#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gwp s ILE 2 N 0.00 5.27 0.13 0.52 1.01 -1.25 -1.43 121.20 125.45 1gwp s ILE 2 Ca 0.00 -0.38 -0.08 0.00 0.00 0.00 0.00 60.65 60.20 1gwp s ILE 2 Cb 0.00 -3.53 -0.01 0.00 0.01 0.00 0.00 42.46 38.93 1gwp s ILE 2 CO 0.00 0.20 0.21 0.68 0.00 0.00 0.00 174.94 176.03 1gwp s VAL 3 N -1.43 0.10 -0.33 2.92 -7.23 -0.31 -4.96 120.40 109.16 1gwp s VAL 3 Ca 0.32 -1.37 -0.10 0.00 -1.81 0.00 0.00 61.98 59.02 1gwp s VAL 3 Cb -0.13 -1.65 0.00 0.00 0.56 0.00 0.00 36.38 35.16 1gwp s VAL 3 CO 0.24 -0.48 0.17 -1.58 -0.31 0.00 0.00 175.10 173.14 1gwp s GLN 4 N -3.93 3.23 1.05 4.82 0.74 -1.26 -1.46 119.66 122.85 1gwp s GLN 4 Ca 0.13 -0.80 -0.23 0.00 0.05 0.00 0.00 55.36 54.51 1gwp s GLN 4 Cb 0.04 -3.61 -0.06 0.00 1.10 0.00 0.00 33.01 30.48 1gwp s GLN 4 CO -0.05 -0.48 -0.82 0.09 -0.55 0.00 0.00 175.29 173.49 1gwp n ASN 5 N 4.99 -2.85 0.16 6.67 3.02 0.73 -4.83 115.26 123.15 1gwp n ASN 5 Ca -0.13 -0.04 -0.13 0.00 -0.03 0.00 0.00 54.58 54.25 1gwp n ASN 5 Cb 0.48 -0.72 -0.08 0.00 -0.61 0.00 0.00 39.78 38.85 1gwp n ASN 5 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1gwp h LEU 6 N -1.47 -0.36 0.39 3.41 4.07 -1.98 -3.30 115.31 116.07 1gwp h LEU 6 Ca -0.46 -0.17 -0.01 0.00 0.08 0.00 0.00 57.88 57.32 1gwp h LEU 6 Cb 1.38 0.09 -0.03 0.00 1.08 0.00 0.00 40.66 43.18 1gwp h LEU 6 CO 0.29 0.02 -0.47 1.56 -1.08 0.00 0.00 178.44 178.75 1gwp h GLN 7 N -0.77 -0.85 0.00 1.13 1.08 -2.05 -3.46 115.11 110.18 1gwp h GLN 7 Ca -0.04 0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 1gwp h GLN 7 Cb 0.51 0.19 0.00 0.00 -0.05 0.00 0.00 27.48 28.13 1gwp h GLN 7 CO 0.07 -0.57 0.00 0.41 -0.95 0.00 0.00 178.83 177.80 1gwp n GLY 8 N -1.50 -1.02 3.15 3.46 0.00 -1.24 -5.17 105.19 102.87 1gwp n GLY 8 Ca -0.10 0.34 -0.11 0.00 0.00 0.00 0.00 46.02 46.14 1gwp n GLY 8 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1gwp s GLN 9 N 0.00 0.26 -0.29 1.61 -1.52 -1.26 -4.94 119.66 113.52 1gwp s GLN 9 Ca 0.00 0.83 -0.29 0.00 -1.95 0.00 0.00 55.36 53.95 1gwp s GLN 9 Cb 0.00 0.08 0.01 0.00 -0.22 0.00 0.00 33.01 32.88 1gwp s GLN 9 CO 0.00 -0.24 1.19 -1.64 -0.25 0.00 0.00 175.29 174.36 1gwp s MET 10 N 2.16 4.02 0.04 2.91 -1.94 -1.26 -0.19 119.30 125.04 1gwp s MET 10 Ca -0.03 1.22 -0.03 0.00 -1.71 0.00 0.00 55.69 55.14 1gwp s MET 10 Cb -0.11 -3.80 -0.02 0.00 2.01 0.00 0.00 34.83 32.91 1gwp s MET 10 CO -0.11 -0.97 0.03 0.14 -0.01 0.00 0.00 175.02 174.10 1gwp s VAL 11 N 3.94 0.15 0.28 -6.03 -7.23 -0.54 -4.89 120.40 106.08 1gwp s VAL 11 Ca 0.51 -1.23 -0.03 0.00 -1.81 0.00 0.00 61.98 59.42 1gwp s VAL 11 Cb -0.15 -0.88 -0.04 0.00 0.56 0.00 0.00 36.38 35.86 1gwp s VAL 11 CO 0.18 -0.68 0.52 -1.38 -0.31 0.00 0.00 175.10 173.43 1gwp s HIS 12 N -2.63 3.48 -0.31 2.82 -3.43 -1.26 -1.17 115.29 112.80 1gwp s HIS 12 Ca -0.05 0.50 0.17 0.00 -0.80 0.00 0.00 55.06 54.88 1gwp s HIS 12 Cb -0.01 -2.00 0.47 0.00 -1.43 0.00 0.00 32.58 29.61 1gwp s HIS 12 CO -0.05 0.20 1.06 1.04 -2.00 0.00 0.00 174.74 174.99 1gwp n GLN 13 N -1.08 1.96 -0.27 -0.38 6.02 -0.51 -4.93 117.38 118.19 1gwp n GLN 13 Ca -0.03 -3.62 0.04 0.00 -0.01 0.00 0.00 57.00 53.37 1gwp n GLN 13 Cb 0.54 -1.64 -0.01 0.00 1.02 0.00 0.00 30.24 30.16 1gwp n GLN 13 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1gwp n ALA 14 N -0.39 -1.29 -1.97 -1.58 0.00 -1.26 -4.46 120.51 109.56 1gwp n ALA 14 Ca 0.17 0.09 -0.10 0.00 0.00 0.00 0.00 53.44 53.59 1gwp n ALA 14 Cb 0.81 -0.39 0.07 0.00 0.00 0.00 0.00 19.45 19.94 1gwp n ALA 14 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1gwp n ILE 15 N -1.36 0.00 -4.34 0.00 3.06 -1.26 0.51 119.36 115.97 1gwp n ILE 15 Ca 0.00 -0.60 -0.24 0.00 -2.50 0.00 0.00 62.75 59.42 1gwp n ILE 15 Cb 0.13 -1.43 -0.13 0.00 0.54 0.00 0.00 39.64 38.75 1gwp n ILE 15 CO 0.00 0.00 0.00 -0.55 -2.50 0.00 0.00 176.55 173.50 1gwp s SER 16 N -3.01 2.48 0.06 9.51 0.15 -1.26 -4.78 113.70 116.85 1gwp s SER 16 Ca 0.32 -0.65 -0.15 0.00 0.70 0.00 0.00 55.95 56.16 1gwp s SER 16 Cb -0.01 -0.15 -0.21 0.00 -1.71 0.00 0.00 66.02 63.94 1gwp s SER 16 CO 0.22 0.07 1.20 1.55 1.20 0.00 0.00 173.24 177.48 1gwp h PRO 17 N 4.23 0.65 -0.47 5.44 0.13 -1.99 -1.85 132.00 138.13 1gwp h PRO 17 Ca -0.45 -0.63 -0.01 0.00 -0.87 0.00 0.00 66.00 64.03 1gwp h PRO 17 Cb 1.18 0.16 -0.02 0.00 0.13 0.00 0.00 31.00 32.45 1gwp h PRO 17 CO 0.40 1.24 0.23 -0.09 -0.23 0.00 0.00 178.00 179.55 1gwp h ARG 18 N 0.30 0.66 0.22 0.86 2.43 -1.98 0.53 114.38 117.41 1gwp h ARG 18 Ca -0.09 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.00 1gwp h ARG 18 Cb 1.49 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.91 1gwp h ARG 18 CO 0.17 0.51 -0.11 1.15 -1.51 0.00 0.00 179.97 180.18 1gwp h THR 19 N 0.66 0.59 -0.74 0.20 2.02 -1.98 -1.62 112.91 112.05 1gwp h THR 19 Ca 0.17 -0.98 0.07 0.00 0.77 0.00 0.00 66.41 66.44 1gwp h THR 19 Cb 0.06 0.99 -0.05 0.00 -1.74 0.00 0.00 68.15 67.42 1gwp h THR 19 CO -0.02 0.15 0.48 -0.07 0.37 0.00 0.00 175.52 176.43 1gwp h LEU 20 N -0.94 0.67 0.88 2.58 3.38 -1.20 0.24 115.31 120.92 1gwp h LEU 20 Ca -0.03 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1gwp h LEU 20 Cb 0.48 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 