#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gmy s THR 3 N 0.00 3.25 -0.13 3.15 2.01 -1.25 -4.83 115.64 117.83 2gmy s THR 3 Ca 0.00 1.14 -0.29 0.00 0.31 0.00 0.00 61.69 62.85 2gmy s THR 3 Cb 0.00 -3.73 -0.26 0.00 0.01 0.00 0.00 72.50 68.53 2gmy s THR 3 CO 0.00 0.23 0.80 0.03 -0.69 0.00 0.00 174.62 174.99 2gmy h ARG 4 N 4.42 -0.00 -3.35 4.92 3.08 -1.21 -3.48 114.38 118.77 2gmy h ARG 4 Ca -0.46 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.37 2gmy h ARG 4 Cb 1.22 0.00 -0.29 0.00 0.08 0.00 0.00 29.97 30.97 2gmy h ARG 4 CO 0.71 0.97 -0.59 0.42 -1.07 0.00 0.00 179.97 180.41 2gmy s ILE 5 N -2.35 -0.03 -1.00 2.04 1.01 -1.24 -5.08 121.20 114.56 2gmy s ILE 5 Ca -0.19 0.09 -0.21 0.00 0.00 0.00 0.00 60.65 60.34 2gmy s ILE 5 Cb -0.03 -0.21 0.08 0.00 0.01 0.00 0.00 42.46 42.31 2gmy s ILE 5 CO 0.69 0.04 1.35 0.21 0.00 0.00 0.00 174.94 177.23 2gmy s ASN 6 N 0.63 6.55 0.34 3.58 3.84 -1.26 -4.87 114.94 123.75 2gmy s ASN 6 Ca -0.05 -1.67 0.09 0.00 0.21 0.00 0.00 52.86 51.45 2gmy s ASN 6 Cb -0.06 -2.51 0.60 0.00 -0.55 0.00 0.00 41.25 38.73 2gmy s ASN 6 CO -0.03 -1.36 1.79 0.10 -2.79 0.00 0.00 177.10 174.81 2gmy h TYR 7 N 9.44 0.19 -0.17 0.43 -0.00 -1.97 0.93 116.97 125.82 2gmy h TYR 7 Ca 0.19 -0.04 -0.04 0.00 0.00 0.00 0.00 58.73 58.84 2gmy h TYR 7 Cb 1.01 -0.05 -0.01 0.00 0.00 0.00 0.00 36.73 37.68 2gmy h TYR 7 CO 1.24 0.49 -0.05 0.00 -0.00 0.00 0.00 178.16 179.84 2gmy h ALA 8 N 1.51 1.59 0.15 0.10 0.00 -1.89 -2.05 119.26 118.67 2gmy h ALA 8 Ca 0.02 -0.16 -0.29 0.00 0.00 0.00 0.00 54.91 54.48 2gmy h ALA 8 Cb 0.67 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.38 2gmy h ALA 8 CO 0.05 0.30 -1.45 -0.22 0.00 0.00 0.00 179.25 177.94 2gmy h LYS 9 N 0.25 0.31 -0.74 0.00 3.64 -1.75 -3.19 116.57 115.09 2gmy h LYS 9 Ca 0.06 -0.53 -0.06 0.00 -1.27 0.00 0.00 60.65 58.85 2gmy h LYS 9 Cb 0.27 0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 32.25 2gmy h LYS 9 CO 0.01 1.25 0.24 0.00 -2.27 0.00 0.00 179.45 178.69 2gmy h ALA 10 N 0.02 1.02 -2.13 5.00 0.00 -0.79 -3.37 119.26 119.02 2gmy h ALA 10 Ca -0.29 -0.22 -0.49 0.00 0.00 0.00 0.00 54.91 53.91 2gmy h ALA 10 Cb 1.87 -0.29 -0.34 0.00 0.00 0.00 0.00 17.79 19.03 2gmy h ALA 10 CO 0.12 0.66 -0.84 0.45 0.00 0.00 0.00 179.25 179.64 2gmy s SER 11 N -6.42 1.19 0.28 0.00 0.15 -0.78 -5.02 113.70 103.11 2gmy s SER 11 Ca -0.12 -2.48 0.02 0.00 0.70 0.00 0.00 55.95 54.07 2gmy s SER 11 Cb 0.15 0.09 0.59 0.00 -1.71 0.00 0.00 66.02 65.14 2gmy s SER 11 CO 0.84 -0.19 1.80 -0.65 1.20 0.00 0.00 173.24 176.24 2gmy h PRO 12 N 6.01 0.81 -0.48 5.44 0.11 -1.73 -1.95 132.00 140.21 2gmy h PRO 12 Ca 0.17 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 66.17 2gmy h PRO 12 Cb 0.97 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.88 2gmy h PRO 12 CO 0.27 0.54 0.05 0.93 -0.21 0.00 0.00 178.00 179.58 2gmy h GLU 13 N 0.84 0.81 -0.41 1.05 3.07 -1.94 -0.35 114.58 117.64 2gmy h GLU 13 Ca 0.51 -0.23 -0.01 0.00 -0.50 0.00 0.00 59.36 59.13 2gmy h GLU 13 Cb 0.64 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.44 2gmy h GLU 13 CO -0.32 0.83 0.24 0.00 -1.40 0.00 0.00 179.01 178.36 2gmy h ALA 14 N 0.95 0.53 -0.40 3.43 0.00 -1.83 -1.39 119.26 120.54 2gmy h ALA 14 Ca 0.14 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.04 2gmy h ALA 14 Cb 0.43 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 2gmy h ALA 14 CO 0.01 0.04 0.10 0.35 0.00 0.00 0.00 179.25 179.75 2gmy h PHE 15 N 0.54 0.17 -0.91 0.00 3.57 -1.17 -2.24 116.94 116.91 2gmy h PHE 15 Ca 0.15 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.68 2gmy h PHE 15 Cb 0.03 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 38.71 2gmy h PHE 15 CO -0.03 0.04 0.60 0.87 -2.23 0.00 0.00 178.31 177.56 2gmy h LYS 16 N 0.24 1.18 -0.54 1.11 1.57 -0.77 -0.76 116.57 118.60 2gmy h LYS 16 Ca 0.19 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.87 2gmy h LYS 16 Cb 0.22 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 2gmy h LYS 16 CO -0.24 0.78 0.21 0.00 -0.57 0.00 0.00 179.45 179.64 2gmy h ALA 17 N 1.44 0.71 -0.54 3.86 0.00 -0.77 0.66 119.26 124.62 2gmy h ALA 17 Ca 0.34 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 2gmy h ALA 17 Cb -0.12 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 2gmy h ALA 17 CO -0.08 0.33 -0.11 0.28 0.00 0.00 0.00 179.25 179.68 2gmy h VAL 18 N 0.74 1.27 -0.33 0.00 2.07 -1.11 -2.77 116.25 116.12 2gmy h VAL 18 Ca 0.18 -1.26 -0.02 0.00 0.82 0.00 0.00 66.70 66.42 2gmy h VAL 18 Cb 0.21 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 2gmy h VAL 18 CO -0.01 0.45 0.12 0.24 0.02 0.00 0.00 177.57 178.38 2gmy h MET 19 N 0.91 0.46 -0.60 1.57 2.07 -0.76 -1.25 114.93 117.34 2gmy h MET 19 Ca 0.14 -0.06 -0.05 0.00 -2.07 0.00 0.00 59.70 57.66 2gmy h MET 19 Cb 0.67 -0.09 -0.02 0.00 -1.87 0.00 0.00 31.60 30.29 2gmy h MET 19 CO 0.05 0.40 0.17 0.00 1.07 0.00 0.00 176.91 178.60 2gmy h ALA 20 N 1.67 0.79 -0.51 6.32 0.00 -0.61 0.17 119.26 127.08 2gmy h ALA 20 Ca 0.11 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 2gmy h ALA 20 Cb 0.12 