00 -2.00 0.00 0.00 41.25 37.74 3ghp s ASN 154 CO 0.03 -0.05 0.86 -2.67 -2.94 0.00 0.00 177.10 172.34 3ghp n TRP 155 N -1.23 0.00 1.15 1.54 2.14 0.64 0.25 117.44 121.94 3ghp n TRP 155 Ca -0.08 0.00 0.13 0.00 2.07 0.00 0.00 57.50 59.62 3ghp n TRP 155 Cb 0.57 -0.23 0.41 0.00 -0.81 0.00 0.00 31.31 31.26 3ghp n TRP 155 CO 0.00 0.00 0.00 0.66 2.07 0.00 0.00 177.69 180.42 3ghp n TYR 156 N -1.23 0.00 -1.28 -2.67 4.02 -1.26 -4.74 117.16 110.00 3ghp n TYR 156 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.91 3ghp n TYR 156 Cb 0.02 -0.23 0.00 0.00 -0.02 0.00 0.00 39.34 39.11 3ghp n TYR 156 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3ghp n GLY 157 N 1.41 0.55 3.90 2.72 0.00 0.69 -5.06 105.19 109.41 3ghp n GLY 157 Ca 0.09 -0.84 -0.34 0.00 0.00 0.00 0.00 46.02 44.94 3ghp n GLY 157 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ghp s ASN 158 N -2.84 6.38 0.29 1.61 -0.87 -1.22 -4.89 114.94 113.39 3ghp s ASN 158 Ca 0.00 0.37 -0.27 0.00 -1.57 0.00 0.00 52.86 51.40 3ghp s ASN 158 Cb 0.00 -2.02 -0.09 0.00 -0.02 0.00 0.00 41.25 39.12 3ghp s ASN 158 CO 0.00 0.28 0.92 0.00 -2.57 0.00 0.00 177.10 175.73 3ghp s ARG 159 N -1.83 4.63 -0.78 -0.60 1.70 -1.26 -1.62 118.95 119.19 3ghp s ARG 159 Ca 0.26 1.33 -0.24 0.00 -0.47 0.00 0.00 55.73 56.61 3ghp s ARG 159 Cb -0.13 -2.95 0.06 0.00 -0.57 0.00 0.00 34.95 31.36 3ghp s ARG 159 CO 0.17 0.36 1.20 0.42 -1.08 0.00 0.00 175.30 176.37 3ghp s ILE 160 N -1.47 4.03 -1.42 4.99 1.09 -0.02 -4.88 121.20 123.53 3ghp s ILE 160 Ca 0.47 -0.22 0.28 0.00 -1.10 0.00 0.00 60.65 60.08 3ghp s ILE 160 Cb -0.21 -4.86 0.48 0.00 -1.06 0.00 0.00 42.46 36.81 3ghp s ILE 160 CO 0.26 -1.72 1.96 0.00 -0.10 0.00 0.00 174.94 175.34 3ghp n GLN 161 N 8.52 0.38 -1.97 2.79 6.02 -1.26 -4.70 117.38 127.16 3ghp n GLN 161 Ca 0.08 0.02 0.00 0.00 -0.01 0.00 0.00 57.00 57.09 3ghp n GLN 161 Cb 0.48 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.24 3ghp n GLN 161 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3ghp n SER 162 N -1.29 0.00 -3.78 1.08 2.88 -1.26 -4.99 113.62 106.26 3ghp n SER 162 Ca 0.13 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.42 3ghp n SER 162 Cb 0.23 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.72 3ghp n SER 162 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3ghp n GLY 163 N 0.00 -0.40 3.53 0.46 0.00 -1.26 -5.02 105.19 102.51 3ghp n GLY 163 Ca 0.00 0.16 -0.17 0.00 0.00 0.00 0.00 46.02 46.01 3ghp n GLY 163 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3ghp s TYR 164 N -3.48 -0.67 0.15 1.61 -0.85 -1.26 -4.80 117.35 108.05 3ghp s TYR 164 Ca 0.33 1.27 0.07 0.00 -0.52 0.00 0.00 57.07 58.21 3ghp s TYR 164 Cb -0.16 0.37 -0.04 0.00 0.38 0.00 0.00 41.96 42.51 3ghp s TYR 164 CO 0.81 -0.55 -0.15 0.12 -1.52 0.00 0.00 175.55 174.26 3ghp s PHE 165 N -0.85 1.58 -0.09 -3.49 5.99 -0.99 -4.98 117.98 115.15 3ghp s PHE 165 Ca -0.09 -0.54 -0.14 0.00 0.00 0.00 0.00 56.93 56.16 3ghp s PHE 165 Cb -0.01 -0.80 -0.05 0.00 0.00 0.00 0.00 43.02 42.16 3ghp s PHE 165 CO 0.08 0.24 0.34 0.08 -0.00 0.00 0.00 175.22 175.96 3ghp s VAL 166 N -2.30 5.21 