41.10 1gwp h LEU 20 CO 0.05 0.43 -0.42 -1.13 0.09 0.00 0.00 178.44 177.46 1gwp h ASN 21 N 0.76 -1.00 -0.70 -0.43 -0.73 0.05 0.21 115.58 113.74 1gwp h ASN 21 Ca 0.32 0.03 0.12 0.00 1.87 0.00 0.00 56.30 58.64 1gwp h ASN 21 Cb 0.28 0.26 -0.08 0.00 0.27 0.00 0.00 38.32 39.04 1gwp h ASN 21 CO -0.11 -0.67 0.28 0.00 -0.37 0.00 0.00 177.43 176.55 1gwp h ALA 22 N -1.38 0.95 0.26 1.57 0.00 -0.83 0.53 119.26 120.35 1gwp h ALA 22 Ca -0.12 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1gwp h ALA 22 Cb 0.90 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1gwp h ALA 22 CO 0.20 -0.18 -0.32 2.35 0.00 0.00 0.00 179.25 181.29 1gwp h TRP 23 N 0.45 -0.90 -0.96 0.00 2.91 -0.36 0.48 115.95 117.57 1gwp h TRP 23 Ca 0.37 0.01 0.30 0.00 1.13 0.00 0.00 58.89 60.70 1gwp h TRP 23 Cb 0.50 0.36 -0.16 0.00 -0.51 0.00 0.00 29.16 29.36 1gwp h TRP 23 CO -0.16 -0.41 0.38 0.28 -1.03 0.00 0.00 178.44 177.50 1gwp h VAL 24 N -0.59 0.22 -0.59 2.65 2.07 0.16 1.61 116.25 121.77 1gwp h VAL 24 Ca -0.03 -0.06 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 1gwp h VAL 24 Cb 0.53 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.29 1gwp h VAL 24 CO -0.07 0.03 0.27 0.11 0.02 0.00 0.00 177.57 177.93 1gwp h LYS 25 N 0.19 0.87 0.34 1.57 1.57 0.42 -0.48 116.57 121.04 1gwp h LYS 25 Ca 0.67 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 59.30 1gwp h LYS 25 Cb 1.52 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.69 1gwp h LYS 25 CO -0.69 0.72 -0.16 0.28 -0.57 0.00 0.00 179.45 179.02 1gwp h VAL 26 N 0.81 0.00 -1.00 0.50 2.07 0.69 -1.19 116.25 118.13 1gwp h VAL 26 Ca 0.20 -0.07 0.39 0.00 0.82 0.00 0.00 66.70 68.04 1gwp h VAL 26 Cb 0.15 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 29.75 1gwp h VAL 26 CO -0.02 0.00 0.55 0.58 0.02 0.00 0.00 177.57 178.70 1gwp h VAL 27 N -0.53 0.09 0.23 2.57 2.07 -0.36 2.21 116.25 122.54 1gwp h VAL 27 Ca -0.05 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 1gwp h VAL 27 Cb 0.35 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.10 1gwp h VAL 27 CO 0.08 0.02 -0.11 -0.08 0.02 0.00 0.00 177.57 177.50 1gwp h GLU 28 N 0.10 -0.29 -0.27 1.57 4.57 -0.87 1.42 114.58 120.81 1gwp h GLU 28 Ca 0.81 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 59.01 1gwp h GLU 28 Cb 2.08 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 30.74 1gwp h GLU 28 CO -0.72 -0.17 0.00 0.39 -1.18 0.00 0.00 179.01 177.34 1gwp n GLU 29 N -5.20 1.66 0.00 1.92 4.71 0.30 -4.45 120.64 119.58 1gwp n GLU 29 Ca -0.09 -1.02 0.00 0.00 -0.01 0.00 0.00 57.16 56.04 1gwp n GLU 29 Cb 0.16 -1.24 0.00 0.00 -1.01 0.00 0.00 31.44 29.34 1gwp n GLU 29 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1gwp n LYS 30 N 0.32 0.00 -1.37 3.49 4.76 0.67 -5.02 118.16 121.01 1gwp n LYS 30 Ca 0.10 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.54 1gwp n LYS 30 Cb 0.25 -0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.44 1gwp n LYS 30 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1gwp n ALA 31 N -1.06 -0.28 -3.37 7.82 0.00 0.48 -4.42 120.51 119.67 1gwp n ALA 31 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.26 1gwp n ALA 31 Cb 0.00 -0.41 0.05 0.00 0.00 0.00 0.00 19.45 19.09 1gwp n ALA 31 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1gwp n PHE 32 N -1.11 -2.37 -2.42 0.00 3.01 -1.26 -5.00 117.46 108.30 1gwp n PHE 32 Ca 0.00 0.78 -0.24 0.00 1.01 0.00 0.00 57.45 59.00 1gwp n PHE 32 Cb 0.41 -3.87 0.07 0.00 -0.01 0.00 0.00 39.48 36.08 1gwp n PHE 32 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 1gwp s SER 33 N -3.33 4.81 0.00 4.37 0.01 -1.26 -4.68 113.70 113.62 1gwp s SER 33 Ca 0.38 0.12 0.24 0.00 1.31 0.00 0.00 55.95 57.99 1gwp s SER 33 Cb -0.08 -0.78 1.35 0.00 0.21 0.00 0.00 66.02 66.72 1gwp s SER 33 CO 0.78 -1.53 1.78 -0.81 0.41 0.00 0.00 173.24 173.87 1gwp n PRO 34 N -2.73 0.63 -0.09 12.44 -0.04 -1.26 -2.22 135.00 141.73 1gwp n PRO 34 Ca 0.10 0.02 0.10 0.00 -0.04 0.00 0.00 63.50 63.67 1gwp n PRO 34 Cb 0.60 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.71 1gwp n PRO 34 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1gwp n GLU 35 N -1.08 1.40 -0.00 0.54 1.02 -1.26 -4.51 120.64 116.75 1gwp n GLU 35 Ca 0.16 -2.58 0.06 0.00 -0.02 0.00 0.00 57.16 54.78 1gwp n GLU 35 Cb 0.11 -1.51 -0.09 0.00 -0.02 0.00 0.00 31.44 29.93 1gwp n GLU 35 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1gwp n VAL 36 N -1.37 0.00 -0.11 2.62 0.31 -0.94 -4.04 118.33 114.80 1gwp n VAL 36 Ca 0.16 -0.26 -0.12 0.00 -0.01 0.00 0.00 64.34 64.11 1gwp n VAL 36 Cb 0.65 0.51 -0.03 0.00 -0.91 0.00 0.00 33.84 34.06 1gwp n VAL 36 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1gwp h ILE 37 N 0.00 1.29 -0.03 2.52 1.08 -1.79 -0.65 117.51 119.93 1gwp h ILE 37 Ca 0.00 -1.38 -0.21 0.00 -0.39 0.00 0.00 64.86 62.89 1gwp h ILE 37 Cb 0.46 1.43 -0.00 0.00 -3.07 0.00 0.00 36.82 35.63 1gwp h ILE 37 CO 0.00 0.45 -0.85 1.55 -0.69 0.00 0.00 178.15 178.61 1gwp h PRO 38 N 0.54 0.38 -0.40 2.37 0.13 -1.86 -1.72 132.00 131.44 1gwp h PRO 38 Ca 0.07 -0.37 -0.10 0.00 -0.87 0.00 0.00 66.00 64.73 1gwp h PRO 38 Cb 0.79 0.10 -0.02 0.00 0.13 0.00 0.00 31.00 32.00 1gwp h PRO 38 CO 0.06 1.03 -0.17 1.98 -0.23 0.00 0.00 178.00 180.68 1gwp h MET 39 N 0.23 0.74 -0.04 0.86 4.05 -1.68 -0.78 114.93 118.31 1gwp h MET 39 Ca -0.06 -0.27 -0.13 0.00 -0.28 0.00 0.00 59.70 58.97 1gwp h MET 39 Cb 1.47 -0.05 0.01 0.00 -0.80 0.00 0.00 31.60 32.23 1gwp h MET 39 CO 0.14 0.86 -0.47 0.35 0.23 0.00 0.00 176.91 178.02 1gwp h PHE 40 N 0.66 0.56 -0.77 1.39 3.57 -1.11 0.37 116.94 121.61 1gwp h PHE 40 Ca 0.10 -0.27 -0.00 0.00 3.53 0.00 0.00 57.97 61.33 1gwp h PHE 40 Cb 0.65 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.28 1gwp h PHE 40 CO 0.03 1.06 0.48 1.03 -2.23 0.00 0.00 178.31 178.68 1gwp h SER 41 N -0.11 0.92 -0.02 0.41 0.87 -1.26 0.67 113.55 115.03 1gwp h SER 41 Ca -0.05 -0.05 -0.25 0.00 -1.23 0.00 0.00 61.79 60.22 1gwp h SER 41 Cb 1.16 -0.23 0.02 0.00 -0.44 0.00 0.00 62.40 62.91 1gwp h SER 41 CO 0.10 0.70 -0.95 0.00 -0.53 0.00 0.00 176.83 176.14 1gwp h ALA 42 N 1.46 0.21 -0.36 6.23 0.00 -1.15 -1.65 119.26 123.99 1gwp h ALA 42 Ca 0.28 -0.67 0.01 0.00 0.00 0.00 0.00 54.91 54.53 1gwp h ALA 42 Cb -0.06 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1gwp h ALA 42 CO -0.05 0.70 0.24 -0.07 0.00 0.00 0.00 179.25 180.06 1gwp h LEU 43 N 0.43 0.40 0.00 0.00 3.38 -0.22 -3.29 115.31 116.01 1gwp h LEU 43 Ca -0.10 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1gwp h LEU 43 Cb 1.60 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.25 1gwp h LEU 43 CO 0.19 0.29 0.00 -1.54 0.09 0.00 0.00 178.44 177.47 1gwp n SER 44 N -4.48 0.00 0.00 -0.43 3.41 0.16 -4.89 113.62 107.39 1gwp n SER 44 Ca 0.03 0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 1gwp n SER 44 Cb 0.08 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 1gwp n SER 44 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1gwp n GLU 45 N -0.69 0.00 0.00 4.33 0.00 -0.63 -3.50 120.64 120.15 1gwp n GLU 45 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1gwp n GLU 45 Cb 0.00 -1.63 0.00 0.00 0.00 0.00 0.00 31.44 29.81 1gwp n GLU 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1gwp n GLY 46 N -1.96 0.00 3.77 8.31 0.00 -1.26 -4.70 105.19 109.34 1gwp n GLY 46 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1gwp n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gwp s ALA 47 N 0.00 3.52 0.94 4.61 0.00 -1.23 -3.75 121.76 125.85 1gwp s ALA 47 Ca 0.00 1.32 -0.11 0.00 0.00 0.00 0.00 51.96 53.17 1gwp s ALA 47 Cb 0.00 -3.51 0.17 0.00 0.00 0.00 0.00 23.12 19.78 1gwp s ALA 47 CO 0.00 -0.73 0.39 2.41 0.00 0.00 0.00 175.76 177.83 1gwp n THR 48 N 0.83 0.00 0.06 0.00 -1.04 -1.26 -4.43 114.28 108.43 1gwp n THR 48 Ca 0.01 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.90 1gwp n THR 48 Cb 0.41 -0.44 -0.01 0.00 -1.82 0.00 0.00 70.33 68.47 1gwp n THR 48 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1gwp h PRO 49 N 0.00 0.39 0.01 -2.82 0.13 -1.93 -1.51 132.00 126.26 1gwp h PRO 49 Ca -0.18 -0.37 -0.20 0.00 -0.87 0.00 0.00 66.00 64.38 1gwp h PRO 49 Cb 0.60 0.10 -0.01 0.00 0.13 0.00 0.00 31.00 31.81 1gwp h PRO 49 CO 0.11 1.04 -0.89 0.37 -0.23 0.00 0.00 178.00 178.39 1gwp h GLN 50 N 0.24 0.20 0.29 0.86 5.75 -1.95 -0.86 115.11 119.64 1gwp h GLN 50 Ca -0.06 -0.23 -0.01 0.00 -0.15 0.00 0.00 58.65 58.20 1gwp h GLN 50 Cb 1.46 0.07 0.00 0.00 1.07 0.00 0.00 27.48 30.08 1gwp h GLN 50 CO 0.15 0.97 -0.14 0.22 -2.65 0.00 0.00 178.83 177.37 1gwp h ASP 51 N 0.11 -0.33 -0.33 -0.69 1.82 -1.87 -0.14 116.42 114.99 1gwp h ASP 51 Ca -0.05 -0.20 0.02 0.00 -0.39 0.00 0.00 57.03 56.41 1gwp h ASP 51 Cb 1.53 0.09 -0.03 0.00 0.68 0.00 0.00 39.33 41.60 1gwp h ASP 51 CO 0.14 0.11 0.17 -0.07 -1.61 0.00 0.00 179.24 177.98 1gwp h LEU 52 N -0.89 0.25 -0.83 2.28 3.38 -1.36 -0.48 115.31 117.66 1gwp h LEU 52 Ca -0.04 0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.03 1gwp h LEU 52 Cb 0.52 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.16 1gwp h LEU 52 CO 0.07 0.19 0.49 -1.13 0.09 0.00 0.00 178.44 178.14 1gwp h ASN 53 N 0.35 0.72 -0.52 -0.43 -0.73 -1.19 0.05 115.58 113.83 1gwp h ASN 53 Ca 0.13 0.04 0.00 0.00 1.87 0.00 0.00 56.30 58.34 1gwp h ASN 53 Cb 0.04 -0.11 -0.03 0.00 0.27 0.00 0.00 38.32 38.50 1gwp h ASN 53 CO -0.09 0.43 0.34 0.74 -0.37 0.00 0.00 177.43 178.48 1gwp h THR 54 N 0.84 1.14 -0.47 -3.57 2.02 -0.00 0.29 112.91 113.16 1gwp h THR 54 Ca 0.39 -0.27 -0.03 0.00 0.77 0.00 0.00 66.41 67.27 1gwp h THR 54 Cb 0.30 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 1gwp h THR 54 CO -0.22 0.14 0.18 -0.03 0.37 0.00 0.00 175.52 175.95 1gwp h MET 55 N 0.71 0.67 -0.21 6.66 4.05 0.21 0.23 114.93 127.25 1gwp h MET 55 Ca 0.19 -0.10 -0.06 0.00 -0.28 0.00 0.00 59.70 59.45 1gwp h MET 55 Cb -0.06 -0.12 -0.00 0.00 -0.80 0.00 0.00 31.60 30.61 1gwp h MET 55 CO -0.04 0.56 -0.12 -0.07 0.23 0.00 0.00 176.91 177.47 1gwp h LEU 56 N 0.67 0.46 -1.30 3.39 3.38 -0.31 -2.22 115.31 119.37 1gwp h LEU 56 Ca 0.16 -0.43 -0.06 0.00 0.09 0.00 0.00 57.88 57.64 1gwp h LEU 56 Cb 0.15 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1gwp h LEU 56 CO -0.01 0.79 -0.19 -1.13 0.09 0.00 0.00 178.44 177.98 1gwp h ASN 57 N 0.14 0.22 -0.61 -0.43 -1.24 -0.50 -2.27 115.58 110.88 1gwp h ASN 57 Ca 0.04 -0.05 -0.05 0.00 0.71 0.00 0.00 56.30 56.95 1gwp h ASN 57 Cb 