#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 2.92 0.17 0.52 1.01 -1.26 -1.38 121.20 123.18 1gwp s ILE 2 Ca 0.00 -0.91 -0.11 0.00 0.00 0.00 0.00 60.65 59.64 1gwp s ILE 2 Cb 0.00 -2.17 -0.00 0.00 0.01 0.00 0.00 42.46 40.30 1gwp s ILE 2 CO 0.00 0.50 0.33 0.68 0.00 0.00 0.00 174.94 176.45 1gwp s VAL 3 N -0.80 0.06 -0.04 2.92 -7.23 -0.58 -5.00 120.40 109.73 1gwp s VAL 3 Ca 0.13 -1.28 -0.15 0.00 -1.81 0.00 0.00 61.98 58.87 1gwp s VAL 3 Cb -0.11 -1.80 -0.05 0.00 0.56 0.00 0.00 36.38 34.98 1gwp s VAL 3 CO 0.02 -0.26 0.39 0.00 -0.31 0.00 0.00 175.10 174.95 1gwp s GLN 4 N -3.95 3.99 0.09 4.82 0.00 -1.26 -1.20 119.66 122.15 1gwp s GLN 4 Ca 0.16 0.35 0.02 0.00 -0.00 0.00 0.00 55.36 55.89 1gwp s GLN 4 Cb 0.02 -3.27 -0.04 0.00 0.00 0.00 0.00 33.01 29.72 1gwp s GLN 4 CO -0.00 0.57 0.19 0.54 0.00 0.00 0.00 175.29 176.58 1gwp s ASN 5 N -0.66 6.08 0.37 12.60 2.20 -0.47 -4.97 114.94 130.10 1gwp s ASN 5 Ca 0.23 0.15 0.14 0.00 -0.94 0.00 0.00 52.86 52.43 1gwp s ASN 5 Cb -0.16 -1.79 0.97 0.00 -2.00 0.00 0.00 41.25 38.27 1gwp s ASN 5 CO 0.11 0.14 1.80 0.25 -2.94 0.00 0.00 177.10 176.46 1gwp h LEU 6 N 2.87 0.56 -0.91 3.54 7.12 -1.98 -0.24 115.31 126.27 1gwp h LEU 6 Ca -0.46 0.08 0.24 0.00 0.13 0.00 0.00 57.88 57.86 1gwp h LEU 6 Cb 1.17 -0.02 -0.17 0.00 -0.53 0.00 0.00 40.66 41.11 1gwp h LEU 6 CO 0.71 0.18 -0.01 0.00 -0.13 0.00 0.00 178.44 179.18 1gwp n GLN 7 N -4.64 -0.07 0.00 1.25 3.00 -1.26 -4.76 117.38 110.89 1gwp n GLN 7 Ca 0.23 1.37 0.00 0.00 -0.01 0.00 0.00 57.00 58.58 1gwp n GLN 7 Cb 0.72 -2.15 0.00 0.00 0.00 0.00 0.00 30.24 28.80 1gwp n GLN 7 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1gwp n GLY 8 N -1.47 0.92 3.58 1.08 0.00 -0.10 -5.16 105.19 104.04 1gwp n GLY 8 Ca 0.20 -0.09 -0.06 0.00 0.00 0.00 0.00 46.02 46.07 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 0.02 0.42 -0.19 1.61 -0.21 -1.23 -5.02 119.66 115.06 1gwp s GLN 9 Ca 0.00 -0.06 -0.18 0.00 0.02 0.00 0.00 55.36 55.15 1gwp s GLN 9 Cb 0.00 0.20 -0.03 0.00 1.00 0.00 0.00 33.01 34.17 1gwp s GLN 9 CO 0.00 -0.16 0.48 1.41 -2.12 0.00 0.00 175.29 174.90 1gwp s MET 10 N -1.95 4.20 0.09 2.91 -2.45 -1.26 -1.37 119.30 119.46 1gwp s MET 10 Ca 0.06 0.36 0.02 0.00 -1.25 0.00 0.00 55.69 54.88 1gwp s MET 10 Cb -0.01 -3.54 -0.04 0.00 1.25 0.00 0.00 34.83 32.49 1gwp s MET 10 CO -0.04 -0.09 -0.08 0.14 1.05 0.00 0.00 175.02 176.00 1gwp s VAL 11 N 1.46 0.72 0.33 10.11 -7.23 -0.34 -4.98 120.40 120.47 1gwp s VAL 11 Ca 0.23 -1.67 -0.06 0.00 -1.81 0.00 0.00 61.98 58.67 1gwp s VAL 11 Cb -0.15 -1.36 -0.05 0.00 0.56 0.00 0.00 36.38 35.38 1gwp s VAL 11 CO 0.09 -0.69 0.61 -1.38 -0.31 0.00 0.00 175.10 173.43 1gwp s HIS 12 N -2.83 3.48 -0.32 2.82 -3.43 -1.26 -1.53 115.29 112.23 1gwp s HIS 12 Ca 0.05 0.71 0.15 0.00 -0.80 0.00 0.00 55.06 55.17 1gwp s HIS 12 Cb -0.00 -2.17 0.47 0.00 -1.43 0.00 0.00 32.58 29.45 1gwp s HIS 12 CO -0.02 0.08 1.09 0.00 -2.00 0.00 0.00 174.74 173.88 1gwp n GLN 13 N -1.19 2.33 -0.28 -0.38 10.64 -0.48 -4.95 117.38 123.07 1gwp n GLN 13 Ca -0.01 -3.78 0.04 0.00 -1.83 0.00 0.00 57.00 51.42 1gwp n GLN 13 Cb 0.54 -1.79 -0.01 0.00 -0.86 0.00 0.00 30.24 28.13 1gwp n GLN 13 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1gwp n ALA 14 N -0.46 -1.30 -1.42 2.61 0.00 -1.26 -4.53 120.51 114.14 1gwp n ALA 14 Ca 0.22 0.09 -0.09 0.00 0.00 0.00 0.00 53.44 53.66 1gwp n ALA 14 Cb 0.82 -0.40 0.08 0.00 0.00 0.00 0.00 19.45 19.95 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 -1.40 0.00 -4.66 0.00 3.06 -1.26 -0.80 119.36 114.30 1gwp n ILE 15 Ca 0.00 -0.40 -0.29 0.00 -2.50 0.00 0.00 62.75 59.56 1gwp n ILE 15 Cb 0.13 -1.77 -0.14 0.00 0.54 0.00 0.00 39.64 38.40 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 -2.91 3.13 0.01 9.51 0.15 -1.26 -4.78 113.70 117.54 1gwp s SER 16 Ca 0.30 -0.65 -0.20 0.00 0.70 0.00 0.00 55.95 56.10 1gwp s SER 16 Cb -0.01 -0.25 -0.22 0.00 -1.71 0.00 0.00 66.02 63.84 1gwp s SER 16 CO 0.21 0.21 1.14 1.55 1.20 0.00 0.00 173.24 177.55 1gwp h PRO 17 N 4.42 0.43 -0.16 5.44 0.13 -1.98 -1.71 132.00 138.56 1gwp h PRO 17 Ca -0.48 -0.41 -0.04 0.00 -0.87 0.00 0.00 66.00 64.20 1gwp h PRO 17 Cb 1.16 0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 1gwp h PRO 17 CO 0.42 1.07 -0.06 0.00 -0.23 0.00 0.00 178.00 179.19 1gwp h ARG 18 N -0.06 0.24 0.05 0.86 3.08 -1.98 0.24 114.38 116.81 1gwp h ARG 18 Ca -0.06 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 59.95 1gwp h ARG 18 Cb 1.23 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.24 1gwp h ARG 18 CO 0.11 0.32 -0.02 1.15 -1.07 0.00 0.00 179.97 180.46 1gwp h THR 19 N 0.24 1.32 -0.92 2.04 2.02 -1.98 -1.49 112.91 114.14 1gwp h THR 19 Ca 0.05 -1.44 0.01 0.00 0.77 0.00 0.00 66.41 65.80 1gwp h THR 19 Cb 0.27 2.24 -0.05 0.00 -1.74 0.00 0.00 68.15 68.87 1gwp h THR 19 CO 0.01 0.35 0.61 -0.07 0.37 0.00 0.00 175.52 176.79 1gwp h LEU 20 N -0.73 1.06 0.89 2.58 3.38 -1.10 0.24 115.31 121.64 1gwp h LEU 20 Ca -0.01 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 1gwp h LEU 20 Cb 0.62 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 41.11 