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2gmy h ALA 20 CO -0.01 0.47 0.16 1.25 0.00 0.00 0.00 179.25 181.12 2gmy h LEU 21 N 0.86 0.74 -0.72 0.00 5.85 -1.16 -1.37 115.31 119.52 2gmy h LEU 21 Ca 0.19 -0.20 0.06 0.00 0.84 0.00 0.00 57.88 58.77 2gmy h LEU 21 Cb 0.31 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.09 2gmy h LEU 21 CO -0.00 0.75 0.41 -0.08 -0.34 0.00 0.00 178.44 179.18 2gmy h GLU 22 N 0.70 0.74 -0.75 1.25 4.57 -1.06 -1.20 114.58 118.82 2gmy h GLU 22 Ca 0.17 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.27 2gmy h GLU 22 Cb 0.27 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 28.66 2gmy h GLU 22 CO -0.01 0.49 0.36 -0.97 -1.18 0.00 0.00 179.01 177.71 2gmy h ASN 23 N 0.76 0.98 -0.07 1.04 -1.24 -0.60 -1.09 115.58 115.37 2gmy h ASN 23 Ca 0.32 -0.13 0.02 0.00 0.71 0.00 0.00 56.30 57.21 2gmy h ASN 23 Cb 0.18 -0.25 -0.02 0.00 0.73 0.00 0.00 38.32 38.96 2gmy h ASN 23 CO -0.18 0.84 -0.04 0.22 -1.29 0.00 0.00 177.43 176.98 2gmy h TYR 24 N 1.06 -0.09 -0.45 0.67 3.20 -0.57 -2.40 116.97 118.39 2gmy h TYR 24 Ca 0.26 0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.19 2gmy h TYR 24 Cb 0.12 0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.39 2gmy h TYR 24 CO 0.01 -0.06 0.18 0.28 -1.64 0.00 0.00 178.16 176.92 2gmy h VAL 25 N -0.04 0.88 -0.34 1.81 2.07 -0.84 -0.75 116.25 119.04 2gmy h VAL 25 Ca 0.04 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 2gmy h VAL 25 Cb 0.10 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 2gmy h VAL 25 CO -0.09 0.07 0.20 1.56 0.02 0.00 0.00 177.57 179.33 2gmy h GLN 26 N 0.36 0.46 -0.58 1.57 1.08 -1.05 -2.57 115.11 114.38 2gmy h GLN 26 Ca 0.21 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.38 2gmy h GLN 26 Cb 0.19 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.52 2gmy h GLN 26 CO -0.20 0.33 0.00 -1.13 -0.95 0.00 0.00 178.83 176.87 2gmy n SER 27 N -4.46 3.55 0.25 1.46 3.41 -0.90 -4.63 113.62 112.30 2gmy n SER 27 Ca 0.02 -2.00 0.11 0.00 -0.26 0.00 0.00 58.87 56.74 2gmy n SER 27 Cb 0.08 -0.39 0.64 0.00 -0.26 0.00 0.00 64.21 64.28 2gmy n SER 27 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2gmy h SER 28 N 3.41 0.00 0.00 4.04 4.64 -0.72 -3.46 113.55 121.46 2gmy h SER 28 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2gmy h SER 28 Cb 0.89 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 2gmy h SER 28 CO 0.00 0.16 0.00 0.61 -0.87 0.00 0.00 176.83 176.73 2gmy n GLY 29 N -0.51 1.51 3.77 -0.77 0.00 -1.26 -5.10 105.19 102.82 2gmy n GLY 29 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 2gmy n GLY 29 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2gmy s LEU 30 N 0.00 4.14 0.31 0.99 1.43 -1.26 -4.94 118.68 119.35 2gmy s LEU 30 Ca 0.00 2.84 -0.29 0.00 -1.03 0.00 0.00 54.13 55.66 2gmy s LEU 30 Cb 0.00 -3.92 -0.13 0.00 0.03 0.00 0.00 46.19 42.17 2gmy s LEU 30 CO 0.00 -1.08 1.28 -0.62 0.23 0.00 0.00 176.35 176.16 2gmy n GLU 31 N -0.10 2.01 -0.35 1.70 1.02 -1.26 -4.84 120.64 118.82 2gmy n GLU 31 Ca 0.05 0.71 0.10 0.00 -0.02 0.00 0.00 57.16 57.99 2gmy n GLU 31 Cb 0.42 -2.28 0.28 0.00 -0.02 0.00 0.00 31.44 29.84 2gmy n GLU 31 CO 0.00 0.00 0.00 1.12 1.18 0.00 0.00 177.13 179.43 2gmy h HIS 32 N 2.90 1.06 -0.92 -0.32 2.07 -1.97 -1.48 115.15 116.48 2gmy h HIS 32 Ca -0.45 0.03 0.05 0.00 -2.85 0.00 0.00 60.37 57.16 2gmy h HIS 32 Cb 1.29 -0.32 -0.06 0.00 2.57 0.00 0.00 27.41 30.89 2gmy h HIS 32 CO 0.52 0.30 0.60 -0.09 -3.07 0.00 0.00 177.93 176.19 2gmy h ARG 33 N 0.83 1.07 0.01 5.12 2.43 -1.97 0.52 114.38 122.39 2gmy h ARG 33 Ca 0.54 -0.06 -0.25 0.00 -0.81 0.00 0.00 59.98 59.39 2gmy h ARG 33 Cb 0.72 -0.24 0.01 0.00 -0.42 0.00 0.00 29.97 30.04 2gmy h ARG 33 CO -0.34 0.71 -1.02 0.74 -1.51 0.00 0.00 179.97 178.55 2gmy h PHE 34 N 1.10 0.83 -0.35 2.20 0.04 -1.65 -1.84 116.94 117.27 2gmy h PHE 34 Ca 0.38 -0.46 0.03 0.00 2.80 0.00 0.00 57.97 60.72 2gmy h PHE 34 Cb 0.11 -0.09 -0.03 0.00 2.20 0.00 0.00 35.95 38.14 2gmy h PHE 34 CO -0.00 1.29 0.17 0.82 -0.60 0.00 0.00 178.31 179.99 2gmy h ILE 35 N 0.30 0.98 -0.62 -0.55 2.04 -0.87 -0.73 117.51 118.06 2gmy h ILE 35 Ca -0.11 -0.12 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 2gmy h ILE 35 Cb 1.66 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 38.30 2gmy h ILE 35 CO 0.19 0.07 0.35 0.45 0.00 0.00 0.00 178.15 179.20 2gmy h HIS 36 N 0.36 0.84 -0.15 1.37 3.86 -0.88 -1.38 115.15 119.17 2gmy h HIS 36 Ca 0.15 -0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.35 2gmy h HIS 36 Cb 0.06 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 28.25 2gmy h HIS 36 CO -0.10 0.60 0.08 1.25 0.86 0.00 0.00 177.93 180.61 2gmy h LEU 37 N 0.84 0.13 -0.19 2.43 6.46 -1.12 0.11 115.31 123.97 2gmy h LEU 37 Ca 0.22 0.00 0.03 0.00 -0.12 0.00 0.00 57.88 58.01 2gmy h LEU 37 Cb 0.02 -0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 39.90 2gmy h LEU 37 CO -0.04 0.10 0.03 0.40 -0.62 0.00 0.00 178.44 178.31 2gmy h ILE 38 N 0.17 0.91 -0.35 4.05 2.04 -0.91 -0.62 117.51 122.80 2gmy h ILE 38 Ca 0.06 -0.03 -0.05 0.00 1.00 0.00 0.00 64.86 65.83 2gmy h