#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mgp n LYS 24 N 0.00 -4.96 -3.80 1.61 4.01 -1.26 -5.00 118.16 108.76 3mgp n LYS 24 Ca 0.00 3.64 -0.35 0.00 -0.51 0.00 0.00 58.31 61.09 3mgp n LYS 24 Cb 0.00 -4.82 -0.11 0.00 -0.51 0.00 0.00 35.03 29.59 3mgp n LYS 24 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 3mgp s LYS 25 N -0.62 2.19 0.00 1.97 3.01 -1.26 -4.65 119.74 120.38 3mgp s LYS 25 Ca -0.11 -2.26 0.00 0.00 -1.01 0.00 0.00 55.97 52.59 3mgp s LYS 25 Cb 0.01 -3.57 0.00 0.00 -1.01 0.00 0.00 37.83 33.26 3mgp s LYS 25 CO 0.29 -1.11 0.00 -2.13 0.51 0.00 0.00 175.35 172.91 3mgp n ARG 26 N 3.84 -1.42 -2.34 1.68 0.63 -1.26 -4.09 116.66 113.70 3mgp n ARG 26 Ca 0.04 0.23 -0.01 0.00 -0.92 0.00 0.00 57.85 57.19 3mgp n ARG 26 Cb 0.38 -3.90 -0.01 0.00 0.45 0.00 0.00 32.46 29.38 3mgp n ARG 26 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 3mgp n ARG 27 N 0.19 -2.76 -2.11 -0.14 3.00 -1.26 -4.97 116.66 108.60 3mgp n ARG 27 Ca 0.00 2.30 -0.42 0.00 -0.00 0.00 0.00 57.85 59.73 3mgp n ARG 27 Cb 0.23 -4.06 -0.03 0.00 0.00 0.00 0.00 32.46 28.60 3mgp n ARG 27 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 3mgp s LYS 28 N -1.04 4.25 0.31 -0.14 2.20 -1.26 -4.97 119.74 119.10 3mgp s LYS 28 Ca -0.07 2.11 -0.29 0.00 -0.36 0.00 0.00 55.97 57.36 3mgp s LYS 28 Cb 0.00 -3.55 -0.11 0.00 -1.51 0.00 0.00 37.83 32.67 3mgp s LYS 28 CO 0.56 -0.62 1.55 0.95 -0.36 0.00 0.00 175.35 177.44 3mgp s THR 29 N 2.35 2.12 0.04 3.43 -4.23 -1.26 -4.88 115.64 113.21 3mgp s THR 29 Ca 0.67 0.10 -0.31 0.00 -1.18 0.00 0.00 61.69 60.98 3mgp s THR 29 Cb -0.35 -3.07 -0.06 0.00 1.34 0.00 0.00 72.50 70.37 3mgp s THR 29 CO 0.29 0.02 1.27 0.00 -0.54 0.00 0.00 174.62 175.66 3mgp s ARG 30 N -0.92 4.37 -0.62 3.99 1.04 -1.26 -4.99 118.95 120.57 3mgp s ARG 30 Ca 0.60 1.85 -0.16 0.00 -1.04 0.00 0.00 55.73 56.98 3mgp s ARG 30 Cb -0.47 -3.40 0.15 0.00 -2.04 0.00 0.00 34.95 29.19 3mgp s ARG 30 CO 0.51 -0.37 0.60 0.21 -0.04 0.00 0.00 175.30 176.21 3mgp s LYS 31 N 1.46 3.15 0.15 3.89 2.47 -1.26 -5.05 119.74 124.54 3mgp s LYS 31 Ca 0.60 -1.84 -0.24 0.00 -1.56 0.00 0.00 55.97 52.93 3mgp s LYS 31 Cb -0.30 -4.34 -0.08 0.00 -1.46 0.00 0.00 37.83 31.65 3mgp s LYS 31 CO 0.28 -1.36 0.73 -1.83 0.16 0.00 0.00 175.35 173.33 3mgp s GLU 32 N 1.41 4.49 0.29 4.03 -1.05 -1.26 -5.08 118.70 121.53 3mgp s GLU 32 Ca 0.08 1.07 0.06 0.00 -0.15 0.00 0.00 54.97 56.03 3mgp s GLU 32 Cb -0.24 -3.25 -0.02 0.00 -0.44 0.00 0.00 34.13 30.17 3mgp s GLU 32 CO 0.00 0.59 0.21 -1.13 0.95 0.00 0.00 175.26 175.88 3mgp n SER 33 N 1.61 -0.26 -0.79 0.83 3.41 -1.26 -5.05 113.62 112.10 3mgp n SER 33 Ca -0.07 -2.83 0.09 0.00 -0.26 0.00 0.00 58.87 55.80 3mgp n SER 33 Cb 0.49 1.30 0.26 0.00 -0.26 0.00 0.00 64.21 66.00 3mgp n SER 33 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3mgp n TYR 34 N -0.58 0.46 -0.27 7.33 4.02 -1.26 -4.68 117.16 122.18 3mgp n TYR 34 Ca 0.04 -0.23 -0.01 0.00 -0.01 0.00 0.00 57.90 57.69 3mgp n TYR 34 Cb 0.51 0.00 0.11 0.00 -0.02 0.00 0.00 39.34 39.94 3mgp n TYR 34 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3mgp h ALA 35 N 4.01 1.02 0.00 -0.72 0.00 -1.97 0.60 119.26 122.20 3mgp h ALA 35 Ca 0.00 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 3mgp h ALA 35 Cb 0.62 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3mgp h ALA 35 CO 0.00 0.18 -0.41 -0.84 0.00 0.00 0.00 179.25 178.18 3mgp h ILE 36 N 0.84 1.20 0.14 0.00 3.07 -1.99 0.83 117.51 