1gwp h LEU 20 CO 0.01 0.77 -0.44 -1.13 0.09 0.00 0.00 178.44 177.75 1gwp h ASN 21 N 1.25 -1.04 -0.65 -0.43 -1.24 -0.56 0.27 115.58 113.18 1gwp h ASN 21 Ca 0.34 0.04 0.11 0.00 0.71 0.00 0.00 56.30 57.50 1gwp h ASN 21 Cb -0.14 0.27 -0.08 0.00 0.73 0.00 0.00 38.32 39.10 1gwp h ASN 21 CO -0.07 -0.73 0.22 0.00 -1.29 0.00 0.00 177.43 175.55 1gwp h ALA 22 N -1.10 0.85 0.36 1.57 0.00 -1.01 -0.54 119.26 119.39 1gwp h ALA 22 Ca -0.12 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1gwp h ALA 22 Cb 0.93 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 1gwp h ALA 22 CO 0.20 -0.23 -0.47 2.35 0.00 0.00 0.00 179.25 181.10 1gwp h TRP 23 N 0.38 -1.31 -0.93 0.00 2.91 -0.23 0.59 115.95 117.35 1gwp h TRP 23 Ca 0.34 0.02 0.27 0.00 1.13 0.00 0.00 58.89 60.65 1gwp h TRP 23 Cb 0.48 0.53 -0.15 0.00 -0.51 0.00 0.00 29.16 29.50 1gwp h TRP 23 CO -0.19 -0.61 0.27 0.28 -1.03 0.00 0.00 178.44 177.16 1gwp h VAL 24 N -0.87 0.22 -0.53 2.65 2.07 0.64 1.70 116.25 122.13 1gwp h VAL 24 Ca -0.03 -0.06 -0.11 0.00 0.82 0.00 0.00 66.70 67.33 1gwp h VAL 24 Cb 0.80 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 1gwp h VAL 24 CO -0.13 0.03 -0.08 0.11 0.02 0.00 0.00 177.57 177.52 1gwp h LYS 25 N 0.16 0.98 0.33 1.57 1.79 0.40 0.44 116.57 122.23 1gwp h LYS 25 Ca 0.62 -0.34 -0.02 0.00 -2.18 0.00 0.00 60.65 58.73 1gwp h LYS 25 Cb 1.33 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.91 1gwp h LYS 25 CO -0.71 1.01 -0.16 0.28 -1.08 0.00 0.00 179.45 178.79 1gwp h VAL 26 N 0.88 0.00 -0.99 0.50 2.07 0.77 0.10 116.25 119.58 1gwp h VAL 26 Ca 0.14 -0.04 0.14 0.00 0.82 0.00 0.00 66.70 67.77 1gwp h VAL 26 Cb 0.63 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.31 1gwp h VAL 26 CO 0.04 0.00 0.62 0.58 0.02 0.00 0.00 177.57 178.83 1gwp h VAL 27 N -0.48 0.86 -0.63 2.57 2.07 -0.23 0.42 116.25 120.82 1gwp h VAL 27 Ca -0.05 -0.31 0.04 0.00 0.82 0.00 0.00 66.70 67.20 1gwp h VAL 27 Cb 0.34 -0.12 -0.04 0.00 -1.52 0.00 0.00 31.29 29.95 1gwp h VAL 27 CO 0.07 0.16 0.42 -0.08 0.02 0.00 0.00 177.57 178.17 1gwp h GLU 28 N 0.90 0.72 0.02 1.57 4.81 0.01 1.74 114.58 124.34 1gwp h GLU 28 Ca 0.51 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.70 1gwp h GLU 28 Cb 0.62 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.84 1gwp h GLU 28 CO -0.28 0.47 -0.01 0.93 -0.73 0.00 0.00 179.01 179.39 1gwp h GLU 29 N 0.74 -0.02 0.00 1.92 5.08 0.22 -3.43 114.58 119.09 1gwp h GLU 29 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1gwp h GLU 29 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1gwp