ILE 38 Cb 0.00 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 2gmy h ILE 38 CO -0.03 0.02 0.02 0.11 0.00 0.00 0.00 178.15 178.27 2gmy h LYS 39 N 0.10 0.60 -0.08 2.37 1.57 -1.06 -2.03 116.57 118.05 2gmy h LYS 39 Ca 0.08 -0.18 -0.03 0.00 -1.87 0.00 0.00 60.65 58.66 2gmy h LYS 39 Cb 0.08 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 2gmy h LYS 39 CO -0.12 0.71 -0.05 1.25 -0.57 0.00 0.00 179.45 180.67 2gmy h LEU 40 N 0.42 0.18 -0.24 2.94 5.85 -0.69 -2.39 115.31 121.39 2gmy h LEU 40 Ca 0.10 -0.44 -0.01 0.00 0.84 0.00 0.00 57.88 58.38 2gmy h LEU 40 Cb 0.42 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 2gmy h LEU 40 CO 0.01 0.58 0.12 -0.09 -0.34 0.00 0.00 178.44 178.73 2gmy h ARG 41 N -0.22 0.33 -0.85 1.25 9.65 -1.14 -1.67 114.38 121.72 2gmy h ARG 41 Ca 0.02 -0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 58.84 2gmy h ARG 41 Cb 0.52 -0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 28.99 2gmy h ARG 41 CO 0.01 0.32 0.48 0.00 2.80 0.00 0.00 179.97 183.58 2gmy h ALA 42 N 1.00 1.09 -0.75 2.80 0.00 -1.43 -1.51 119.26 120.45 2gmy h ALA 42 Ca 0.08 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2gmy h ALA 42 Cb 0.09 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 2gmy h ALA 42 CO -0.01 0.58 0.38 0.77 0.00 0.00 0.00 179.25 180.97 2gmy h SER 43 N 1.18 0.96 0.03 0.00 0.02 -1.20 -0.59 113.55 113.96 2gmy h SER 43 Ca 0.30 -0.12 -0.00 0.00 -0.84 0.00 0.00 61.79 61.13 2gmy h SER 43 Cb 0.00 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.30 2gmy h SER 43 CO -0.05 0.81 -0.02 0.40 -1.14 0.00 0.00 176.83 176.83 2gmy h ILE 44 N 1.05 1.02 -0.77 3.27 2.04 -0.95 -1.14 117.51 122.02 2gmy h ILE 44 Ca 0.26 -0.15 0.10 0.00 1.00 0.00 0.00 64.86 66.07 2gmy h ILE 44 Cb 0.09 1.12 -0.07 0.00 -0.74 0.00 0.00 36.82 37.21 2gmy h ILE 44 CO -0.04 0.04 0.41 0.40 0.00 0.00 0.00 178.15 178.96 2gmy h ILE 45 N -0.11 0.86 -0.00 -0.67 2.04 -0.96 -2.20 117.51 116.47 2gmy h ILE 45 Ca -0.00 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.62 2gmy h ILE 45 Cb 0.10 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.30 2gmy h ILE 45 CO 0.01 0.12 -0.00 0.59 0.00 0.00 0.00 178.15 178.87 2gmy n ASN 46 N -4.82 0.10 -0.55 1.72 3.02 -0.26 -4.90 115.26 109.57 2gmy n ASN 46 Ca 0.13 -0.98 -0.07 0.00 -0.03 0.00 0.00 54.58 53.63 2gmy n ASN 46 Cb 0.29 -0.02 -0.03 0.00 -0.61 0.00 0.00 39.78 39.41 2gmy n ASN 46 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2gmy n GLY 47 N 1.03 0.94 3.43 7.41 0.00 -0.77 -4.97 105.19 112.26 2gmy n GLY 47 Ca 0.23 -0.69 -0.44 0.00 0.00 0.00 0.00 46.02 45.12 2gmy n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gmy h ALA 49 N 9.22 0.95 -0.34 0.00 0.00 -1.93 -0.35 119.26 126.81 2gmy h ALA 49 Ca -0.14 -0.30 0.03 0.00 0.00 0.00 0.00 54.91 54.50 2gmy h ALA 49 Cb 1.06 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 2gmy h ALA 49 CO 1.13 0.63 0.15 0.35 0.00 0.00 0.00 179.25 181.51 2gmy h PHE 50 N 0.83 0.27 -0.11 0.00 3.57 -1.89 0.15 116.94 119.76 2gmy h PHE 50 Ca 0.15 0.02 -0.22 0.00 3.53 0.00 0.00 57.97 61.44 2gmy h PHE 50 Cb 0.55 -0.07 0.01 0.00 2.79 0.00 0.00 35.95 39.23 2gmy h PHE 50 CO 0.03 0.14 -0.79 0.00 -2.23 0.00 0.00 178.31 175.46 2gmy h VAL 52 N 0.44 0.87 -0.40 0.00 2.07 -0.91 0.14 116.25 118.46 2gmy h VAL 52 Ca -0.07 -0.11 0.03 0.00 0.82 0.00 0.00 66.70 67.37 2gmy h VAL 52 Cb 1.43 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.68 2gmy h VAL 52 CO 0.16 0.06 0.19 -0.78 0.02 0.00 0.00 177.57 177.23 2gmy h ASP 53 N 0.33 0.28 -0.31 0.57 3.58 -0.95 0.41 116.42 120.32 2gmy h ASP 53 Ca 0.21 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.67 2gmy h ASP 53 Cb 0.19 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.20 2gmy h ASP 53 CO -0.21 0.20 0.16 -0.03 -2.88 0.00 0.00 179.24 176.49 2gmy h MET 54 N 0.39 0.45 0.00 0.28 4.05 -1.06 -2.62 114.93 116.43 2gmy h MET 54 Ca 0.17 -0.06 -0.11 0.00 -0.28 0.00 0.00 59.70 59.42 2gmy h MET 54 Cb 0.08 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 30.78 2gmy h MET 54 CO -0.12 0.40 -0.54 0.45 0.23 0.00 0.00 176.91 177.33 2gmy h HIS 55 N 0.38 0.00 -0.22 1.39 3.86 -0.31 -1.16 115.15 119.09 2gmy h HIS 55 Ca 0.11 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.31 2gmy h HIS 55 Cb 0.10 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.56 2gmy h HIS 55 CO -0.02 0.54 0.11 0.28 0.86 0.00 0.00 177.93 179.70 2gmy h VAL 56 N 0.00 1.14 -0.74 2.45 2.07 -0.91 -0.94 116.25 119.31 2gmy h VAL 56 Ca -0.01 -0.39 -0.02 0.00 0.82 0.00 0.00 66.70 67.10 2gmy h VAL 56 Cb 1.34 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 32.06 2gmy h VAL 56 CO 0.07 0.13 0.38 0.11 0.02 0.00 0.00 177.57 178.28 2gmy h LYS 57 N 0.23 1.06 -0.40 1.57 1.57 -1.12 -0.77 116.57 118.71 2gmy h LYS 57 Ca 0.08 -0.14 -0.15 0.00 -1.87 0.00 0.00 60.65 58.56 2gmy h LYS 57 Cb 0.12 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 2gmy h LYS 57 CO -0.01 0.81 -0.35 0.93 -0.57 0.00 0.00 179.45 180.26 2gmy h GLU 58 N 1.04 0.94 -0.51 3.15 5.08 -1.15 -1.22 114.58 121.91 2gmy h GLU 58 Ca 0.26 -0.48 