121.61 3mgp h ILE 36 Ca 0.33 -1.43 -0.28 0.00 1.55 0.00 0.00 64.86 65.02 3mgp h ILE 36 Cb 0.14 1.79 0.02 0.00 -0.27 0.00 0.00 36.82 38.50 3mgp h ILE 36 CO -0.16 0.40 -1.25 1.88 -1.05 0.00 0.00 178.15 177.97 3mgp h TYR 37 N 0.00 0.70 -0.66 0.16 -1.99 -1.71 -1.67 116.97 111.79 3mgp h TYR 37 Ca -0.00 -0.48 -0.06 0.00 2.00 0.00 0.00 58.73 60.18 3mgp h TYR 37 Cb 0.76 -0.04 -0.03 0.00 2.00 0.00 0.00 36.73 39.42 3mgp h TYR 37 CO 0.00 1.35 0.16 0.28 -0.00 0.00 0.00 178.16 179.95 3mgp h VAL 38 N 0.15 1.25 -0.37 -2.88 2.07 -0.66 -2.63 116.25 113.19 3mgp h VAL 38 Ca -0.16 -0.93 -0.03 0.00 0.82 0.00 0.00 66.70 66.39 3mgp h VAL 38 Cb 1.94 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 32.27 3mgp h VAL 38 CO 0.22 0.36 0.09 0.22 0.02 0.00 0.00 177.57 178.48 3mgp h TYR 39 N 1.00 0.61 -0.12 1.57 3.20 -0.85 0.06 116.97 122.43 3mgp h TYR 39 Ca 0.21 -0.07 0.05 0.00 3.14 0.00 0.00 58.73 62.06 3mgp h TYR 39 Cb 0.35 -0.17 -0.06 0.00 1.54 0.00 0.00 36.73 38.39 3mgp h TYR 39 CO 0.03 0.60 -0.30 0.87 -1.64 0.00 0.00 178.16 177.72 3mgp h LYS 40 N 0.44 -0.36 -0.42 1.82 1.57 -1.22 -1.69 116.57 116.72 3mgp h LYS 40 Ca 0.12 0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.89 3mgp h LYS 40 Cb 0.29 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 3mgp h LYS 40 CO 0.00 -0.24 0.15 0.28 -0.57 0.00 0.00 179.45 179.06 3mgp h VAL 41 N -0.38 1.17 -0.37 0.50 2.07 -1.41 -1.39 116.25 116.44 3mgp h VAL 41 Ca 0.10 -0.55 -0.04 0.00 0.82 0.00 0.00 66.70 67.02 3mgp h VAL 41 Cb 0.52 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 3mgp h VAL 41 CO -0.33 0.21 0.07 0.25 0.02 0.00 0.00 177.57 177.78 3mgp h LEU 42 N 0.59 0.51 -0.18 2.57 5.85 -0.43 -2.74 115.31 121.50 3mgp h LEU 42 Ca 0.14 -0.08 -0.23 0.00 0.84 0.00 0.00 57.88 58.56 3mgp h LEU 42 Cb 0.16 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.06 3mgp h LEU 42 CO -0.01 0.54 -0.93 0.11 -0.34 0.00 0.00 178.44 177.80 3mgp h LYS 43 N 0.54 0.43 -0.60 1.25 1.79 -0.37 0.25 116.57 119.87 3mgp h LYS 43 Ca 0.12 -0.45 0.04 0.00 -2.18 0.00 0.00 60.65 58.19 3mgp h LYS 43 Cb 0.25 0.13 -0.05 0.00 -1.58 0.00 0.00 32.23 30.98 3mgp h LYS 43 CO 0.00 1.11 0.33 1.96 -1.08 0.00 0.00 179.45 181.78 3mgp h GLN 44 N 0.24 0.62 0.05 3.15 4.20 -1.22 -2.87 115.11 119.29 3mgp h GLN 44 Ca -0.08 -0.04 -0.32 0.00 0.06 0.00 0.00 58.65 58.27 3mgp h GLN 44 Cb 1.57 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 29.17 3mgp h GLN 44 CO 0.16 0.41 -1.84 1.33 -0.67 0.00 0.00 178.83 178.22 3mgp n VAL 45 N -4.80 1.68 -3.38 -0.54 0.24 -1.05 -4.68 118.33 105.80 3mgp n VAL 45 Ca 0.06 -0.74 -0.25 0.00 -2.04 0.00 0.00 64.34 61.37 3mgp n VAL 45 Cb 0.13 -1.32 -0.10 0.00 -1.47 0.00 0.00 33.84 31.09 3mgp n VAL 45 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 3mgp s HIS 46 N -2.58 0.66 0.50 6.34 3.76 0.07 -5.01 115.29 119.04 3mgp s HIS 46 Ca -0.12 -1.83 0.23 0.00 -0.15 0.00 0.00 55.06 53.19 3mgp s HIS 46 Cb 0.07 -0.79 1.44 0.00 1.11 0.00 0.00 32.58 34.42 3mgp s HIS 46 CO 0.80 -0.87 2.13 -1.35 -0.85 0.00 0.00 174.74 174.61 3mgp h PRO 47 N 6.23 0.00 -0.22 8.40 0.11 -1.67 -2.24 132.00 142.62 3mgp h PRO 47 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 3mgp h PRO 47 Cb 0.96 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 3mgp h PRO 47 CO 0.29 0.07 0.00 -0.25 -0.21 0.00 0.00 178.00 177.90 3mgp n ASP 48 N -4.04 3.13 -4.88 -2.05 8.00 -1.26 -4.95 116.55 110.50 3mgp n ASP 48 Ca -0.03 -1.95 -0.34 0.00 