h GLU 29 CO -0.07 0.68 0.00 1.63 -1.00 0.00 0.00 179.01 180.25 1gwp n LYS 30 N -4.69 0.00 -0.97 2.33 5.02 0.11 -5.09 118.16 114.86 1gwp n LYS 30 Ca -0.08 0.18 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 1gwp n LYS 30 Cb 0.34 -0.63 0.00 0.00 -0.02 0.00 0.00 35.03 34.72 1gwp n LYS 30 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1gwp n ALA 31 N -2.09 -1.95 -2.79 7.82 0.00 0.59 -4.88 120.51 117.20 1gwp n ALA 31 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1gwp n ALA 31 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.10 -3.55 -3.97 0.00 3.01 -1.26 -5.07 117.46 106.53 1gwp n PHE 32 Ca 0.00 1.55 -0.11 0.00 1.01 0.00 0.00 57.45 59.91 1gwp n PHE 32 Cb 0.00 -3.70 -0.03 0.00 -0.01 0.00 0.00 39.48 35.74 1gwp n PHE 32 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1gwp s SER 33 N -1.68 0.26 0.00 4.37 0.15 -1.26 -4.96 113.70 110.59 1gwp s SER 33 Ca 0.03 -1.15 0.24 0.00 0.70 0.00 0.00 55.95 55.78 1gwp s SER 33 Cb -0.01 0.69 1.40 0.00 -1.71 0.00 0.00 66.02 66.39 1gwp s SER 33 CO 0.71 -1.35 1.79 -0.81 1.20 0.00 0.00 173.24 174.78 1gwp n PRO 34 N -0.49 0.70 -0.00 5.44 -0.04 -1.26 -1.77 135.00 137.58 1gwp n PRO 34 Ca -0.03 0.01 0.10 0.00 -0.04 0.00 0.00 63.50 63.54 1gwp n PRO 34 Cb 0.61 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.45 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 -1.03 0.37 -0.01 0.54 1.02 -1.26 -4.25 120.64 116.01 1gwp n GLU 35 Ca 0.17 -0.02 0.04 0.00 -0.02 0.00 0.00 57.16 57.33 1gwp n GLU 35 Cb 0.09 -1.46 -0.09 0.00 -0.02 0.00 0.00 31.44 29.96 1gwp n GLU 35 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 1gwp n VAL 36 N -1.57 0.12 -0.25 2.62 3.14 -0.87 -4.06 118.33 117.46 1gwp n VAL 36 Ca 0.03 -0.31 -0.06 0.00 -2.96 0.00 0.00 64.34 61.04 1gwp n VAL 36 Cb 0.34 0.08 0.05 0.00 -1.06 0.00 0.00 33.84 33.25 1gwp n VAL 36 CO 0.00 0.00 0.00 0.40 -6.46 0.00 0.00 176.83 170.77 1gwp h ILE 37 N 0.00 1.23 -0.03 1.55 2.04 -1.52 0.34 117.51 121.11 1gwp h ILE 37 Ca -0.05 -0.63 -0.22 0.00 1.00 0.00 0.00 64.86 64.97 1gwp h ILE 37 Cb 0.73 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 1gwp h ILE 37 CO 0.00 0.26 -0.87 1.55 0.00 0.00 0.00 178.15 179.09 1gwp h PRO 38 N 0.95 0.45 -0.20 2.37 0.13 -1.78 -1.82 132.00 132.09 1gwp h PRO 38 Ca 0.24 -0.44 -0.11 0.00 -0.87 0.00 0.00 66.00 64.82 1gwp h PRO 38 Cb 0.11 0.11 -0.01 0.00 0.13 0.00 0.00 31.00 31.34 1gwp h PRO 38 CO -0.03 1.09 -0.35 0.52 -0.23 0.00 0.00 178.00 179.00 1gwp h MET 39 N 0.28 0.43 -0.03 0.86 2.86 -1.63 -1.40 114.93 