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 2gmy h GLU 58 Cb 0.09 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 2gmy h GLU 58 CO -0.04 1.14 0.33 0.77 -1.00 0.00 0.00 179.01 180.22 2gmy h SER 59 N 0.77 0.60 -0.57 1.42 0.02 -0.91 -1.61 113.55 113.26 2gmy h SER 59 Ca 0.07 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.97 2gmy h SER 59 Cb 0.95 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 63.31 2gmy h SER 59 CO 0.09 0.44 0.25 -0.09 -1.14 0.00 0.00 176.83 176.38 2gmy h ARG 60 N 0.69 0.83 -0.92 3.45 2.43 -0.99 -2.01 114.38 117.86 2gmy h ARG 60 Ca 0.19 -0.13 0.05 0.00 -0.81 0.00 0.00 59.98 59.28 2gmy h ARG 60 Cb -0.07 -0.14 -0.06 0.00 -0.42 0.00 0.00 29.97 29.28 2gmy h ARG 60 CO -0.04 0.69 0.60 1.25 -1.51 0.00 0.00 179.97 180.97 2gmy h HIS 61 N 0.77 1.10 -0.22 2.20 2.76 -0.87 -1.38 115.15 119.50 2gmy h HIS 61 Ca 0.19 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.39 2gmy h HIS 61 Cb 0.15 -0.36 0.00 0.00 1.55 0.00 0.00 27.41 28.75 2gmy h HIS 61 CO 0.00 0.60 0.00 -0.25 -1.30 0.00 0.00 177.93 176.98 2gmy n ASP 62 N -4.47 1.35 0.00 3.26 8.00 -0.64 -4.91 116.55 119.15 2gmy n ASP 62 Ca 0.13 -2.03 0.00 0.00 0.71 0.00 0.00 54.79 53.60 2gmy n ASP 62 Cb 0.16 -0.20 0.00 0.00 -0.02 0.00 0.00 41.12 41.06 2gmy n ASP 62 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2gmy n GLY 63 N 0.78 0.73 3.77 0.44 0.00 -0.52 -5.04 105.19 105.35 2gmy n GLY 63 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 2gmy n GLY 63 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2gmy s LEU 64 N 0.00 4.34 0.71 0.99 1.43 -0.80 -4.98 118.68 120.38 2gmy s LEU 64 Ca 0.00 2.59 -0.12 0.00 -1.03 0.00 0.00 54.13 55.57 2gmy s LEU 64 Cb 0.00 -3.78 0.03 0.00 0.03 0.00 0.00 46.19 42.46 2gmy s LEU 64 CO 0.00 -0.62 1.09 -0.94 0.23 0.00 0.00 176.35 176.11 2gmy s SER 65 N -0.70 4.87 0.34 2.29 1.04 -1.26 -4.53 113.70 115.75 2gmy s SER 65 Ca 0.52 1.87 0.03 0.00 0.48 0.00 0.00 55.95 58.85 2gmy s SER 65 Cb -0.37 -2.53 0.62 0.00 0.10 0.00 0.00 66.02 63.84 2gmy s SER 65 CO 0.48 -1.79 1.93 -0.33 0.98 0.00 0.00 173.24 174.52 2gmy h GLU 66 N -0.58 0.65 -0.33 4.02 4.39 -1.99 -2.13 114.58 118.61 2gmy h GLU 66 Ca -0.45 -0.09 -0.02 0.00 0.34 0.00 0.00 59.36 59.14 2gmy h GLU 66 Cb 1.23 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.75 2gmy h GLU 66 CO 0.53 0.55 0.13 0.37 -1.16 0.00 0.00 179.01 179.44 2gmy h GLN 67 N 0.64 0.49 -0.91 2.33 4.15 -1.98 0.24 115.11 120.07 2gmy h GLN 67 Ca 0.15 -0.09 0.05 0.00 0.77 0.00 0.00 58.65 59.54 2gmy h GLN 67 Cb 0.16 -0.08 -0.06 0.00 0.21 0.00 0.00 27.48 27.71 2gmy h GLN 67 CO -0.01 0.48 0.58 2.35 -1.93 0.00 0.00 178.83 180.30 2gmy h TRP 68 N 0.38 1.08 0.08 3.99 7.01 -1.85 -0.89 115.95 125.76 2gmy h TRP 68 Ca 0.11 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.13 2gmy h TRP 68 Cb 0.18 -0.35 0.00 0.00 -2.10 0.00 0.00 29.16 26.88 2gmy h TRP 68 CO -0.01 0.58 -0.04 0.82 -2.79 0.00 0.00 178.44 177.00 2gmy h ILE 69 N 1.08 1.15 -0.06 2.65 2.04 -1.10 -3.31 117.51 119.96 2gmy h ILE 69 Ca 0.38 -0.92 -0.08 0.00 1.00 0.00 0.00 64.86 65.24 2gmy h ILE 69 Cb 0.11 1.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.92 2gmy h ILE 69 CO -0.15 0.22 -0.35 0.78 0.00 0.00 0.00 178.15 178.66 2gmy h ASN 70 N -0.54 0.12 -0.07 1.72 2.35 -0.23 -2.90 115.58 116.03 2gmy h ASN 70 Ca -0.01 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 2gmy h ASN 70 Cb 0.45 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.79 2gmy h ASN 70 CO 0.02 0.46 0.00 0.18 -1.65 0.00 0.00 177.43 176.44 2gmy n LEU 71 N -4.10 1.52 0.21 1.61 7.99 -0.36 -4.20 117.00 119.67 2gmy n LEU 71 Ca -0.02 -0.56 0.05 0.00 -0.01 0.00 0.00 56.01 55.48 2gmy n LEU 71 Cb 0.41 -0.04 0.46 0.00 -0.11 0.00 0.00 43.42 44.14 2gmy n LEU 71 CO 0.40 0.28 0.82 -0.03 -1.51 0.00 0.00 177.39 177.35 2gmy h MET 72 N 2.25 0.00 0.00 3.23 4.05 -1.59 -0.71 114.93 122.16 2gmy h MET 72 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2gmy h MET 72 Cb 0.48 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.28 2gmy h MET 72 CO 0.00 0.26 0.00 0.66 0.23 0.00 0.00 176.91 178.06 2gmy h SER 73 N 0.00 0.00 -0.30 1.39 4.64 -1.82 -3.26 113.55 114.21 2gmy h SER 73 Ca -0.00 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.08 2gmy h SER 73 Cb 0.49 0.00 -0.38 0.00 -0.31 0.00 0.00 62.40 62.21 2gmy h SER 73 CO 0.03 0.00 -1.03 1.33 -0.87 0.00 0.00 176.83 176.30 2gmy n VAL 74 N -2.79 1.04 0.19 0.95 0.24 -0.34 -4.95 118.33 112.66 2gmy n VAL 74 Ca 0.00 -2.45 0.12 0.00 -2.04 0.00 0.00 64.34 59.97 2gmy n VAL 74 Cb 0.23 0.87 0.67 0.00 -1.47 0.00 0.00 33.84 34.14 2gmy n VAL 74 CO 0.00 0.00 0.00 4.11 -2.14 0.00 0.00 176.83 178.80 2gmy h TRP 75 N 1.95 0.00 -0.59 6.34 5.08 -1.41 -2.79 115.95 124.53 2gmy h TRP 75 Ca -0.11 0.00 0.06 0.00 1.08 0.00 0.00 58.89 59.92 2gmy h TRP 75 Cb 1.48 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 27.61 2gmy h TRP 75 CO 0.45 0.00 0.39 0.00 -1.28 0.00 0.00 178.44 178.00 2gmy h ARG 76 N 0.00 0.56 -0.59 0.12 3.08 -1.91 -1.89 114.38 113.75 2gmy h ARG 76 Ca 0.07 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.09 