0.71 0.00 0.00 54.79 53.19 3mgp n ASP 48 Cb 0.16 -0.13 -0.05 0.00 -0.02 0.00 0.00 41.12 41.07 3mgp n ASP 48 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3mgp s THR 49 N -1.61 5.23 0.42 -3.53 2.01 -0.84 -5.12 115.64 112.21 3mgp s THR 49 Ca 0.32 0.19 0.04 0.00 0.31 0.00 0.00 61.69 62.55 3mgp s THR 49 Cb 0.20 -3.60 0.04 0.00 0.01 0.00 0.00 72.50 69.15 3mgp s THR 49 CO 0.29 0.29 0.32 0.61 -0.69 0.00 0.00 174.62 175.44 3mgp n GLY 50 N 0.89 2.79 2.88 4.40 0.00 -1.26 -4.90 105.19 109.98 3mgp n GLY 50 Ca -0.09 -2.27 -0.14 0.00 0.00 0.00 0.00 46.02 43.52 3mgp n GLY 50 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3mgp s ILE 51 N -2.08 -0.05 0.82 -0.61 2.07 -1.26 -5.14 121.20 114.95 3mgp s ILE 51 Ca 0.25 0.18 -0.11 0.00 -1.41 0.00 0.00 60.65 59.56 3mgp s ILE 51 Cb -0.02 -0.19 0.09 0.00 0.13 0.00 0.00 42.46 42.47 3mgp s ILE 51 CO 0.16 0.08 1.12 -0.94 -1.91 0.00 0.00 174.94 173.44 3mgp s SER 52 N 1.09 3.94 0.30 4.50 1.04 -1.26 -4.83 113.70 118.48 3mgp s SER 52 Ca -0.09 1.99 0.03 0.00 0.48 0.00 0.00 55.95 58.37 3mgp s SER 52 Cb -0.11 -2.54 0.47 0.00 0.10 0.00 0.00 66.02 63.93 3mgp s SER 52 CO -0.05 -2.42 1.77 0.77 0.98 0.00 0.00 173.24 174.29 3mgp h SER 53 N -1.30 0.47 -0.28 7.02 4.64 -2.01 0.80 113.55 122.89 3mgp h SER 53 Ca -0.44 -0.14 -0.01 0.00 -0.47 0.00 0.00 61.79 60.74 3mgp h SER 53 Cb 1.25 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 63.20 3mgp h SER 53 CO 0.48 0.67 0.14 0.11 -0.87 0.00 0.00 176.83 177.36 3mgp h LYS 54 N 0.43 0.39 -0.78 4.77 1.57 -1.99 0.13 116.57 121.10 3mgp h LYS 54 Ca 0.07 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 3mgp h LYS 54 Cb 0.58 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.78 3mgp h LYS 54 CO 0.04 0.36 0.45 0.00 -0.57 0.00 0.00 179.45 179.73 3mgp h ALA 55 N 1.01 0.99 -0.03 3.86 0.00 -1.86 -1.01 119.26 122.22 3mgp h ALA 55 Ca 0.10 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3mgp h ALA 55 Cb 0.09 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3mgp h ALA 55 CO -0.01 0.48 -0.15 1.98 0.00 0.00 0.00 179.25 181.54 3mgp h MET 56 N 1.07 0.04 0.05 0.00 1.85 -0.63 -0.53 114.93 116.78 3mgp h MET 56 Ca 0.28 -0.01 -0.00 0.00 -0.61 0.00 0.00 59.70 59.36 3mgp h MET 56 Cb -0.01 -0.01 0.00 0.00 0.43 0.00 0.00 31.60 32.02 3mgp h MET 56 CO -0.05 0.20 -0.03 1.03 -0.40 0.00 0.00 176.91 177.66 3mgp h SER 57 N 0.04 -0.06 -1.00 1.39 0.87 0.20 0.20 113.55 115.19 3mgp h SER 57 Ca 0.01 -0.36 0.26 0.00 -1.23 0.00 0.00 61.79 60.46 3mgp h SER 57 Cb 0.30 0.02 -0.13 0.00 -0.44 0.00 0.00 62.40 62.14 3mgp h SER 57 CO 0.02 0.34 0.58 0.40 -0.53 0.00 0.00 176.83 177.64 3mgp h ILE 58 N -0.47 0.49 -0.11 2.23 1.08 -1.00 -0.37 117.51 119.35 3mgp h ILE 58 Ca -0.01 -0.18 -0.18 0.00 -0.39 0.00 0.00 64.86 64.10 3mgp h ILE 58 Cb 0.42 -0.08 0.01 0.00 -3.07 0.00 0.00 36.82 34.09 3mgp h ILE 58 CO 0.01 0.10 -0.62 0.24 -0.69 0.00 0.00 178.15 177.19 3mgp h MET 59 N 0.53 0.62 -0.46 2.37 2.86 -0.78 -0.67 114.93 119.40 3mgp h MET 59 Ca 0.66 -0.52 -0.04 0.00 -2.06 0.00 0.00 59.70 57.75 3mgp h MET 59 Cb 1.30 0.11 -0.02 0.00 0.06 0.00 0.00 31.60 33.05 3mgp h MET 59 CO -0.50 1.14 0.14 -0.97 1.06 0.00 0.00 176.91 177.77 3mgp h ASN 60 N 0.27 0.62 -0.34 1.22 -1.24 -0.34 -2.52 115.58 113.25 3mgp h ASN 60 Ca -0.05 -0.09 -0.04 0.00 0.71 0.00 0.00 56.30 56.84 3mgp h ASN 60 Cb 1.26 -0.16 -0.01 0.00 0.73 0.00 0.00 38.32 40.14 3mgp h ASN 60 CO 0.13 0.60 0.07 0.28 -1.29 0.00 0.00 177.43 