0.62 -0.06 -0.03 0.00 0.73 0.00 0.00 38.32 39.58 1gwp h ASN 57 CO 0.03 0.43 0.19 0.74 -1.29 0.00 0.00 177.43 177.53 1gwp h THR 58 N 0.21 1.24 -1.66 -3.57 2.02 -0.30 -3.44 112.91 107.41 1gwp h THR 58 Ca 0.04 -0.85 -0.49 0.00 0.77 0.00 0.00 66.41 65.88 1gwp h THR 58 Cb 0.47 0.55 0.25 0.00 -1.74 0.00 0.00 68.15 67.68 1gwp h THR 58 CO 0.03 0.33 -2.02 0.55 0.37 0.00 0.00 175.52 174.78 1gwp n VAL 59 N -4.27 0.00 -0.32 3.16 3.14 -0.86 -4.73 118.33 114.46 1gwp n VAL 59 Ca 0.05 -0.17 0.09 0.00 -2.96 0.00 0.00 64.34 61.36 1gwp n VAL 59 Cb 0.22 -0.21 0.21 0.00 -1.06 0.00 0.00 33.84 33.00 1gwp n VAL 59 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 1gwp h GLY 60 N -1.34 0.98 0.00 7.55 0.00 -1.86 -3.46 103.07 104.95 1gwp h GLY 60 Ca -0.44 0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.08 1gwp h GLY 60 CO 0.27 -0.41 0.00 0.61 0.00 0.00 0.00 176.54 177.01 1gwp n GLY 61 N -1.51 0.70 3.72 4.60 0.00 -1.26 -5.09 105.19 106.34 1gwp n GLY 61 Ca 0.18 -0.41 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 1gwp n GLY 61 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1gwp s HIS 62 N -1.26 3.51 0.26 1.61 3.76 -1.26 -4.96 115.29 116.95 1gwp s HIS 62 Ca 0.00 0.91 0.01 0.00 -0.15 0.00 0.00 55.06 55.83 1gwp s HIS 62 Cb 0.00 -2.57 0.34 0.00 1.11 0.00 0.00 32.58 31.46 1gwp s HIS 62 CO 0.00 0.16 1.68 0.37 -0.85 0.00 0.00 174.74 176.09 1gwp h GLN 63 N 6.74 0.51 0.01 1.40 4.15 -1.98 0.17 115.11 126.11 1gwp h GLN 63 Ca -0.41 -0.21 -0.00 0.00 0.77 0.00 0.00 58.65 58.80 1gwp h GLN 63 Cb 1.18 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.85 1gwp h GLN 63 CO 0.76 0.76 -0.01 0.00 -1.93 0.00 0.00 178.83 178.40 1gwp h ALA 64 N 1.24 -0.02 0.36 3.38 0.00 -1.98 0.38 119.26 122.62 1gwp h ALA 64 Ca 0.06 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1gwp h ALA 64 Cb 0.74 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1gwp h ALA 64 CO 0.06 -0.30 -0.17 0.00 0.00 0.00 0.00 179.25 178.83 1gwp h ALA 65 N 0.54 -0.49 -0.80 0.00 0.00 -1.95 -1.14 119.26 115.41 1gwp h ALA 65 Ca -0.00 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.83 1gwp h ALA 65 Cb 0.42 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 1gwp h ALA 65 CO 0.00 -0.76 0.53 0.52 0.00 0.00 0.00 179.25 179.54 1gwp h MET 66 N -0.52 0.94 0.14 0.00 2.07 -0.70 -1.08 114.93 115.77 1gwp h MET 66 Ca -0.05 -0.06 0.00 0.00 -2.07 0.00 0.00 59.70 57.52 1gwp h MET 66 Cb 0.39 -0.21 -0.01 0.00 -1.87 0.00 0.00 31.60 29.90 1gwp h MET 66 CO 0.08 0.62 -0.11 0.37 1.07 0.00 0.00 176.91 178.94 1gwp h GLN 67 N 0.96 -0.25 -0.89 1.72 5.75 0.17 0.39 115.11 122.96 1gwp h GLN 67 Ca 0.32 0.02 0.01 0.00 -0.15 0.00 0.00 58.65 58.85 1gwp h GLN 67 Cb 0.07 0.06 -0.05 0.00 1.07 0.00 0.00 27.48 28.64 1gwp h GLN 67 CO -0.10 -0.17 0.59 0.52 -2.65 0.00 0.00 178.83 177.03 1gwp h MET 68 N -0.26 1.17 -0.26 1.69 2.86 -0.71 -0.80 114.93 118.62 1gwp h MET 68 Ca -0.00 -0.07 -0.08 0.00 -2.06 0.00 0.00 59.70 57.49 1gwp h MET 68 Cb 0.24 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 1gwp h MET 68 CO -0.01 0.77 -0.17 1.25 1.06 0.00 0.00 176.91 179.81 1gwp h LEU 69 N 1.21 0.45 -0.07 1.22 6.46 -0.81 0.10 115.31 123.87 1gwp h LEU 69 Ca 0.33 -0.13 -0.00 0.00 -0.12 0.00 0.00 57.88 57.96 1gwp h LEU 69 Cb -0.13 -0.12 -0.00 0.00 -0.73 0.00 0.00 40.66 39.68 1gwp h LEU 69 CO -0.08 0.65 0.03 0.11 -0.62 0.00 0.00 178.44 178.53 1gwp h LYS 70 N 0.42 0.11 -0.56 1.25 1.57 0.95 0.16 116.57 120.47 1gwp h LYS 70 Ca 0.07 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 1gwp h LYS 70 Cb 0.55 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.82 1gwp h LYS 70 CO 0.04 0.25 0.24 0.93 -0.57 0.00 0.00 179.45 180.34 1gwp h GLU 71 N -0.05 0.82 0.97 3.15 5.08 -0.92 -1.02 114.58 122.60 1gwp h GLU 71 Ca 0.02 -0.14 -0.05 0.00 -1.00 0.00 0.00 59.36 58.20 1gwp h GLU 71 Cb 0.18 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.30 1gwp h GLU 71 CO -0.00 0.69 -0.49 1.15 -1.00 0.00 0.00 179.01 179.37 1gwp h THR 72 N 0.76 0.00 -0.55 1.13 2.02 -0.79 0.18 112.91 115.66 1gwp h THR 72 Ca 0.19 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.48 1gwp h THR 72 Cb 0.16 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.46 1gwp h THR 72 CO -0.02 0.00 -0.22 0.40 0.37 0.00 0.00 175.52 176.05 1gwp h ILE 73 N -1.32 0.33 -0.32 3.11 1.08 -0.64 1.10 117.51 120.84 1gwp h ILE 73 Ca -0.13 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.40 1gwp h ILE 73 Cb 1.02 0.33 -0.02 0.00 -3.07 0.00 0.00 36.82 35.08 1gwp h ILE 73 CO 0.20 0.00 0.22 -1.13 -0.69 0.00 0.00 178.15 176.75 1gwp h ASN 74 N -0.08 0.14 0.40 1.72 -1.24 -1.01 -1.44 115.58 114.06 1gwp h ASN 74 Ca 0.25 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.24 1gwp h ASN 74 Cb 0.48 -0.03 0.00 0.00 0.73 0.00 0.00 38.32 39.50 1gwp h ASN 74 CO -0.61 0.09 -0.19 -0.08 -1.29 0.00 0.00 177.43 175.35 1gwp h GLU 75 N 0.16 -0.52 -0.90 6.67 4.81 0.43 -0.11 114.58 125.12 1gwp h GLU 75 Ca 0.14 0.04 0.24 0.00 -0.13 0.00 0.00 59.36 59.65 1gwp h GLU 75 Cb 0.37 0.12 -0.14 0.00 0.63 0.00 0.00 28.75 29.73 1gwp h GLU 75 CO -0.02 -0.35 0.34 0.93 -0.73 0.00 0.00 179.01 179.18 1gwp h GLU 76 N -0.65 0.29 -0.16 1.92 4.39 -0.75 0.43 114.58 120.04 