2gmy h ARG 76 Cb 0.30 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.22 2gmy h ARG 76 CO -0.00 0.37 0.00 0.39 -1.07 0.00 0.00 179.97 179.66 2gmy n GLU 77 N -4.47 2.64 -3.98 0.04 -0.58 -1.05 -4.93 120.64 108.30 2gmy n GLU 77 Ca 0.08 -2.51 -0.35 0.00 -0.42 0.00 0.00 57.16 53.96 2gmy n GLU 77 Cb 0.23 -1.54 -0.11 0.00 -0.57 0.00 0.00 31.44 29.44 2gmy n GLU 77 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2gmy s SER 78 N -1.20 5.34 0.00 1.62 0.15 -0.71 -4.98 113.70 113.93 2gmy s SER 78 Ca 0.44 -0.05 0.17 0.00 0.70 0.00 0.00 55.95 57.22 2gmy s SER 78 Cb 0.24 -1.93 1.03 0.00 -1.71 0.00 0.00 66.02 63.66 2gmy s SER 78 CO 0.32 0.10 1.44 -0.81 1.20 0.00 0.00 173.24 175.49 2gmy n PRO 79 N 4.04 0.60 -0.11 5.44 -0.04 -1.26 -3.86 135.00 139.80 2gmy n PRO 79 Ca -0.16 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.29 2gmy n PRO 79 Cb 0.52 -1.45 0.25 0.00 -0.04 0.00 0.00 33.50 32.77 2gmy n PRO 79 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2gmy h VAL 80 N 0.00 1.20 -3.34 0.52 2.07 -1.93 -3.44 116.25 111.32 2gmy h VAL 80 Ca 0.00 -0.64 -0.56 0.00 0.82 0.00 0.00 66.70 66.32 2gmy h VAL 80 Cb 0.00 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 30.31 2gmy h VAL 80 CO 0.00 0.25 0.04 -0.31 0.02 0.00 0.00 177.57 177.57 2gmy s TYR 81 N -5.33 3.83 0.87 1.57 2.02 -1.25 -5.05 117.35 114.01 2gmy s TYR 81 Ca -0.09 1.40 -0.11 0.00 -0.37 0.00 0.00 57.07 57.89 2gmy s TYR 81 Cb 0.16 -2.60 0.11 0.00 -0.40 0.00 0.00 41.96 39.23 2gmy s TYR 81 CO 0.78 0.54 1.09 0.95 -1.57 0.00 0.00 175.55 177.35 2gmy s THR 82 N -1.04 2.81 0.31 -0.71 -4.23 -1.26 -4.77 115.64 106.75 2gmy s THR 82 Ca 0.32 0.26 0.01 0.00 -1.18 0.00 0.00 61.69 61.10 2gmy s THR 82 Cb -0.21 -2.78 0.28 0.00 1.34 0.00 0.00 72.50 71.14 2gmy s THR 82 CO 0.21 -0.34 1.93 -0.33 -0.54 0.00 0.00 174.62 175.55 2gmy h GLU 83 N -1.43 0.97 -0.27 3.99 4.39 -1.99 0.71 114.58 120.95 2gmy h GLU 83 Ca -0.48 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.15 2gmy h GLU 83 Cb 1.27 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 29.69 2gmy h GLU 83 CO 0.55 0.64 0.12 0.37 -1.16 0.00 0.00 179.01 179.53 2gmy h GLN 84 N 1.00 0.39 -0.91 2.33 4.15 -1.97 -1.23 115.11 118.87 2gmy h GLN 84 Ca 0.36 -0.06 0.01 0.00 0.77 0.00 0.00 58.65 59.73 2gmy h GLN 84 Cb 0.14 -0.07 -0.05 0.00 0.21 0.00 0.00 27.48 27.72 2gmy h GLN 84 CO -0.12 0.40 0.60 0.93 -1.93 0.00 0.00 178.83 178.72 2gmy h GLU 85 N 0.29 1.19 -0.65 1.69 5.08 -1.70 -1.60 114.58 118.88 2gmy h GLU 85 Ca 0.09 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 2gmy h GLU 85 Cb 0.15 -0.27 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 2gmy h GLU 85 CO -0.01 0.79 0.19 0.00 -1.00 0.00 0.00 179.01 178.98 2gmy h ARG 86 N 1.23 1.01 -0.36 2.33 3.08 -0.63 0.25 114.38 121.29 2gmy h ARG 86 Ca 0.34 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 2gmy h ARG 86 Cb -0.13 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.75 2gmy h ARG 86 CO -0.08 0.87 0.20 0.00 -1.07 0.00 0.00 179.97 179.90 2gmy h ALA 87 N 1.24 0.46 -0.35 0.04 0.00 -0.77 -0.69 119.26 119.19 2gmy h ALA 87 Ca 0.21 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 2gmy h ALA 87 Cb 0.30 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2gmy h ALA 87 CO -0.01 -0.02 0.15 1.25 0.00 0.00 0.00 179.25 180.63 2gmy h LEU 88 N 0.46 0.48 -0.83 0.00 5.85 -0.90 -2.78 115.31 117.59 2gmy h LEU 88 Ca 0.13 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 2gmy h LEU 88 Cb 0.05 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 2gmy h LEU 88 CO -0.02 0.51 0.51 -0.07 -0.34 0.00 0.00 178.44 179.02 2gmy h LEU 89 N 0.43 1.00 -1.07 2.25 3.38 -0.29 0.89 115.31 121.89 2gmy h LEU 89 Ca 0.12 -0.06 0.07 0.00 0.09 0.00 0.00 57.88 58.10 2gmy h LEU 89 Cb 0.17 -0.25 -0.07 0.00 0.09 0.00 0.00 40.66 40.60 2gmy h LEU 89 CO -0.01 0.76 0.62 1.23 0.09 0.00 0.00 178.44 181.13 2gmy h GLY 90 N 1.14 1.45 0.86 0.83 0.00 -1.01 -0.09 103.07 106.25 2gmy h GLY 90 Ca 0.30 -0.44 -0.16 0.00 0.00 0.00 0.00 47.33 47.03 2gmy h GLY 90 CO -0.06 0.30 -0.59 -0.25 0.00 0.00 0.00 176.54 175.95 2gmy h TRP 91 N 1.09 0.69 -0.50 5.60 2.91 -1.05 -1.84 115.95 122.85 2gmy h TRP 91 Ca 0.42 -0.34 0.08 0.00 1.13 0.00 0.00 58.89 60.18 2gmy h TRP 91 Cb 0.23 -0.09 -0.06 0.00 -0.51 0.00 0.00 29.16 28.72 2gmy h TRP 91 CO -0.00 1.14 0.14 0.28 -1.03 0.00 0.00 178.44 178.97 2gmy h VAL 92 N 0.04 0.78 -0.04 2.65 2.07 -0.53 -0.05 116.25 121.17 2gmy h VAL 92 Ca -0.06 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.36 2gmy h VAL 92 Cb 1.26 0.45 -0.00 0.00 -1.52 0.00 0.00 31.29 31.48 2gmy h VAL 92 CO 0.12 0.05 0.02 0.44 0.02 0.00 0.00 177.57 178.23 2gmy h ASP 93 N 0.30 0.05 -0.64 0.57 5.19 -1.02 0.27 116.42 121.15 2gmy h ASP 93 Ca 0.25 -0.09 -0.03 0.00 -0.62 0.00 0.00 57.03 56.54 2gmy h ASP 93 Cb 0.30 -0.01 -0.03 0.00 0.18 0.00 0.00 39.33 39.76 2gmy h ASP 93 CO -0.28 0.12 0.30 0.00 -3.12 0.00 0.00 179.24 176.26 2gmy h ALA 94 N 0.93 0.83 0.11 3.45 0.00 -1.07 -1.98 119.26 121.54 2gmy h ALA 94 Ca 0.01 -0.15 -0.28 0.00 0.00 0.00 0.00 54.91 