177.22 3mgp h SER 61 N 0.66 0.52 -0.68 1.15 0.02 -0.89 -2.56 113.55 111.77 3mgp h SER 61 Ca 0.15 -0.24 0.06 0.00 -0.84 0.00 0.00 61.79 60.93 3mgp h SER 61 Cb 0.21 -0.14 -0.06 0.00 0.14 0.00 0.00 62.40 62.55 3mgp h SER 61 CO -0.01 0.63 0.38 0.15 -1.14 0.00 0.00 176.83 176.84 3mgp h PHE 62 N 0.39 0.69 -0.09 3.45 3.57 -0.98 0.50 116.94 124.46 3mgp h PHE 62 Ca 0.10 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.53 3mgp h PHE 62 Cb 0.32 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.85 3mgp h PHE 62 CO 0.02 0.32 -0.35 0.28 -2.23 0.00 0.00 178.31 176.35 3mgp h VAL 63 N 0.69 1.40 -0.12 1.41 2.07 -1.41 -1.03 116.25 119.27 3mgp h VAL 63 Ca 0.31 -1.70 0.03 0.00 0.82 0.00 0.00 66.70 66.16 3mgp h VAL 63 Cb 0.20 2.22 -0.04 0.00 -1.52 0.00 0.00 31.29 32.16 3mgp h VAL 63 CO -0.19 0.50 -0.10 0.78 0.02 0.00 0.00 177.57 178.58 3mgp h ASN 64 N -0.05 -0.30 0.00 0.57 2.35 -1.32 0.15 115.58 116.98 3mgp h ASN 64 Ca -0.02 0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 3mgp h ASN 64 Cb 0.98 0.15 0.00 0.00 0.05 0.00 0.00 38.32 39.51 3mgp h ASN 64 CO 0.07 -0.13 0.00 -0.67 -1.65 0.00 0.00 177.43 175.05 3mgp n ASP 65 N -5.24 0.00 -0.27 5.81 2.03 0.17 -1.72 116.55 117.34 3mgp n ASP 65 Ca -0.04 0.95 0.05 0.00 0.52 0.00 0.00 54.79 56.28 3mgp n ASP 65 Cb 0.16 -0.45 0.19 0.00 -0.72 0.00 0.00 41.12 40.29 3mgp n ASP 65 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 3mgp h VAL 66 N 0.00 0.72 -0.63 5.18 2.07 -1.15 0.52 116.25 122.95 3mgp h VAL 66 Ca 0.00 -0.19 0.11 0.00 0.82 0.00 0.00 66.70 67.45 3mgp h VAL 66 Cb 0.00 0.13 -0.12 0.00 -1.52 0.00 0.00 31.29 29.78 3mgp h VAL 66 CO 0.00 0.10 -0.31 0.15 0.02 0.00 0.00 177.57 177.53 3mgp h PHE 67 N 0.54 -0.84 -0.36 1.57 3.57 -0.59 -1.97 116.94 118.86 3mgp h PHE 67 Ca 0.42 0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.97 3mgp h PHE 67 Cb 0.58 0.46 -0.02 0.00 2.79 0.00 0.00 35.95 39.77 3mgp h PHE 67 CO -0.13 -0.37 0.13 0.93 -2.23 0.00 0.00 178.31 176.64 3mgp h GLU 68 N -0.13 0.56 -0.84 1.11 5.08 -0.05 -1.16 114.58 119.14 3mgp h GLU 68 Ca 0.26 -0.11 0.05 0.00 -1.00 0.00 0.00 59.36 58.55 3mgp h GLU 68 Cb 0.55 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.66 3mgp h GLU 68 CO -0.70 0.56 0.55 0.00 -1.00 0.00 0.00 179.01 178.42 3mgp h ARG 69 N 0.44 0.97 0.02 2.33 3.08 -1.09 -1.44 114.38 118.69 3mgp h ARG 69 Ca 0.12 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.07 3mgp h ARG 69 Cb 0.23 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.07 3mgp h ARG 69 CO -0.01 0.64 -0.17 0.82 -1.07 0.00 0.00 179.97 180.18 3mgp h ILE 70 N 1.00 1.68 -0.83 2.04 2.04 -1.26 -2.51 117.51 119.68 3mgp h ILE 70 Ca 0.35 -2.21 0.20 0.00 1.00 0.00 0.00 64.86 64.20 3mgp h ILE 70 Cb 0.12 3.16 -0.05 0.00 -0.74 0.00 0.00 36.82 39.30 3mgp h ILE 70 CO -0.11 0.59 0.57 0.00 0.00 0.00 0.00 178.15 179.19 3mgp h ALA 71 N 0.10 2.41 0.20 1.87 0.00 -1.18 0.57 119.26 123.24 3mgp h ALA 71 Ca -0.03 -0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.56 3mgp h ALA 71 Cb 1.06 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.88 3mgp h ALA 71 CO 0.03 -0.65 -1.44 0.78 0.00 0.00 0.00 179.25 177.96 3mgp h GLY 72 N 0.24 0.50 0.99 0.00 0.00 -1.32 0.42 103.07 103.90 3mgp h GLY 72 Ca 0.41 -1.27 -0.01 0.00 0.00 0.00 0.00 47.33 46.47 3mgp h GLY 72 CO -0.10 1.11 0.33 0.83 0.00 0.00 0.00 176.54 178.71 3mgp h GLU 73 N 0.12 0.81 0.36 4.80 4.39 -1.12 -1.05 114.58 122.88 3mgp h GLU 73 Ca -0.23 -0.09 -0.00 0.00 0.34 0.00 0.00 59.36 59.38 3mgp h GLU 73 Cb 2.10 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 30.56 3mgp h GLU 73 CO 0.24 0.60 -0.39 0.00 -1.16 0.00 0.00 179.01 178.30 3mgp h ALA 74 N 1.16 -0.83 -0.95 3.43 0.00 -0.91 0.14 119.26 121.30 3mgp h ALA 74 Ca 0.21 -0.13 0.09 0.00 0.00 0.00 0.00 54.91 55.08 3mgp h ALA 74 Cb 0.02 0.57 -0.12 0.00 0.00 0.00 0.00 17.79 18.26 3mgp h ALA 74 CO -0.04 -1.01 -0.56 1.03 0.00 0.00 0.00 179.25 178.67 3mgp h SER 75 N -0.78 -2.06 0.29 0.00 0.87 -0.85 -1.18 113.55 109.84 3mgp h SER 75 Ca -0.02 0.32 -0.00 0.00 -1.23 0.00 0.00 61.79 60.86 3mgp h SER 75 Cb 0.71 0.92 -0.03 0.00 -0.44 0.00 0.00 62.40 63.55 3mgp h SER 75 CO -0.09 -0.25 -0.50 0.03 -0.53 0.00 0.00 176.83 175.49 3mgp h ARG 76 N -0.04 -0.81 -0.99 2.24 3.08 -1.08 -2.62 114.38 114.16 3mgp h ARG 76 Ca 0.17 0.06 0.14 0.00 0.07 0.00 0.00 59.98 60.42 3mgp h ARG 76 Cb 0.45 0.18 -0.15 0.00 0.08 0.00 0.00 29.97 30.53 3mgp h ARG 76 CO -0.91 -0.54 -0.44 -0.07 -1.07 0.00 0.00 179.97 176.94 3mgp h LEU 77 N -0.84 -1.61 -0.47 3.04 3.38 -0.63 0.75 115.31 118.92 3mgp h LEU 77 Ca -0.03 0.32 0.09 0.00 0.09 0.00 0.00 57.88 58.35 3mgp h LEU 77 Cb 0.78 0.81 -0.09 0.00 0.09 0.00 0.00 40.66 42.25 3mgp h LEU 77 CO -0.18 -0.28 -0.08 0.00 0.09 0.00 0.00 178.44 178.00 3mgp h ALA 78 N 1.16 0.36 0.22 1.53 0.00 -1.17 -2.40 119.26 118.97 3mgp h ALA 78 Ca 0.30 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.37 3mgp h ALA 78 Cb 0.55 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3mgp h ALA 78 CO -0.98 -0.43 -0.11 1.25 0.00 0.00 0.00 179.25 178.99 3mgp h HIS 79 N 0.04 -0.28 -0.73 0.00 -0.00 -0.73 0.02 115.15 113.47 3mgp h HIS 79 Ca 0.23 -0.01 0.21 0.00 -0.00 0.00 0.00 60.37 60.81 3mgp h HIS 79 Cb 0.35 0.09 -0.03 0.00 -0.00 0.00 0.00 27.41 27.82 3mgp h HIS 79 CO -0.37 -0.15 0.64 1.88 -0.00 0.00 0.00 177.93 179.93 3mgp h TYR 80 N -0.33 0.00 -0.32 5.26 0.99 -0.55 -1.42 116.97 120.60 3mgp h TYR 80 Ca -0.03 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.70 3mgp h TYR 80 Cb 0.25 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.98 3mgp h TYR 80 CO -0.05 0.00 0.00 0.09 -0.00 0.00 0.00 178.16 178.20 3mgp n ASN 81 N -3.91 3.62 -3.89 3.88 3.02 -0.85 -4.98 115.26 112.14 3mgp n ASN 81 Ca 0.15 -2.59 -0.28 0.00 -0.03 0.00 0.00 54.58 51.82 3mgp n ASN 81 Cb 0.91 -0.43 0.02 0.00 -0.61 0.00 0.00 39.78 39.67 3mgp n ASN 81 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3mgp n LYS 82 N 0.01 -5.18 -4.60 3.52 4.01 -0.54 -4.99 118.16 110.40 3mgp n LYS 82 Ca 0.18 0.58 -0.33 0.00 -0.51 0.00 0.00 58.31 58.23 3mgp n LYS 82 Cb 0.72 -5.36 -0.13 0.00 -0.51 0.00 0.00 35.03 29.76 3mgp n LYS 82 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 3mgp s ARG 83 N -6.50 3.35 0.00 1.97 1.81 -0.06 -5.00 118.95 114.51 3mgp s ARG 83 Ca 0.50 -0.59 0.25 0.00 -1.72 0.00 0.00 55.73 54.17 3mgp s ARG 83 Cb -0.25 -2.73 0.85 0.00 -0.45 0.00 0.00 34.95 32.37 3mgp s ARG 83 CO 0.83 0.33 1.62 -1.13 -0.68 0.00 0.00 175.30 176.28 3mgp n SER 84 N 3.22 1.80 -4.33 0.23 3.41 -1.26 -4.20 113.62 112.49 3mgp n SER 84 Ca -0.18 -1.63 -0.32 0.00 -0.26 0.00 0.00 58.87 56.48 3mgp n SER 84 Cb 0.53 -0.04 -0.15 0.00 -0.26 0.00 0.00 64.21 64.28 3mgp n SER 84 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3mgp s THR 85 N -1.92 2.46 -0.36 6.66 2.01 -1.26 -5.09 115.64 118.14 3mgp s THR 85 Ca 0.35 -0.91 -0.18 0.00 0.31 0.00 0.00 61.69 61.27 3mgp s THR 85 Cb 0.20 -1.94 -0.00 0.00 0.01 0.00 0.00 72.50 70.77 3mgp s THR 85 CO 0.31 0.56 0.48 -0.63 -0.69 0.00 0.00 174.62 174.66 3mgp s ILE 86 N -0.12 5.04 0.49 1.82 1.01 -1.26 -4.88 121.20 123.29 3mgp s ILE 86 Ca -0.04 0.18 0.07 0.00 0.00 0.00 0.00 60.65 60.87 3mgp s ILE 86 Cb -0.14 -3.96 0.01 0.00 0.01 0.00 0.00 42.46 38.38 3mgp s ILE 86 CO 0.04 -0.24 0.39 0.42 0.00 0.00 0.00 174.94 175.55 3mgp s THR 87 N 2.31 2.09 0.64 2.92 -4.23 -1.26 -4.97 115.64 113.15 3mgp s THR 87 Ca 0.17 -1.44 0.37 0.00 -1.18 0.00 0.00 61.69 59.61 3mgp s THR 87 Cb -0.16 -2.53 0.39 0.00 1.34 0.00 0.00 72.50 71.54 3mgp s THR 87 CO 0.13 0.00 2.23 0.77 -0.54 0.00 0.00 174.62 177.22 3mgp h SER 88 N 0.89 0.00 0.67 3.99 4.64 -1.99 0.90 113.55 122.65 3mgp h SER 88 Ca -0.39 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 60.77 3mgp h SER 88 Cb 1.28 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.35 3mgp h SER 88 CO 0.58 0.00 -0.76 -0.09 -0.87 0.00 0.00 176.83 175.68 3mgp h ARG 89 N 0.00 0.07 -0.08 4.77 2.43 -1.99 -1.08 114.38 118.50 3mgp h ARG 89 Ca 0.02 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.08 3mgp h ARG 89 Cb 0.20 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.76 3mgp h ARG 89 CO -0.00 0.80 -0.11 0.93 -1.51 0.00 0.00 179.97 180.08 3mgp h GLU 90 N 0.04 0.20 -0.92 0.20 3.07 -1.22 -2.96 114.58 112.99 3mgp h GLU 90 Ca -0.02 -0.12 0.12 0.00 -0.50 0.00 0.00 59.36 58.84 3mgp h GLU 90 Cb 1.34 0.01 -0.07 0.00 -0.84 0.00 0.00 28.75 29.19 3mgp h GLU 90 CO 0.11 0.67 0.59 0.82 -1.40 0.00 0.00 179.01 179.80 3mgp h ILE 91 N -0.25 0.92 0.06 3.13 1.08 -1.28 -2.02 117.51 119.15 3mgp h ILE 91 Ca 0.01 -0.30 -0.00 0.00 -0.39 0.00 0.00 64.86 64.18 3mgp h ILE 91 Cb 0.65 -0.02 0.00 0.00 -3.07 0.00 0.00 36.82 34.38 3mgp h ILE 91 CO 0.02 0.16 -0.03 -0.61 -0.69 0.00 0.00 178.15 177.00 3mgp h GLN 92 N 0.87 -0.08 -1.00 2.37 4.15 -1.22 -1.29 115.11 118.90 3mgp h GLN 92 Ca 0.45 0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.89 3mgp h GLN 92 Cb 0.51 0.02 -0.05 0.00 0.21 0.00 0.00 27.48 28.17 3mgp h GLN 92 CO -0.21 0.25 0.66 1.15 -1.93 0.00 0.00 178.83 178.75 3mgp h THR 93 N -0.42 1.23 -0.57 2.39 2.02 -1.39 -2.12 112.91 114.05 3mgp h THR 93 Ca -0.01 -0.46 0.02 0.00 0.77 0.00 0.00 66.41 66.73 3mgp h THR 93 Cb 0.37 -0.21 -0.03 0.00 -1.74 0.00 0.00 68.15 66.54 3mgp h THR 93 CO 0.01 0.24 0.38 0.00 0.37 0.00 0.00 175.52 176.53 3mgp h ALA 94 N 1.39 1.65 -0.10 6.16 0.00 -1.16 0.95 119.26 128.16 3mgp h ALA 94 Ca 0.38 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 55.08 3mgp h ALA 94 Cb -0.11 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 3mgp h ALA 94 CO -0.09 0.30 -0.68 0.28 0.00 0.00 0.00 179.25 179.06 3mgp h VAL 95 N 0.71 1.37 -0.01 0.00 2.07 -0.73 0.34 116.25 120.00 3mgp h VAL 95 Ca 0.22 -2.05 -0.22 0.00 0.82 0.00 0.00 66.70 65.48 3mgp h VAL 95 Cb 0.01 2.03 -0.00 0.00 -1.52 0.00 0.00 31.29 31.80 3mgp h VAL 95 CO -0.05 0.62 -0.91 0.03 0.02 0.00 0.00 177.57 177.28 3mgp h ARG 96 N 0.30 0.38 -0.18 1.57 3.08 -0.70 -0.54 114.38 118.29 3mgp h ARG 96 Ca -0.02 -0.39 -0.04 0.00 0.07 0.00 0.00 59.98 59.60 3mgp h ARG 96 Cb 1.24 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 31.39 3mgp h ARG 96 CO 0.12 1.07 -0.03 -0.07 -1.07 0.00 0.00 179.97 179.98 3mgp h LEU 97 N 0.22 0.34 -0.03 3.04 3.38 -0.82 -3.38 115.31 118.05 3mgp h LEU 97 Ca -0.07 -0.35 -0.06 0.00 0.09 0.00 0.00 57.88 57.49 3mgp h LEU 97 Cb 1.53 