1gwp h GLU 76 Ca -0.06 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.63 1gwp h GLU 76 Cb 0.41 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 1gwp h GLU 76 CO 0.09 0.19 0.10 0.00 -1.16 0.00 0.00 179.01 178.24 1gwp h ALA 77 N 1.76 0.20 -0.43 3.43 0.00 -1.22 0.14 119.26 123.14 1gwp h ALA 77 Ca 0.58 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.55 1gwp h ALA 77 Cb 1.16 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.82 1gwp h ALA 77 CO -0.60 -0.32 0.01 0.00 0.00 0.00 0.00 179.25 178.35 1gwp h ALA 78 N 1.06 0.41 -0.65 0.00 0.00 0.17 0.13 119.26 120.38 1gwp h ALA 78 Ca 0.06 0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.10 1gwp h ALA 78 Cb -0.02 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1gwp h ALA 78 CO -0.01 -0.38 0.43 1.49 0.00 0.00 0.00 179.25 180.78 1gwp h GLU 79 N 0.12 0.82 -0.82 0.00 4.81 -0.53 -0.29 114.58 118.69 1gwp h GLU 79 Ca 0.21 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.37 1gwp h GLU 79 Cb 0.31 -0.19 -0.04 0.00 0.63 0.00 0.00 28.75 29.46 1gwp h GLU 79 CO -0.35 0.54 0.41 2.35 -0.73 0.00 0.00 179.01 181.24 1gwp h TRP 80 N 0.85 1.17 -0.15 0.92 2.91 0.12 0.59 115.95 122.36 1gwp h TRP 80 Ca 0.25 -0.05 -0.01 0.00 1.13 0.00 0.00 58.89 60.21 1gwp h TRP 80 Cb -0.05 -0.37 -0.01 0.00 -0.51 0.00 0.00 29.16 28.23 1gwp h TRP 80 CO -0.00 0.84 0.07 0.22 -1.03 0.00 0.00 178.44 178.53 1gwp h ASP 81 N 1.16 0.20 -0.31 2.65 1.82 0.60 0.42 116.42 122.96 1gwp h ASP 81 Ca 0.29 -0.14 0.02 0.00 -0.39 0.00 0.00 57.03 56.80 1gwp h ASP 81 Cb 0.09 -0.05 -0.02 0.00 0.68 0.00 0.00 39.33 40.03 1gwp h ASP 81 CO -0.04 0.29 0.20 -0.09 -1.61 0.00 0.00 179.24 177.99 1gwp h ARG 82 N 0.11 0.34 0.00 0.28 2.43 -0.68 -3.31 114.38 113.55 1gwp h ARG 82 Ca 0.05 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1gwp h ARG 82 Cb 0.14 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 1gwp h ARG 82 CO -0.01 0.22 0.00 1.28 -1.51 0.00 0.00 179.97 179.96 1gwp n LEU 83 N -4.49 2.55 -4.62 3.80 4.77 0.16 -4.76 117.00 114.40 1gwp n LEU 83 Ca 0.02 0.01 -0.43 0.00 -0.03 0.00 0.00 56.01 55.58 1gwp n LEU 83 Cb 0.12 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.19 1gwp n LEU 83 CO 0.35 0.00 1.15 -1.00 -1.33 0.00 0.00 177.39 176.56 1gwp s HIS 84 N -0.02 2.63 0.51 -1.77 3.76 0.14 -5.00 115.29 115.54 1gwp s HIS 84 Ca 0.00 0.83 -0.19 0.00 -0.15 0.00 0.00 55.06 55.55 1gwp s HIS 84 Cb 0.00 -3.99 -0.07 0.00 1.11 0.00 0.00 32.58 29.63 1gwp s HIS 84 CO 0.00 -1.77 1.04 -1.25 -0.85 0.00 0.00 174.74 171.92 1gwp s PRO 85 N 4.31 3.70 -0.23 8.40 0.04 -1.26 -4.36 135.00 145.60 1gwp s PRO 85 Ca 0.57 1.31 -0.05 0.00 0.04 0.00 0.00 61.00 62.87 1gwp s PRO 85 Cb -0.16 -2.08 0.12 0.00 0.04 0.00 0.00 34.50 32.42 1gwp s PRO 85 CO 0.25 -0.51 0.43 0.08 0.04 0.00 0.00 177.00 177.29 1gwp s VAL 86 N -2.10 -0.69 -0.39 -0.36 1.01 -1.26 -5.01 120.40 111.60 1gwp s VAL 86 Ca 0.66 0.05 0.11 0.00 0.00 0.00 0.00 61.98 62.81 1gwp s VAL 86 Cb -0.16 -0.77 0.39 0.00 0.00 0.00 0.00 36.38 35.84 1gwp s VAL 86 CO 0.24 -0.01 1.14 1.57 0.00 0.00 0.00 175.10 178.04 1gwp n HIS 87 N 5.39 -1.28 -3.39 5.22 -0.00 -1.26 -5.04 115.22 114.85 1gwp n HIS 87 Ca -0.06 -2.40 -0.26 0.00 0.46 0.00 0.00 57.72 55.46 1gwp n HIS 87 Cb 0.50 0.86 0.03 0.00 -0.12 0.00 0.00 29.99 31.25 1gwp n HIS 87 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1gwp n ALA 88 N -0.19 -2.21 -2.44 1.57 0.00 -1.26 -5.00 120.51 110.99 1gwp n ALA 88 Ca 0.05 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1gwp n ALA 88 Cb 0.79 -1.67 0.00 0.00 0.00 0.00 0.00 19.45 18.57 1gwp n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gwp n GLY 89 N 0.31 3.34 3.79 0.00 0.00 -1.26 -5.10 105.19 106.28 1gwp n GLY 89 Ca -0.06 -1.71 -0.35 0.00 0.00 0.00 0.00 46.02 43.91 1gwp n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1gwp s PRO 90 N 4.73 3.88 -0.13 1.61 0.04 -1.26 -5.05 135.00 138.82 1gwp s PRO 90 Ca 0.00 1.39 -0.33 0.00 0.04 0.00 0.00 61.00 62.11 1gwp s PRO 90 Cb 0.00 -2.19 0.13 0.00 0.04 0.00 0.00 34.50 32.48 1gwp s PRO 90 CO 0.00 -0.37 1.10 -1.50 0.04 0.00 0.00 177.00 176.27 1gwp s ILE 91 N -1.91 0.00 0.52 0.56 2.07 -1.26 -5.06 121.20 116.12 1gwp s ILE 91 Ca 0.65 0.00 -0.17 0.00 -1.41 0.00 0.00 60.65 59.73 1gwp s ILE 91 Cb -0.17 -1.00 -0.08 0.00 0.13 0.00 0.00 42.46 41.34 1gwp s ILE 91 CO 0.21 0.00 0.99 0.00 -1.91 0.00 0.00 174.94 174.23 1gwp s ALA 92 N -2.58 3.04 -1.10 1.50 0.00 -1.26 -4.94 121.76 116.41 1gwp s ALA 92 Ca 0.08 0.21 -0.22 0.00 0.00 0.00 0.00 51.96 52.02 1gwp s ALA 92 Cb -0.01 -3.13 -0.00 0.00 0.00 0.00 0.00 23.12 19.98 1gwp s ALA 92 CO -0.06 -0.27 1.76 -1.25 0.00 0.00 0.00 175.76 175.95 1gwp s PRO 93 N -4.04 3.16 0.00 0.00 0.04 -1.26 -1.88 135.00 131.03 1gwp s PRO 93 Ca 0.59 -1.14 0.00 0.00 0.04 0.00 0.00 61.00 60.49 1gwp s PRO 93 Cb -0.10 -5.30 0.00 0.00 0.04 0.00 0.00 34.50 29.13 1gwp s PRO 93 CO 0.31 -2.95 0.00 0.41 0.04 0.00 0.00 177.00 174.81 1gwp n GLY 94 N 6.25 0.14 3.83 0.56 0.00 -1.26 -5.13 105.19 109.58 1gwp n GLY 94 Ca 0.42 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.10 1gwp n GLY 94 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1gwp s GLN 95 N 0.00 4.14 0.90 1.61 -1.52 -0.79 -5.04 119.66 118.97 1gwp s GLN 95 Ca 0.00 0.86 -0.11 0.00 -1.95 0.00 0.00 55.36 54.15 1gwp s GLN 95 Cb 0.00 -2.49 0.11 0.00 -0.22 0.00 0.00 33.01 30.41 1gwp s GLN 95 CO 0.00 0.17 0.98 0.00 -0.25 0.00 0.00 175.29 176.19 1gwp n MET 96 N -0.15 -0.30 -0.75 2.91 0.00 -1.26 -4.84 117.12 112.72 1gwp n MET 96 Ca 0.03 -0.02 -0.30 0.00 0.00 0.00 0.00 57.70 57.41 1gwp n MET 96 Cb 0.53 -2.26 0.27 0.00 0.00 0.00 0.00 33.22 31.75 1gwp n MET 96 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 175.97 173.84 1gwp n ARG 97 N -3.47 -3.78 -3.55 3.17 0.63 -1.26 -4.95 116.66 103.46 1gwp n ARG 97 Ca 0.11 -1.65 -0.27 0.00 -0.92 0.00 0.00 57.85 55.12 1gwp n ARG 97 Cb 0.52 -1.73 -0.09 0.00 0.45 0.00 0.00 32.46 31.60 1gwp n ARG 97 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 1gwp n GLU 98 N -5.20 1.89 0.00 -0.14 4.07 -1.26 -5.09 120.64 114.91 1gwp n GLU 98 Ca 0.15 -4.31 0.00 0.00 -0.06 0.00 0.00 57.16 52.93 1gwp n GLU 98 Cb 0.59 -2.09 0.00 0.00 -0.06 0.00 0.00 31.44 29.88 1gwp n GLU 98 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 1gwp n PRO 99 N 1.44 -0.08 0.00 5.31 -0.04 -1.26 -4.72 135.00 135.65 1gwp n PRO 99 Ca 0.26 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.72 1gwp n PRO 99 Cb 0.41 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.87 1gwp n PRO 99 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1gwp n ARG 100 N -0.90 0.00 -0.08 0.54 1.74 -1.26 -4.91 116.66 111.79 1gwp n ARG 100 Ca 0.00 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.92 1gwp n ARG 100 Cb 0.00 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.38 1gwp n ARG 100 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1gwp n GLY 101 N 4.38 -0.25 0.62 -0.13 0.00 -1.26 -4.42 105.19 104.12 1gwp n GLY 101 Ca 0.00 -0.08 0.42 0.00 0.00 0.00 0.00 46.02 46.36 1gwp n GLY 101 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1gwp h SER 102 N -0.53 0.00 -0.05 1.61 0.02 -1.96 1.81 113.55 114.44 1gwp h SER 102 Ca -0.39 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.52 1gwp h SER 102 Cb 1.35 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.89 1gwp h SER 102 CO -0.23 0.00 -0.11 -0.78 -1.14 0.00 0.00 176.83 174.57 1gwp h ASP 103 N 0.00 0.18 0.00 3.07 3.58 -1.95 -2.68 116.42 118.62 1gwp h ASP 103 Ca 0.72 -0.58 0.00 0.00 0.42 0.00 0.00 57.03 57.59 1gwp h ASP 103 Cb 3.19 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 44.19 1gwp h ASP 103 CO -0.01 0.72 0.01 0.40 -2.88 0.00 0.00 179.24 177.49 1gwp h ILE 104 N -0.36 0.00 0.00 2.25 2.04 0.25 0.68 117.51 122.38 1gwp h ILE 104 Ca 0.00 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 1gwp h ILE 104 Cb 0.70 0.63 -0.00 0.00 -0.74 0.00 0.00 36.82 37.40 1gwp h ILE 104 CO 0.02 0.00 -0.59 0.00 0.00 0.00 0.00 178.15 177.59 1gwp h ALA 105 N 1.97 0.73 -0.60 1.87 0.00 -0.96 -3.45 119.26 118.82 1gwp h ALA 105 Ca 0.00 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 1gwp h ALA 105 Cb 0.02 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1gwp h ALA 105 CO 0.00 0.13 -0.13 0.41 0.00 0.00 0.00 179.25 179.66 1gwp n GLY 106 N 1.17 0.37 0.09 0.00 0.00 0.24 -4.92 105.19 102.14 1gwp n GLY 106 Ca 0.01 -0.71 -0.12 0.00 0.00 0.00 0.00 46.02 45.20 1gwp n GLY 106 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1gwp n THR 107 N -3.60 1.66 -0.01 2.61 -1.04 -1.11 -4.27 114.28 108.52 1gwp n THR 107 Ca -0.06 -0.76 0.08 0.00 -2.04 0.00 0.00 64.05 61.26 1gwp n THR 107 Cb 0.42 -1.21 -0.12 0.00 -1.82 0.00 0.00 70.33 67.60 1gwp n THR 107 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 1gwp n THR 108 N -3.15 0.00 -4.33 12.58 5.66 -1.25 -4.99 114.28 118.80 1gwp n THR 108 Ca -0.20 -0.35 -0.23 0.00 -3.05 0.00 0.00 64.05 60.21 1gwp n THR 108 Cb 1.05 0.14 -0.08 0.00 -1.55 0.00 0.00 70.33 69.90 1gwp n THR 108 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1gwp s SER 109 N -3.79 4.30 0.65 1.09 1.04 -1.26 -5.07 113.70 110.66 1gwp s SER 109 Ca -0.06 -0.78 0.04 0.00 0.48 0.00 0.00 55.95 55.64 1gwp s SER 109 Cb 0.10 -0.68 0.11 0.00 0.10 0.00 0.00 66.02 65.65 1gwp s SER 109 CO 0.65 -0.04 0.90 0.42 0.98 0.00 0.00 173.24 176.15 1gwp s THR 110 N -2.40 2.13 0.12 2.02 -4.23 -1.26 -4.55 115.64 107.46 1gwp s THR 110 Ca 0.32 -0.80 -0.20 0.00 -1.18 0.00 0.00 61.69 59.83 1gwp s THR 110 Cb -0.05 -2.33 -0.08 0.00 1.34 0.00 0.00 72.50 71.38 1gwp s THR 110 CO 0.19 0.00 1.77 0.25 -0.54 0.00 0.00 174.62 176.28 1gwp h LEU 111 N -0.19 0.16 -0.55 4.79 5.85 -1.99 -0.66 115.31 122.72 1gwp h LEU 111 Ca -0.33 -0.00 0.09 0.00 0.84 0.00 0.00 57.88 58.48 1gwp h LEU 111 Cb 1.28 -0.03 -0.07 0.00 0.37 0.00 0.00 40.66 42.20 1gwp h LEU 111 CO 0.40 0.12 0.16 -0.61 -0.34 0.00 0.00 178.44 178.16 1gwp h GLN 112 N 0.20 0.30 -0.98 1.25 4.15 -1.99 -0.07 115.11 117.97 1gwp h GLN 112 Ca 0.06 -0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.48 1gwp h GLN 112 Cb -0.01 -0.07 -0.05 0.00 0.21 0.00 0.00 27.48 27.56 1gwp h GLN 112 CO -0.03 0.20 0.65 0.93 -1.93 0.00 0.00 178.83 178.66 1gwp h GLU 113 N 0.31 1.28 0.13 1.69 4.39 -1.82 -0.12 114.58 120.45 1gwp h GLU 113 Ca 0.28 -0.08 0.01 0.00 0.34 0.00 0.00 59.36 59.90 1gwp h GLU 113 Cb 0.36 -0.29 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 