54.50 2gmy h ALA 94 Cb 0.08 -0.25 0.02 0.00 0.00 0.00 0.00 17.79 17.64 2gmy h ALA 94 CO -0.00 0.40 -1.21 0.28 0.00 0.00 0.00 179.25 178.72 2gmy h VAL 95 N 0.89 1.36 -0.73 0.00 2.07 -0.98 -2.40 116.25 116.45 2gmy h VAL 95 Ca 0.22 -2.63 0.00 0.00 0.82 0.00 0.00 66.70 65.11 2gmy h VAL 95 Cb 0.14 2.74 -0.04 0.00 -1.52 0.00 0.00 31.29 32.61 2gmy h VAL 95 CO -0.03 0.79 0.45 0.74 0.02 0.00 0.00 177.57 179.54 2gmy h THR 96 N 0.21 1.20 -1.29 2.57 2.02 -0.89 -2.52 112.91 114.20 2gmy h THR 96 Ca -0.16 -0.41 -0.69 0.00 0.77 0.00 0.00 66.41 65.92 2gmy h THR 96 Cb 1.89 0.16 -0.30 0.00 -1.74 0.00 0.00 68.15 68.16 2gmy h THR 96 CO 0.22 0.20 0.76 0.29 0.37 0.00 0.00 175.52 177.36 2gmy n LYS 97 N -4.40 2.80 -0.21 6.66 5.02 -0.75 -4.79 118.16 122.48 2gmy n LYS 97 Ca 0.08 -3.46 0.14 0.00 -2.02 0.00 0.00 58.31 53.04 2gmy n LYS 97 Cb 0.05 -2.28 0.45 0.00 -0.02 0.00 0.00 35.03 33.23 2gmy n LYS 97 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 2gmy h ILE 98 N 1.43 0.81 -0.01 -0.18 6.09 -0.97 -1.39 117.51 123.29 2gmy h ILE 98 Ca 0.57 -0.19 -0.09 0.00 -1.37 0.00 0.00 64.86 63.79 2gmy h ILE 98 Cb 0.63 0.22 -0.01 0.00 0.47 0.00 0.00 36.82 38.14 2gmy h ILE 98 CO 1.47 0.10 -0.40 0.00 -3.07 0.00 0.00 178.15 176.24 2gmy h ALA 99 N 1.62 1.30 0.11 0.18 0.00 -1.86 0.13 119.26 120.74 2gmy h ALA 99 Ca 0.41 -0.37 -0.36 0.00 0.00 0.00 0.00 54.91 54.59 2gmy h ALA 99 Cb 0.80 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 2gmy h ALA 99 CO -0.16 0.52 -1.97 -1.91 0.00 0.00 0.00 179.25 175.73 2gmy n GLU 100 N -4.05 0.74 -0.08 0.00 2.13 -0.64 -4.58 120.64 114.17 2gmy n GLU 100 Ca -0.02 0.26 -0.10 0.00 0.66 0.00 0.00 57.16 57.97 2gmy n GLU 100 Cb 0.44 -1.72 -0.15 0.00 0.27 0.00 0.00 31.44 30.28 2gmy n GLU 100 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 2gmy n THR 101 N -3.42 1.47 -1.31 6.31 -2.24 -0.62 -4.99 114.28 109.48 2gmy n THR 101 Ca -0.30 -0.83 -0.11 0.00 -2.27 0.00 0.00 64.05 60.54 2gmy n THR 101 Cb 1.05 -0.69 -0.05 0.00 -2.10 0.00 0.00 70.33 68.54 2gmy n THR 101 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2gmy n GLY 102 N 1.71 1.10 3.18 3.38 0.00 0.03 -4.09 105.19 110.51 2gmy n GLY 102 Ca -0.28 -0.13 -0.08 0.00 0.00 0.00 0.00 46.02 45.52 2gmy n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gmy n ALA 103 N 1.20 -2.64 -1.35 4.61 0.00 -1.26 -4.95 120.51 116.11 2gmy n ALA 103 Ca -0.11 0.20 -0.34 0.00 0.00 0.00 0.00 53.44 53.19 2gmy n ALA 103 Cb 0.50 -1.85 0.09 0.00 0.00 0.00 0.00 19.45 18.20 2gmy n ALA 103 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2gmy s PRO 104 N -3.25 2.14 0.27 0.00 0.02 -1.26 -4.81 135.00 128.12 2gmy s PRO 104 Ca 0.07 1.74 -0.00 0.00 0.02 0.00 0.00 61.00 62.83 2gmy s PRO 104 Cb -0.02 -1.84 0.56 0.00 0.02 0.00 0.00 34.50 33.23 2gmy s PRO 104 CO 0.79 -1.83 1.77 -0.44 -0.33 0.00 0.00 177.00 176.96 2gmy h ASP 105 N -0.31 0.58 -0.49 2.53 3.32 -1.96 -2.23 116.42 117.86 2gmy h ASP 105 Ca -0.47 0.09 -0.01 0.00 0.02 0.00 0.00 57.03 56.66 2gmy h ASP 105 Cb 1.29 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.82 2gmy h ASP 105 CO 0.50 0.24 0.28 0.44 -1.72 0.00 0.00 179.24 178.98 2gmy h ASP 106 N 0.66 0.60 -0.63 6.45 3.32 -1.99 0.16 116.42 124.99 2gmy h ASP 106 Ca 0.48 -0.08 -0.07 0.00 0.02 0.00 0.00 57.03 57.39 2gmy h ASP 106 Cb 0.67 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 40.04 2gmy h ASP 106 CO -0.36 0.50 0.15 0.00 -1.72 0.00 0.00 179.24 177.81 2gmy h ALA 107 N 1.12 1.02 -0.17 3.45 0.00 -1.83 -1.56 119.26 121.30 2gmy h ALA 107 Ca 0.17 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 2gmy h ALA 107 Cb 0.02 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 2gmy h ALA 107 CO -0.03 0.63 -0.08 0.35 0.00 0.00 0.00 179.25 180.12 2gmy h PHE 108 N 0.99 0.42 -0.80 0.00 3.57 -0.98 -2.20 116.94 117.94 2gmy h PHE 108 Ca 0.21 -0.10 -0.04 0.00 3.53 0.00 0.00 57.97 61.56 2gmy h PHE 108 Cb 0.37 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 38.97 2gmy h PHE 108 CO 0.03 0.67 0.35 0.93 -2.23 0.00 0.00 178.31 178.06 2gmy h GLU 109 N 0.04 1.16 -0.64 1.11 5.08 -0.62 -0.07 114.58 120.64 2gmy h GLU 109 Ca 0.04 -0.19 -0.05 0.00 -1.00 0.00 0.00 59.36 58.16 2gmy h GLU 109 Cb 0.56 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 2gmy h GLU 109 CO 0.03 0.92 0.20 1.15 -1.00 0.00 0.00 179.01 180.31 2gmy h THR 110 N 1.15 1.25 -0.48 1.13 2.02 -1.28 -2.42 112.91 114.26 2gmy h THR 110 Ca 0.27 -0.85 -0.00 0.00 0.77 0.00 0.00 66.41 66.60 2gmy h THR 110 Cb 0.16 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 2gmy h THR 110 CO -0.03 0.33 0.29 0.25 0.37 0.00 0.00 175.52 176.72 2gmy h LEU 111 N 0.93 0.59 -2.03 2.58 5.85 -0.76 -2.85 115.31 119.61 2gmy h LEU 111 Ca 0.21 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 2gmy h LEU 111 Cb 0.29 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.17 2gmy h LEU 111 CO -0.01 0.48 -0.08 -0.09 -0.34 0.00 0.00 178.44 178.40 2gmy h ARG 112 N 0.64 0.00 0.00 1.25 2.43 -0.71 -0.59 114.38 117.40 2gmy h ARG 112 Ca 0.17 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.33 2gmy h ARG 