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.20 3mgp h LEU 97 CO 0.15 0.61 -0.23 0.25 0.09 0.00 0.00 178.44 179.32 3mgp h LEU 98 N 0.06 0.25-10.05 1.67 5.85 -0.89 -3.47 115.31 108.74 3mgp h LEU 98 Ca 0.05 -0.69 -0.52 0.00 0.84 0.00 0.00 57.88 57.56 3mgp h LEU 98 Cb 0.46 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 3mgp h LEU 98 CO 0.02 0.90 -0.05 -0.76 -0.34 0.00 0.00 178.44 178.21 3mgp s LEU 99 N -8.69 4.07 0.30 2.25 1.43 -0.21 -5.08 118.68 112.74 3mgp s LEU 99 Ca -0.15 0.95 -0.08 0.00 -1.03 0.00 0.00 54.13 53.82 3mgp s LEU 99 Cb 0.02 -3.76 -0.06 0.00 0.03 0.00 0.00 46.19 42.42 3mgp s LEU 99 CO 0.74 -0.18 0.61 -2.16 0.23 0.00 0.00 176.35 175.59 3mgp s PRO 100 N -3.21 3.74 0.00 1.29 0.04 -1.26 -4.58 135.00 131.03 3mgp s PRO 100 Ca 0.48 0.23 0.00 0.00 0.04 0.00 0.00 61.00 61.76 3mgp s PRO 100 Cb -0.11 -2.58 0.00 0.00 0.04 0.00 0.00 34.50 31.86 3mgp s PRO 100 CO 0.25 0.19 0.00 0.41 0.04 0.00 0.00 177.00 177.89 3mgp n GLY 101 N -0.72 1.36 0.23 0.56 0.00 -1.26 -0.71 105.19 104.65 3mgp n GLY 101 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.44 3mgp n GLY 101 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3mgp h GLU 102 N 0.00 0.30 -0.47 1.61 4.39 -1.99 -2.80 114.58 115.61 3mgp h GLU 102 Ca 0.00 -0.09 -0.05 0.00 0.34 0.00 0.00 59.36 59.56 3mgp h GLU 102 Cb 0.00 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.60 3mgp h GLU 102 CO 0.00 0.50 0.10 -0.07 -1.16 0.00 0.00 179.01 178.38 3mgp h LEU 103 N 0.27 0.73 0.32 1.33 3.38 -1.29 -1.63 115.31 118.41 3mgp h LEU 103 Ca 0.05 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 3mgp h LEU 103 Cb 0.53 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3mgp h LEU 103 CO 0.04 0.78 -0.15 0.00 0.09 0.00 0.00 178.44 179.20 3mgp h ALA 104 N 0.97 -0.43 -0.22 1.53 0.00 -1.39 -0.85 119.26 118.88 3mgp h ALA 104 Ca 0.15 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 54.99 3mgp h ALA 104 Cb 0.35 0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.24 3mgp h ALA 104 CO 0.00 -0.69 -0.24 0.87 0.00 0.00 0.00 179.25 179.19 3mgp h LYS 105 N -0.52 -0.25 -0.48 0.00 1.57 -1.46 0.36 116.57 115.78 3mgp h LYS 105 Ca -0.04 0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.70 3mgp h LYS 105 Cb 0.39 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.73 3mgp h LYS 105 CO 0.07 -0.17 0.07 0.45 -0.57 0.00 0.00 179.45 179.30 3mgp h HIS 106 N -0.26 0.79 -0.25 -1.35 3.86 -1.33 -2.63 115.15 113.98 3mgp h HIS 106 Ca 0.13 -0.09 -0.19 0.00 -1.16 0.00 0.00 60.37 59.06 3mgp h HIS 106 Cb 0.46 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 28.70 3mgp h HIS 106 CO -0.39 0.70 -0.58 0.00 0.86 0.00 0.00 177.93 178.52 3mgp h ALA 107 N 1.35 0.48 -0.34 2.45 0.00 -0.67 -2.24 119.26 120.29 3mgp h ALA 107 Ca 0.15 -0.53 0.03 0.00 0.00 0.00 0.00 54.91 54.57 3mgp h ALA 107 Cb 0.35 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 3mgp h ALA 107 CO 0.01 0.68 0.13 0.28 0.00 0.00 0.00 179.25 180.36 3mgp h VAL 108 N 0.62 0.93 -0.45 0.00 2.07 -0.88 -1.73 116.25 116.81 3mgp h VAL 108 Ca 0.00 -0.10 -0.12 0.00 0.82 0.00 0.00 66.70 67.31 3mgp h VAL 108 Cb 1.19 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 3mgp h VAL 108 CO 0.13 0.05 -0.19 0.77 0.02 0.00 0.00 177.57 178.35 3mgp h SER 109 N 0.29 0.89 0.13 0.57 4.64 -1.44 0.79 113.55 119.42 3mgp h SER 109 Ca 0.15 -0.32 -0.05 0.00 -0.47 0.00 0.00 61.79 61.10 3mgp h SER 109 Cb 0.10 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 