1gwp h GLU 113 CO -0.32 0.85 -0.14 0.37 -1.16 0.00 0.00 179.01 178.61 1gwp h GLN 114 N 1.32 -0.29 -0.04 2.33 5.75 0.49 -0.97 115.11 123.70 1gwp h GLN 114 Ca 0.37 0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.87 1gwp h GLN 114 Cb -0.13 0.07 -0.00 0.00 1.07 0.00 0.00 27.48 28.48 1gwp h GLN 114 CO -0.08 -0.20 -0.03 0.82 -2.65 0.00 0.00 178.83 176.69 1gwp h ILE 115 N -0.30 1.05 0.63 2.39 5.03 -0.82 -1.38 117.51 124.11 1gwp h ILE 115 Ca 0.01 -0.23 -0.03 0.00 -0.12 0.00 0.00 64.86 64.49 1gwp h ILE 115 Cb 0.30 1.06 0.01 0.00 -3.03 0.00 0.00 36.82 35.15 1gwp h ILE 115 CO -0.05 0.07 -0.30 1.23 -0.68 0.00 0.00 178.15 178.42 1gwp h GLY 116 N 0.24 -0.88 0.76 5.37 0.00 0.19 1.34 103.07 110.09 1gwp h GLY 116 Ca 0.01 0.33 0.05 0.00 0.00 0.00 0.00 47.33 47.72 1gwp h GLY 116 CO 0.00 -0.32 0.44 1.49 0.00 0.00 0.00 176.54 178.15 1gwp h TRP 117 N -0.91 0.81 0.00 5.60 6.55 -0.90 0.34 115.95 127.45 1gwp h TRP 117 Ca -0.09 0.03 0.00 0.00 0.95 0.00 0.00 58.89 59.78 1gwp h TRP 117 Cb 0.67 -0.26 0.00 0.00 -0.86 0.00 0.00 29.16 28.71 1gwp h TRP 117 CO -0.02 0.42 0.00 -0.12 -1.05 0.00 0.00 178.44 177.67 1gwp n MET 118 N -4.70 0.16 -0.56 0.49 1.56 -0.55 0.14 117.12 113.66 1gwp n MET 118 Ca 0.09 0.30 0.07 0.00 -0.27 0.00 0.00 57.70 57.89 1gwp n MET 118 Cb 0.14 -1.76 0.28 0.00 2.15 0.00 0.00 33.22 34.04 1gwp n MET 118 CO 0.00 0.00 0.00 2.41 -0.73 0.00 0.00 175.97 177.65 1gwp n THR 119 N -2.05 2.41 -3.22 1.12 -1.04 0.46 -4.33 114.28 107.62 1gwp n THR 119 Ca 0.04 -1.85 -0.19 0.00 -2.04 0.00 0.00 64.05 60.01 1gwp n THR 119 Cb 0.28 -0.27 0.01 0.00 -1.82 0.00 0.00 70.33 68.53 1gwp n THR 119 CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 1gwp s HIS 120 N -2.86 2.46 -0.25 -1.42 5.04 -0.04 -4.94 115.29 113.28 1gwp s HIS 120 Ca 0.45 -0.51 0.02 0.00 -1.54 0.00 0.00 55.06 53.48 1gwp s HIS 120 Cb 0.36 -2.26 0.06 0.00 0.04 0.00 0.00 32.58 30.77 1gwp s HIS 120 CO 0.10 -0.47 -0.11 -0.80 -2.34 0.00 0.00 174.74 171.12 1gwp s ASN 121 N -4.34 4.24 0.72 9.88 -0.87 -1.26 0.18 114.94 123.50 1gwp s ASN 121 Ca 0.53 -1.30 -0.11 0.00 -1.57 0.00 0.00 52.86 50.41 1gwp s ASN 121 Cb -0.07 -1.48 0.03 0.00 -0.02 0.00 0.00 41.25 39.71 1gwp s ASN 121 CO 0.32 -0.18 1.07 -2.16 -2.57 0.00 0.00 177.10 173.58 1gwp s PRO 122 N 1.16 2.69 -0.19 -0.60 0.04 -1.26 -5.09 135.00 131.76 1gwp s PRO 122 Ca -0.07 0.87 -0.29 0.00 0.04 0.00 0.00 61.00 61.54 1gwp s PRO 122 Cb -0.19 -1.97 -0.01 0.00 0.04 0.00 0.00 34.50 32.37 1gwp s PRO 122 CO -0.06 -1.25 1.28 -1.25 0.04 0.00 0.00 177.00 175.76 1gwp s PRO 123 N -5.07 4.17 -0.00 0.56 0.04 0.49 -4.94 135.00 130.25 1gwp s PRO 123 Ca 0.59 1.61 -0.30 0.00 0.04 0.00 0.00 61.00 62.94 1gwp s PRO 123 Cb -0.14 -3.79 -0.07 0.00 0.04 0.00 0.00 34.50 30.54 1gwp s PRO 123 CO 0.55 -0.79 1.67 0.42 0.04 0.00 0.00 177.00 178.89 1gwp s ILE 124 N 3.68 3.37 0.00 0.56 1.09 0.12 -4.84 121.20 125.17 1gwp s ILE 124 Ca 0.56 0.59 -0.03 0.00 -1.10 0.00 0.00 60.65 60.67 1gwp s ILE 124 Cb -0.21 -3.38 -0.15 0.00 -1.06 0.00 0.00 42.46 37.65 1gwp s ILE 124 CO 0.16 -0.03 2.53 -0.81 -0.10 0.00 0.00 174.94 176.69 1gwp n PRO 125 N 6.59 1.32 -0.20 2.79 -0.04 -1.26 -3.66 135.00 140.54 1gwp n PRO 125 Ca 0.17 -0.57 0.18 0.00 -0.04 0.00 0.00 63.50 63.24 1gwp n PRO 125 Cb 0.42 -1.69 0.52 0.00 -0.04 0.00 0.00 33.50 32.71 1gwp n PRO 125 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 1gwp h VAL 126 N 2.00 0.73 0.27 0.52 3.04 -1.92 0.38 116.25 121.26 1gwp h VAL 126 Ca 0.11 -0.13 -0.01 0.00 -1.01 0.00 0.00 66.70 65.65 1gwp h VAL 126 Cb 1.05 0.31 0.00 0.00 -2.01 0.00 0.00 31.29 30.65 1gwp h VAL 126 CO 0.22 0.07 -0.13 1.23 -1.01 0.00 0.00 177.57 177.95 1gwp h GLY 127 N 0.38 -0.38 0.44 3.17 0.00 -1.87 0.13 103.07 104.95 1gwp h GLY 127 Ca 0.41 0.14 0.18 0.00 0.00 0.00 0.00 47.33 48.07 1gwp h GLY 127 CO -0.14 -0.14 0.56 0.83 0.00 0.00 0.00 176.54 177.66 1gwp h GLU 128 N -0.47 0.39 0.53 4.80 5.08 -1.74 0.33 114.58 123.50 1gwp h GLU 128 Ca -0.04 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 1gwp h GLU 128 Cb 0.28 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.45 1gwp h GLU 128 CO 0.06 0.26 -0.25 0.82 -1.00 0.00 0.00 179.01 178.89 1gwp h ILE 129 N 0.40 0.38 -0.94 3.13 2.04 -0.21 -0.91 117.51 121.39 1gwp h ILE 129 Ca 0.43 -0.36 0.07 0.00 1.00 0.00 0.00 64.86 66.01 1gwp h ILE 129 Cb 1.06 0.50 -0.06 0.00 -0.74 0.00 0.00 36.82 37.58 1gwp h ILE 129 CO -0.15 0.05 0.61 0.22 0.00 0.00 0.00 178.15 178.88 1gwp h TYR 130 N -0.96 1.09 -0.48 1.37 3.20 0.45 -0.18 116.97 121.47 1gwp h TYR 130 Ca -0.07 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.83 1gwp h TYR 130 Cb 0.62 -0.36 -0.02 0.00 1.54 0.00 0.00 36.73 38.51 1gwp h TYR 130 CO 0.00 0.56 0.31 -0.22 -1.64 0.00 0.00 178.16 177.17 1gwp h LYS 131 N 1.06 0.63 -0.54 1.82 3.64 -0.28 0.40 116.57 123.30 1gwp h LYS 131 Ca 0.41 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.70 1gwp h LYS 131 Cb 0.22 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 1gwp h LYS 131 CO -0.16 0.42 0.12 -0.09 -2.27 0.00 0.00 179.45 177.47 1gwp h ARG 132 N 0.64 0.83 0.42 1.90 9.65 -0.03 0.50 114.38 128.29 1gwp h ARG 132 Ca 0.17 -0.17 -0.02 0.00 -1.10 0.00 0.00 59.98 