112 Cb 0.00 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2gmy h ARG 112 CO -0.03 0.08 -0.06 0.00 -1.51 0.00 0.00 179.97 178.45 2gmy h ALA 113 N 1.92 1.10 0.00 2.80 0.00 -1.19 -3.31 119.26 120.58 2gmy h ALA 113 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2gmy h ALA 113 Cb 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2gmy h ALA 113 CO 0.01 0.07 -0.33 0.72 0.00 0.00 0.00 179.25 179.72 2gmy n HIS 114 N -3.30 0.00 -4.02 0.00 8.25 -0.31 -5.05 115.22 110.79 2gmy n HIS 114 Ca -0.01 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.33 2gmy n HIS 114 Cb 0.23 -0.01 -0.12 0.00 1.12 0.00 0.00 29.99 31.22 2gmy n HIS 114 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2gmy s PHE 115 N -1.37 0.41 0.83 4.41 0.08 -0.71 -5.07 117.98 116.56 2gmy s PHE 115 Ca 0.00 -0.42 -0.11 0.00 0.12 0.00 0.00 56.93 56.52 2gmy s PHE 115 Cb 0.01 -0.26 0.09 0.00 -0.57 0.00 0.00 43.02 42.28 2gmy s PHE 115 CO 0.03 -0.11 1.09 -1.54 -0.10 0.00 0.00 175.22 174.59 2gmy s SER 116 N -1.23 4.13 0.28 1.36 1.04 -1.26 -4.55 113.70 113.48 2gmy s SER 116 Ca -0.10 1.53 -0.03 0.00 0.48 0.00 0.00 55.95 57.83 2gmy s SER 116 Cb -0.08 -2.25 0.39 0.00 0.10 0.00 0.00 66.02 64.18 2gmy s SER 116 CO -0.00 -2.23 1.94 0.44 0.98 0.00 0.00 173.24 174.37 2gmy h ASP 117 N -1.26 1.02 -0.24 7.02 5.19 -1.99 0.37 116.42 126.53 2gmy h ASP 117 Ca -0.47 -0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 55.91 2gmy h ASP 117 Cb 1.26 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 40.51 2gmy h ASP 117 CO 0.55 0.72 0.12 -0.08 -3.12 0.00 0.00 179.24 177.43 2gmy h GLU 118 N 1.19 0.34 -0.99 3.56 4.81 -2.00 -1.60 114.58 119.90 2gmy h GLU 118 Ca 0.34 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.54 2gmy h GLU 118 Cb -0.08 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.19 2gmy h GLU 118 CO -0.09 0.34 0.65 0.93 -0.73 0.00 0.00 179.01 180.12 2gmy h GLU 119 N 0.26 1.27 -0.72 1.92 5.08 -1.82 -1.73 114.58 118.84 2gmy h GLU 119 Ca 0.08 -0.08 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 2gmy h GLU 119 Cb 0.11 -0.29 -0.03 0.00 0.50 0.00 0.00 28.75 29.04 2gmy h GLU 119 CO -0.01 0.84 0.22 0.82 -1.00 0.00 0.00 179.01 179.88 2gmy h ILE 120 N 1.31 1.26 -0.29 3.13 2.04 -0.54 0.19 117.51 124.61 2gmy h ILE 120 Ca 0.37 -0.90 -0.02 0.00 1.00 0.00 0.00 64.86 65.32 2gmy h ILE 120 Cb -0.10 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 36.44 2gmy h ILE 120 CO -0.10 0.35 0.11 0.58 0.00 0.00 0.00 178.15 179.09 2gmy h VAL 121 N 1.07 1.19 -0.51 1.67 2.07 -0.92 -0.47 116.25 120.35 2gmy h VAL 121 Ca 0.23 -0.58 0.03 0.00 0.82 0.00 0.00 66.70 67.21 2gmy h VAL 121 Cb 0.31 1.03 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 2gmy h VAL 121 CO -0.01 0.20 0.28 0.11 0.02 0.00 0.00 177.57 178.17 2gmy h LYS 122 N 0.31 0.54 -0.23 1.57 1.57 -0.91 -0.64 116.57 118.77 2gmy h LYS 122 Ca 0.10 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.86 2gmy h LYS 122 Cb 0.20 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 2gmy h LYS 122 CO -0.01 0.36 0.09 0.82 -0.57 0.00 0.00 179.45 180.14 2gmy h ILE 123 N 0.55 0.96 -0.48 1.86 2.04 -0.53 -1.21 117.51 120.71 2gmy h ILE 123 Ca 0.21 -0.07 -0.10 0.00 1.00 0.00 0.00 64.86 65.90 2gmy h ILE 123 Cb 0.08 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 2gmy h ILE 123 CO -0.12 0.04 -0.10 0.74 0.00 0.00 0.00 178.15 178.71 2gmy h THR 124 N 0.21 1.26 -0.68 -0.27 2.02 -0.74 0.48 112.91 115.19 2gmy h THR 124 Ca 0.10 -1.20 -0.06 0.00 0.77 0.00 0.00 66.41 66.02 2gmy h THR 124 Cb 0.05 0.99 -0.03 0.00 -1.74 0.00 0.00 68.15 67.43 2gmy h THR 124 CO -0.09 0.42 0.18 0.58 0.37 0.00 0.00 175.52 176.98 2gmy h VAL 125 N 0.79 1.26 -0.70 3.16 2.07 -1.00 -1.28 116.25 120.54 2gmy h VAL 125 Ca 0.13 -0.93 0.01 0.00 0.82 0.00 0.00 66.70 66.73 2gmy h VAL 125 Cb 0.61 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.91 2gmy h VAL 125 CO 0.04 0.36 0.46 0.00 0.02 0.00 0.00 177.57 178.44 2gmy h ALA 126 N 1.08 0.89 -0.74 1.67 0.00 -0.66 0.14 119.26 121.64 2gmy h ALA 126 Ca 0.21 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.09 2gmy h ALA 126 Cb 0.35 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 2gmy h ALA 126 CO -0.00 0.29 0.48 0.82 0.00 0.00 0.00 179.25 180.84 2gmy h ILE 127 N 0.93 1.19 -0.51 0.00 2.04 -0.66 -1.60 117.51 118.90 2gmy h ILE 127 Ca 0.26 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.76 2gmy h ILE 127 Cb -0.08 0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 36.09 2gmy h ILE 127 CO -0.07 0.19 0.32 1.23 0.00 0.00 0.00 178.15 179.82 2gmy h GLY 128 N 1.00 0.74 1.00 5.37 0.00 -0.49 -1.41 103.07 109.28 2gmy h GLY 128 Ca 0.27 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.31 2gmy h GLY 128 CO -0.06 0.29 0.20 0.00 0.00 0.00 0.00 176.54 176.97 2gmy h ALA 129 N 1.16 0.39 -0.09 3.60 0.00 -0.32 -1.11 119.26 122.89 2gmy h ALA 129 Ca 0.19 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.94 2gmy h ALA 129 Cb -0.04 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2gmy h ALA 129 CO -0.04 -0.14 -0.52 0.97 0.00 0.00 0.00 179.25 179.53 