61.94 3mgp h SER 109 CO -0.14 1.06 -0.19 -0.33 -0.87 0.00 0.00 176.83 176.37 3mgp h GLU 110 N 0.77 0.12 0.17 4.77 4.39 -1.24 0.23 114.58 123.79 3mgp h GLU 110 Ca 0.11 -0.03 -0.31 0.00 0.34 0.00 0.00 59.36 59.47 3mgp h GLU 110 Cb 0.73 -0.02 0.01 0.00 -0.10 0.00 0.00 28.75 29.37 3mgp h GLU 110 CO 0.06 0.32 -1.53 0.78 -1.16 0.00 0.00 179.01 177.48 3mgp h GLY 111 N 0.74 0.40 0.45 -3.84 0.00 -1.10 -2.12 103.07 97.62 3mgp h GLY 111 Ca 0.02 -1.03 0.06 0.00 0.00 0.00 0.00 47.33 46.38 3mgp h GLY 111 CO 0.03 0.91 -0.02 -0.84 0.00 0.00 0.00 176.54 176.62 3mgp h THR 112 N -0.07 0.74 -0.46 4.70 2.02 -0.81 -2.04 112.91 116.99 3mgp h THR 112 Ca -0.30 -0.03 0.09 0.00 0.77 0.00 0.00 66.41 66.94 3mgp h THR 112 Cb 1.95 0.66 -0.10 0.00 -1.74 0.00 0.00 68.15 68.93 3mgp h THR 112 CO 0.15 0.01 -0.29 0.50 0.37 0.00 0.00 175.52 176.26 3mgp h LYS 113 N 0.07 -0.18 -0.01 6.66 3.64 -0.57 -0.65 116.57 125.54 3mgp h LYS 113 Ca 0.16 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.48 3mgp h LYS 113 Cb 0.22 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 3mgp h LYS 113 CO -0.28 -0.12 -0.31 0.00 -2.27 0.00 0.00 179.45 176.47 3mgp h ALA 114 N 0.97 1.47 0.22 5.00 0.00 -1.12 -1.11 119.26 124.68 3mgp h ALA 114 Ca 0.20 -0.29 -0.31 0.00 0.00 0.00 0.00 54.91 54.51 3mgp h ALA 114 Cb 0.52 -0.05 0.03 0.00 0.00 0.00 0.00 17.79 18.28 3mgp h ALA 114 CO -0.56 0.40 -1.37 0.28 0.00 0.00 0.00 179.25 177.99 3mgp h VAL 115 N 0.01 1.29 0.18 0.00 2.07 -0.79 -1.22 116.25 117.79 3mgp h VAL 115 Ca -0.00 -2.64 0.00 0.00 0.82 0.00 0.00 66.70 64.88 3mgp h VAL 115 Cb 0.56 3.04 -0.03 0.00 -1.52 0.00 0.00 31.29 33.35 3mgp h VAL 115 CO 0.04 0.79 -0.37 0.74 0.02 0.00 0.00 177.57 178.79 3mgp h THR 116 N 0.02 0.00 -0.98 2.57 2.02 -0.99 -1.42 112.91 114.14 3mgp h THR 116 Ca -0.25 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.12 3mgp h THR 116 Cb 2.05 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 68.37 3mgp h THR 116 CO 0.24 0.00 0.61 0.50 0.37 0.00 0.00 175.52 177.24 3mgp h LYS 117 N -0.60 0.66 -0.30 6.66 3.64 -1.30 -2.11 116.57 123.21 3mgp h LYS 117 Ca -0.02 -0.04 -0.14 0.00 -1.27 0.00 0.00 60.65 59.18 3mgp h LYS 117 Cb 0.57 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.24 3mgp h LYS 117 CO -0.15 0.43 -0.35 -0.92 -2.27 0.00 0.00 179.45 176.20 3mgp h TYR 118 N 0.68 0.93 -0.08 1.91 3.20 -1.02 -3.33 116.97 119.27 3mgp h TYR 118 Ca 0.54 -0.29 -0.24 0.00 3.14 0.00 0.00 58.73 61.88 3mgp h TYR 118 Cb 0.96 -0.19 0.02 0.00 1.54 0.00 0.00 36.73 39.05 3mgp h TYR 118 CO -0.00 1.07 -0.91 1.79 -1.64 0.00 0.00 178.16 178.47 3mgp h THR 119 N 0.53 1.28 -1.24 1.81 1.35 -0.82 -3.30 112.91 112.51 3mgp h THR 119 Ca 0.04 -2.10 -0.68 0.00 -0.55 0.00 0.00 66.41 63.12 3mgp h THR 119 Cb 0.93 2.17 -0.11 0.00 -1.73 0.00 0.00 68.15 69.41 3mgp h THR 119 CO 0.08 0.66 1.87 -0.94 -0.25 0.00 0.00 175.52 176.94 3mgp s SER 120 N -7.20 6.83 -0.34 5.36 1.04 -0.83 -4.45 113.70 114.11 3mgp s SER 120 Ca -0.10 -2.41 0.04 0.00 0.48 0.00 0.00 55.95 53.96 3mgp s SER 120 Cb 0.08 -2.53 0.32 0.00 0.10 0.00 0.00 66.02 63.99 3mgp s SER 120 CO 0.91 -1.12 1.37 0.00 0.98 0.00 0.00 173.24 175.38 3mgp n ALA 121 N 7.79 -2.83 0.00 5.32 0.00 -1.25 -4.83 120.51 124.72 3mgp n ALA 121 Ca 0.43 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 53.34 3mgp n ALA 121 Cb 0.46 -2.85 0.00 0.00 0.00 0.00 0.00 19.45 17.06 3mgp n ALA 121 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13