0.05 3.12 1.01 -1.26 -2.62 120.40 123.61 3ghp s VAL 166 Ca 0.14 0.67 0.04 0.00 0.00 0.00 0.00 61.98 62.83 3ghp s VAL 166 Cb -0.04 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.65 3ghp s VAL 166 CO 0.05 0.47 -0.11 0.27 0.00 0.00 0.00 175.10 175.77 3ghp s ILE 167 N -0.21 0.86 -0.16 2.22 -0.00 -0.76 -4.99 121.20 118.15 3ghp s ILE 167 Ca 0.20 -1.10 -0.13 0.00 -0.00 0.00 0.00 60.65 59.62 3ghp s ILE 167 Cb -0.14 -0.84 -0.06 0.00 -0.00 0.00 0.00 42.46 41.41 3ghp s ILE 167 CO 0.08 -0.22 -0.18 0.00 -0.00 0.00 0.00 174.94 174.61 3ghp n GLN 168 N 1.55 0.49 0.00 0.37 1.13 -1.26 -2.93 117.38 116.73 3ghp n GLN 168 Ca -0.21 0.45 0.00 0.00 -1.94 0.00 0.00 57.00 55.30 3ghp n GLN 168 Cb 0.55 -1.63 0.00 0.00 0.11 0.00 0.00 30.24 29.27 3ghp n GLN 168 CO 0.00 0.00 0.00 -2.30 -1.44 0.00 0.00 177.06 173.32 3ghp n PRO 169 N -4.54 1.86 0.00 -1.09 -0.02 -1.25 -4.28 135.00 125.67 3ghp n PRO 169 Ca -0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.34 3ghp n PRO 169 Cb 0.40 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.88 3ghp n PRO 169 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ghp n GLY 170 N 3.11 3.90 3.88 -1.23 0.00 -1.26 -4.89 105.19 108.69 3ghp n GLY 170 Ca 0.00 -0.84 -0.30 0.00 0.00 0.00 0.00 46.02 44.87 3ghp n GLY 170 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ghp s GLU 171 N -4.42 3.78 -0.05 1.61 2.02 -1.26 -4.57 118.70 115.82 3ghp s GLU 171 Ca 0.00 0.44 -0.25 0.00 0.02 0.00 0.00 54.97 55.18 3ghp s GLU 171 Cb 0.00 -2.42 0.05 0.00 0.10 0.00 0.00 34.13 31.86 3ghp s GLU 171 CO 0.00 0.01 0.56 0.96 0.02 0.00 0.00 175.26 176.81 3ghp s ILE 172 N -2.31 0.02 -0.73 -1.63 -4.36 -0.62 -4.48 121.20 107.09 3ghp s ILE 172 Ca 0.51 -0.15 -0.15 0.00 -0.26 0.00 0.00 60.65 60.60 3ghp s ILE 172 Cb -0.10 -0.87 0.18 0.00 1.25 0.00 0.00 42.46 42.91 3ghp s ILE 172 CO 0.30 -0.08 0.70 0.54 0.24 0.00 0.00 174.94 176.64 3ghp s ASN 173 N -1.14 6.53 -0.05 4.36 2.20 -1.25 0.54 114.94 126.13 3ghp s ASN 173 Ca -0.11 -2.28 -0.16 0.00 -0.94 0.00 0.00 52.86 49.37 3ghp s ASN 173 Cb -0.02 -2.23 -0.08 0.00 -2.00 0.00 0.00 41.25 36.93 3ghp s ASN 173 CO 0.08 -0.73 0.47 -1.20 -2.94 0.00 0.00 177.10 172.77 3ghp n SER 174 N 4.71 0.12 -0.65 3.54 7.64 -1.26 -4.04 113.62 123.68 3ghp n SER 174 Ca 0.04 0.45 -0.04 0.00 1.01 0.00 0.00 58.87 60.34 3ghp n SER 174 Cb 0.45 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 3ghp n SER 174 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ghp n ALA 175 N 0.84 -0.15 -1.94 -0.43 0.00 -1.26 -4.97 120.51 112.60 3ghp n ALA 175 Ca 0.09 0.04 -0.26 0.00 0.00 0.00 0.00 53.44 53.31 3ghp n ALA 175 Cb 0.02 -1.01 0.10 0.00 0.00 0.00 0.00 19.45 18.55 3ghp n ALA 175 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3ghp s PRO 176 N -4.62 1.83 0.73 0.00 0.05 -1.26 -4.95 135.00 126.77 3ghp s PRO 176 Ca 0.04 -0.41 0.00 0.00 0.05 0.00 0.00 61.00 60.68 3ghp s PRO 176 Cb -0.02 -2.13 0.00 0.00 0.05 0.00 0.00 34.50 32.40 3ghp s PRO 176 CO 0.05 -1.49 0.00 1.51 0.05 0.00 0.00 177.00 177.12 3ghp n ILE 177 N -3.06 0.00 -2.99 0.56 0.13 -1.26 -5.03 119.36 107.71 3ghp n ILE 177 