58.86 1gwp h ARG 132 Cb -0.07 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 28.39 1gwp h ARG 132 CO -0.04 0.75 -0.20 -1.49 2.80 0.00 0.00 179.97 181.79 1gwp h TRP 133 N 0.80 -0.52 -0.87 2.20 4.06 -0.26 0.47 115.95 121.83 1gwp h TRP 133 Ca 0.17 -0.01 0.23 0.00 2.06 0.00 0.00 58.89 61.34 1gwp h TRP 133 Cb 0.30 0.17 -0.15 0.00 -1.00 0.00 0.00 29.16 28.49 1gwp h TRP 133 CO 0.02 -0.32 0.12 0.82 -3.56 0.00 0.00 178.44 175.51 1gwp h ILE 134 N -0.77 0.25 -0.31 1.49 2.04 -0.19 1.78 117.51 121.80 1gwp h ILE 134 Ca -0.06 -0.04 -0.08 0.00 1.00 0.00 0.00 64.86 65.68 1gwp h ILE 134 Cb 0.43 0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 1gwp h ILE 134 CO 0.09 0.02 -0.15 0.40 0.00 0.00 0.00 178.15 178.51 1gwp h ILE 135 N 0.13 1.24 -0.44 -0.67 5.03 -0.84 -1.09 117.51 120.86 1gwp h ILE 135 Ca 0.53 -1.10 0.06 0.00 -0.12 0.00 0.00 64.86 64.22 1gwp h ILE 135 Cb 1.04 1.18 -0.05 0.00 -3.03 0.00 0.00 36.82 35.95 1gwp h ILE 135 CO -0.73 0.36 0.15 0.25 -0.68 0.00 0.00 178.15 177.50 1gwp h LEU 136 N 0.49 0.14 0.06 1.44 6.46 0.76 0.21 115.31 124.88 1gwp h LEU 136 Ca 0.09 0.06 -0.00 0.00 -0.12 0.00 0.00 57.88 57.90 1gwp h LEU 136 Cb 0.55 0.05 0.00 0.00 -0.73 0.00 0.00 40.66 40.53 1gwp h LEU 136 CO 0.04 0.11 -0.03 1.23 -0.62 0.00 0.00 178.44 179.17 1gwp h GLY 137 N 0.31 -0.09 -0.10 3.75 0.00 -0.79 -0.99 103.07 105.16 1gwp h GLY 137 Ca 0.21 0.03 0.16 0.00 0.00 0.00 0.00 47.33 47.73 1gwp h GLY 137 CO -0.23 -0.03 0.14 1.41 0.00 0.00 0.00 176.54 177.83 1gwp h LEU 138 N -0.50 -0.06 -0.33 3.11 3.38 -0.88 0.53 115.31 120.56 1gwp h LEU 138 Ca -0.01 0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 1gwp h LEU 138 Cb 0.44 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1gwp h LEU 138 CO 0.01 -0.06 0.12 -1.13 0.09 0.00 0.00 178.44 177.47 1gwp h ASN 139 N 0.23 0.48 -0.78 -0.43 -1.24 -0.53 0.33 115.58 113.64 1gwp h ASN 139 Ca 0.40 -0.19 0.09 0.00 0.71 0.00 0.00 56.30 57.32 1gwp h ASN 139 Cb 0.69 -0.12 -0.05 0.00 0.73 0.00 0.00 38.32 39.56 1gwp h ASN 139 CO -0.53 0.54 0.51 0.50 -1.29 0.00 0.00 177.43 177.16 1gwp h LYS 140 N 0.39 0.70 -0.06 6.67 1.63 0.77 0.35 116.57 127.02 1gwp h LYS 140 Ca 0.11 -0.04 -0.10 0.00 -0.85 0.00 0.00 60.65 59.77 1gwp h LYS 140 Cb 0.23 -0.16 0.01 0.00 -0.60 0.00 0.00 32.23 31.70 1gwp h LYS 140 CO -0.01 0.46 -0.35 0.82 -3.45 0.00 0.00 179.45 176.93 1gwp h ILE 141 N 0.72 1.43 -0.53 2.00 2.04 0.55 -2.87 117.51 120.84 1gwp h ILE 141 Ca 0.36 -1.78 0.07 0.00 1.00 0.00 0.00 64.86 64.50 1gwp h ILE 141 Cb 0.43 2.37 -0.03 0.00 -0.74 0.00 0.00 36.82 38.85 1gwp h ILE 141 CO -0.13 0.51 0.36 0.58 0.00 0.00 0.00 178.15 179.46 1gwp h VAL 142 N -0.16 0.96 -0.06 1.67 2.07 0.81 1.05 116.25 122.60 1gwp h VAL 142 Ca -0.03 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 1gwp h VAL 142 Cb 1.01 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1gwp h VAL 142 CO 0.07 0.08 0.03 0.03 0.02 0.00 0.00 177.57 177.80 1gwp h ARG 143 N 0.45 0.10 0.00 1.57 2.47 -0.27 0.21 114.38 118.91 1gwp h ARG 143 Ca 0.23 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.94 1gwp h ARG 143 Cb 0.34 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.64 1gwp h ARG 143 CO -0.06 0.22 0.00 1.98 0.56 0.00 0.00 179.97 182.67 1gwp h MET 144 N -0.05 0.00 -1.02 0.04 4.05 -1.05 -3.24 114.93 113.65 1gwp h MET 144 Ca 0.02 0.00 -0.58 0.00 -0.28 0.00 0.00 59.70 58.87 1gwp h MET 144 Cb 0.16 0.00 -0.41 0.00 -0.80 0.00 0.00 31.60 30.55 1gwp h MET 144 CO -0.00 0.00 -0.63 0.98 0.23 0.00 0.00 176.91 177.49 1gwp n TYR 145 N -2.81 2.98 -3.15 1.39 4.19 0.35 -5.01 117.16 115.10 1gwp n TYR 145 Ca 0.04 -2.53 -0.42 0.00 3.31 0.00 0.00 57.90 58.30 1gwp n TYR 145 Cb 0.47 -0.37 -0.07 0.00 0.49 0.00 0.00 39.34 39.86 1gwp n TYR 145 CO 0.00 0.00 0.00 -1.54 0.91 0.00 0.00 176.86 176.23 1gwp s SER 146 N -3.39 6.34 -0.03 2.98 1.04 0.71 -4.75 113.70 116.61 1gwp s SER 146 Ca 0.51 -0.15 -0.30 0.00 0.48 0.00 0.00 55.95 56.49 1gwp s SER 146 Cb 0.41 -2.31 -0.04 0.00 0.10 0.00 0.00 66.02 64.19 1gwp s SER 146 CO -0.04 -0.65 1.21 -2.16 0.98 0.00 0.00 173.24 172.58 1gwp s PRO 147 N 2.67 4.37 0.60 4.02 0.04 -1.26 -4.98 135.00 140.45 1gwp s PRO 147 Ca 0.22 1.71 -0.18 0.00 0.04 0.00 0.00 61.00 62.79 1gwp s PRO 147 Cb -0.15 -3.51 -0.05 0.00 0.04 0.00 0.00 34.50 30.83 1gwp s PRO 147 CO 0.16 -0.41 0.85 2.41 0.04 0.00 0.00 177.00 180.06 1gwp n THR 148 N 4.46 3.42 -1.47 1.26 -1.04 -1.26 -4.68 114.28 114.96 1gwp n THR 148 Ca 0.11 -0.50 0.14 0.00 -2.04 0.00 0.00 64.05 61.75 1gwp n THR 148 Cb 0.46 -1.03 -0.08 0.00 -1.82 0.00 0.00 70.33 67.87 1gwp n THR 148 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1gwp n SER 149 N -0.54 -7.97 -3.75 8.00 2.88 -1.26 -4.97 113.62 106.01 1gwp n SER 149 Ca 0.13 1.56 -0.16 0.00 -1.33 0.00 0.00 58.87 59.08 1gwp n SER 149 Cb 0.48 -5.01 -0.16 0.00 -0.75 0.00 0.00 64.21 58.77 1gwp n SER 149 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1gwp s ILE 150 N -4.56 -0.08 -1.36 2.46 1.09 -1.26 -5.15 121.20 112.35 1gwp s ILE 150 Ca 0.00 0.26 0.00 0.00 -1.10 0.00 0.00 60.65 59.81 1gwp s ILE 150 Cb 0.00 -0.12 0.00 0.00 -1.06 0.00 0.00 42.46 41.28 1gwp s ILE 150 CO 0.00 0.11 0.34 -0.11 -0.10 0.00 0.00 174.94 175.18