2gmy h ILE 130 N 0.41 1.35 -0.10 0.00 6.09 -1.23 -1.66 117.51 122.38 2gmy h ILE 130 Ca 0.11 -1.77 -0.01 0.00 -1.37 0.00 0.00 64.86 61.82 2gmy h ILE 130 Cb -0.04 1.85 -0.01 0.00 0.47 0.00 0.00 36.82 39.09 2gmy h ILE 130 CO -0.02 0.53 0.00 0.78 -3.07 0.00 0.00 178.15 176.37 2gmy h ASN 131 N 0.20 0.12 -0.03 2.19 2.35 -0.80 0.44 115.58 120.05 2gmy h ASN 131 Ca 0.01 -0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 2gmy h ASN 131 Cb 0.98 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.32 2gmy h ASN 131 CO 0.08 0.15 -0.12 0.74 -1.65 0.00 0.00 177.43 176.62 2gmy h THR 132 N 0.14 1.47 -0.73 2.81 2.02 -0.48 -2.69 112.91 115.45 2gmy h THR 132 Ca 0.03 -1.58 0.04 0.00 0.77 0.00 0.00 66.41 65.67 2gmy h THR 132 Cb 0.09 2.44 -0.05 0.00 -1.74 0.00 0.00 68.15 68.89 2gmy h THR 132 CO 0.00 0.43 0.45 -0.50 0.37 0.00 0.00 175.52 176.27 2gmy h TRP 133 N -0.44 0.84 -0.89 3.16 4.06 -0.94 -0.85 115.95 120.90 2gmy h TRP 133 Ca -0.01 0.02 -0.02 0.00 2.06 0.00 0.00 58.89 60.95 2gmy h TRP 133 Cb 0.77 -0.27 -0.04 0.00 -1.00 0.00 0.00 29.16 28.61 2gmy h TRP 133 CO 0.14 0.46 0.48 -0.91 -3.56 0.00 0.00 178.44 175.05 2gmy h ASN 134 N 0.87 1.13 -0.51 -3.49 2.35 -0.98 0.75 115.58 115.70 2gmy h ASN 134 Ca 0.30 -0.11 -0.11 0.00 -0.55 0.00 0.00 56.30 55.83 2gmy h ASN 134 Cb 0.07 -0.29 -0.02 0.00 0.05 0.00 0.00 38.32 38.13 2gmy h ASN 134 CO -0.13 0.91 -0.12 0.03 -1.65 0.00 0.00 177.43 176.47 2gmy h ARG 135 N 1.26 1.00 0.15 0.81 3.08 -1.06 -0.10 114.38 119.52 2gmy h ARG 135 Ca 0.31 -0.37 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 2gmy h ARG 135 Cb 0.04 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.03 2gmy h ARG 135 CO -0.05 1.05 -0.07 0.82 -1.07 0.00 0.00 179.97 180.65 2gmy h ILE 136 N 0.89 0.96 -0.07 2.04 2.04 -0.76 -0.56 117.51 122.04 2gmy h ILE 136 Ca 0.14 -0.49 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 2gmy h ILE 136 Cb 0.68 1.26 -0.00 0.00 -0.74 0.00 0.00 36.82 38.02 2gmy h ILE 136 CO 0.05 0.12 0.02 0.00 0.00 0.00 0.00 178.15 178.34 2gmy h ALA 137 N 0.38 0.10 -0.42 1.87 0.00 -0.83 -0.14 119.26 120.22 2gmy h ALA 137 Ca -0.02 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 2gmy h ALA 137 Cb 0.34 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2gmy h ALA 137 CO 0.03 -0.29 -0.06 0.28 0.00 0.00 0.00 179.25 179.21 2gmy h VAL 138 N -0.07 1.27 -0.73 0.00 2.07 -1.11 -0.01 116.25 117.66 2gmy h VAL 138 Ca 0.02 -1.14 0.07 0.00 0.82 0.00 0.00 66.70 66.48 2gmy h VAL 138 Cb 0.21 1.16 -0.05 0.00 -1.52 0.00 0.00 31.29 31.09 2gmy h VAL 138 CO -0.00 0.38 0.48 1.23 0.02 0.00 0.00 177.57 179.68 2gmy h GLY 139 N 0.61 0.96 -1.78 2.17 0.00 -0.94 -2.00 103.07 102.08 2gmy h GLY 139 Ca 0.11 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.14 2gmy h GLY 139 CO 0.03 0.21 0.00 0.69 0.00 0.00 0.00 176.54 177.47 2gmy n PHE 140 N -4.48 0.56 -3.71 5.60 3.72 -0.08 -4.94 117.46 114.13 2gmy n PHE 140 Ca 0.11 -0.41 -0.25 0.00 -0.05 0.00 0.00 57.45 56.85 2gmy n PHE 140 Cb 0.25 -0.01 0.05 0.00 -0.94 0.00 0.00 39.48 38.83 2gmy n PHE 140 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2gmy n ARG 141 N 0.98 -6.42 -1.73 -1.08 5.12 -0.17 -0.86 116.66 112.50 2gmy n ARG 141 Ca 0.16 0.71 -0.42 0.00 -1.93 0.00 0.00 57.85 56.37 2gmy n ARG 141 Cb 0.49 -5.63 -0.01 0.00 -1.16 0.00 0.00 32.46 26.16 2gmy n ARG 141 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 2gmy n SER 142 N -2.97 3.36 -4.43 0.55 7.64 -0.33 -3.89 113.62 113.55 2gmy n SER 142 Ca -0.07 1.20 -0.36 0.00 1.01 0.00 0.00 58.87 60.65 2gmy n SER 142 Cb 0.58 -1.55 -0.13 0.00 -1.01 0.00 0.00 64.21 62.10 2gmy n SER 142 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2gmy s GLN 143 N -1.53 3.60 0.54 1.43 -1.52 -1.26 -4.60 119.66 116.32 2gmy s GLN 143 Ca 0.58 -0.52 -0.15 0.00 -1.95 0.00 0.00 55.36 53.32 2gmy s GLN 143 Cb -0.53 -3.18 -0.07 0.00 -0.22 0.00 0.00 33.01 29.01 2gmy s GLN 143 CO 0.59 -0.11 1.00 -3.38 -0.25 0.00 0.00 175.29 173.14 2gmy s HIS 144 N 1.35 3.49 0.46 0.91 -3.43 -1.26 -5.02 115.29 111.79 2gmy s HIS 144 Ca 0.05 1.42 -0.24 0.00 -0.80 0.00 0.00 55.06 55.49 2gmy s HIS 144 Cb -0.15 -2.78 -0.07 0.00 -1.43 0.00 0.00 32.58 28.16 2gmy s HIS 144 CO 0.02 -0.46 1.30 -2.14 -2.00 0.00 0.00 174.74 171.45 2gmy s PRO 145 N -4.36 3.66 -0.18 -0.38 0.02 -1.26 -5.03 135.00 127.47 2gmy s PRO 145 Ca 0.58 2.11 -0.03 0.00 0.02 0.00 0.00 61.00 63.67 2gmy s PRO 145 Cb -0.10 -2.52 -0.02 0.00 0.02 0.00 0.00 34.50 31.88 2gmy s PRO 145 CO 0.37 -0.73 -0.05 0.08 -0.33 0.00 0.00 177.00 176.34 2gmy s VAL 146 N -1.34 3.58 0.83 3.83 1.01 -1.26 -5.11 120.40 121.95 2gmy s VAL 146 Ca 0.63 -0.45 -0.11 0.00 0.00 0.00 0.00 61.98 62.06 2gmy s VAL 146 Cb -0.37 -2.59 0.10 0.00 0.00 0.00 0.00 36.38 33.52 2gmy s VAL 146 CO 0.46 0.46 1.12 -1.61 0.00 0.00 0.00 175.10 175.53 2gmy s GLU 147 N 0.87 1.70 0.00 2.72 0.41 -1.26 -5.35 118.70 117.78 2gmy s GLU 147 Ca -0.01 1.38 0.24 0.00 -0.41 0.00 0.00 54.97 56.17 2gmy s GLU 147 Cb -0.15 -1.82 1.41 0.00 -1.78 0.00 0.00 34.13 31.80 2gmy s GLU 147 CO 0.01 -2.10 1.78 0.00 -0.49 0.00 0.00 175.26 174.46