Ca 0.10 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.75 3ghp n ILE 177 Cb 0.60 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 39.40 3ghp n ILE 177 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3ghp n ALA 178 N -0.08 0.00 -1.34 1.51 0.00 -1.26 -5.10 120.51 114.24 3ghp n ALA 178 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 3ghp n ALA 178 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 3ghp n ALA 178 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3ghp n THR 179 N 0.00 -4.74 -0.55 0.00 -1.04 -1.26 -4.77 114.28 101.93 3ghp n THR 179 Ca 0.00 0.74 -0.05 0.00 -2.04 0.00 0.00 64.05 62.71 3ghp n THR 179 Cb 0.00 -3.76 -0.06 0.00 -1.82 0.00 0.00 70.33 64.68 3ghp n THR 179 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3ghp n ALA 180 N 0.43 4.11 0.22 2.41 0.00 -1.26 -4.18 120.51 122.23 3ghp n ALA 180 Ca -0.01 -0.69 0.05 0.00 0.00 0.00 0.00 53.44 52.79 3ghp n ALA 180 Cb 0.01 -1.83 0.48 0.00 0.00 0.00 0.00 19.45 18.11 3ghp n ALA 180 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3ghp h THR 181 N 1.82 1.13 0.00 0.00 2.02 -2.04 0.22 112.91 116.06 3ghp h THR 181 Ca 0.07 -0.79 -0.01 0.00 0.77 0.00 0.00 66.41 66.45 3ghp h THR 181 Cb 0.91 1.43 -0.00 0.00 -1.74 0.00 0.00 68.15 68.75 3ghp h THR 181 CO 0.16 0.22 -0.04 -0.65 0.37 0.00 0.00 175.52 175.58 3ghp h PRO 182 N 0.00 0.00 -1.41 6.66 0.11 -1.95 -3.46 132.00 131.94 3ghp h PRO 182 Ca -0.00 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.87 3ghp h PRO 182 Cb 0.41 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 31.43 3ghp h PRO 182 CO 0.03 0.04 -0.21 2.41 -0.21 0.00 0.00 178.00 180.06 3ghp n THR 183 N -3.22 0.00 0.00 -1.15 -1.04 0.76 -4.52 114.28 105.12 3ghp n THR 183 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 3ghp n THR 183 Cb 0.25 -1.10 0.00 0.00 -1.82 0.00 0.00 70.33 67.66 3ghp n THR 183 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 3ghp n THR 184 N -1.76 0.00 -2.61 12.58 -2.24 -1.26 -4.77 114.28 114.22 3ghp n THR 184 Ca -0.11 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.34 3ghp n THR 184 Cb 0.38 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.61 3ghp n THR 184 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3ghp n LYS 185 N 0.00 3.84 0.23 -0.78 3.00 -1.26 -4.92 118.16 118.26 3ghp n LYS 185 Ca 0.00 -4.53 0.17 0.00 -0.00 0.00 0.00 58.31 53.94 3ghp n LYS 185 Cb 0.00 -2.31 0.74 0.00 0.00 0.00 0.00 35.03 33.46 3ghp n LYS 185 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 3ghp h PRO 186 N 3.25 0.00 -5.58 1.64 0.13 -1.98 -3.43 132.00 126.04 3ghp h PRO 186 Ca 0.35 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 65.29 3ghp h PRO 186 Cb 0.46 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.48 3ghp h PRO 186 CO 1.02 0.00 -0.26 -2.37 -0.23 0.00 0.00 178.00 176.16 3ghp n THR 187 N -3.20 -0.04 1.89 1.56 5.66 -1.26 -5.34 114.28 113.56 3ghp n THR 187 Ca 0.02 0.00 0.16 0.00 -3.05 0.00 0.00 64.05 61.18 3ghp n THR 187 Cb 0.53 -0.21 0.86 0.00 -1.55 0.00 0.00 70.33 69.96 3ghp n THR 187 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02