116.30 1gwp h MET 39 Ca -0.07 -0.19 -0.12 0.00 -2.06 0.00 0.00 59.70 57.26 1gwp h MET 39 Cb 1.49 -0.01 0.01 0.00 0.06 0.00 0.00 31.60 33.15 1gwp h MET 39 CO 0.15 0.73 -0.43 0.35 1.06 0.00 0.00 176.91 178.77 1gwp h PHE 40 N 0.37 0.50 -0.91 -0.22 3.57 -0.31 0.13 116.94 120.07 1gwp h PHE 40 Ca 0.04 -0.25 0.01 0.00 3.53 0.00 0.00 57.97 61.30 1gwp h PHE 40 Cb 0.79 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.42 1gwp h PHE 40 CO 0.02 1.03 0.59 0.77 -2.23 0.00 0.00 178.31 178.50 1gwp h SER 41 N -0.17 1.06 0.65 0.41 0.02 -1.29 -0.92 113.55 113.30 1gwp h SER 41 Ca -0.05 -0.04 -0.19 0.00 -0.84 0.00 0.00 61.79 60.68 1gwp h SER 41 Cb 1.13 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.39 1gwp h SER 41 CO 0.09 0.78 -0.85 0.00 -1.14 0.00 0.00 176.83 175.70 1gwp h ALA 42 N 1.32 0.57 -0.56 3.77 0.00 -1.29 -1.47 119.26 121.60 1gwp h ALA 42 Ca 0.33 -0.72 0.03 0.00 0.00 0.00 0.00 54.91 54.55 1gwp h ALA 42 Cb -0.12 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 1gwp h ALA 42 CO -0.07 0.94 0.33 -0.07 0.00 0.00 0.00 179.25 180.39 1gwp h LEU 43 N 0.08 0.53 0.00 0.00 3.38 0.22 -3.35 115.31 116.17 1gwp h LEU 43 Ca -0.03 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1gwp h LEU 43 Cb 1.48 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.13 1gwp h LEU 43 CO 0.12 0.37 0.00 -0.24 0.09 0.00 0.00 178.44 178.79 1gwp n SER 44 N -4.78 0.00 0.00 -0.43 2.88 -0.44 -4.91 113.62 105.94 1gwp n SER 44 Ca 0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 1gwp n SER 44 Cb 0.09 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.55 1gwp n SER 44 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1gwp n GLU 45 N -0.49 0.00 0.00 -1.46 2.13 -0.56 -3.99 120.64 116.27 1gwp n GLU 45 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1gwp n GLU 45 Cb 0.00 -0.99 0.00 0.00 0.27 0.00 0.00 31.44 30.72 1gwp n GLU 45 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1gwp n GLY 46 N -2.00 0.00 3.75 8.31 0.00 -1.26 -4.55 105.19 109.44 1gwp n GLY 46 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 1.97 1.03 4.61 0.00 -1.26 -4.34 121.76 123.77 1gwp s ALA 47 Ca 0.00 0.06 -0.07 0.00 0.00 0.00 0.00 51.96 51.94 1gwp s ALA 47 Cb 0.00 -3.21 0.10 0.00 0.00 0.00 0.00 23.12 20.01 1gwp s ALA 47 CO 0.00 -1.99 0.51 0.25 0.00 0.00 0.00 175.76 174.54 1gwp n THR 48 N -3.65 0.00 0.02 0.00 -2.24 -1.26 -4.63 114.28 102.52 1gwp n THR 48 Ca 0.08 -0.34 -0.19 0.00 -2.27 0.00 0.00 64.05 61.32 1gwp n THR 48 Cb 0.54 -1.61 -0.09 0.00 -2.10 0.00 0.00 70.33 67.07 1gwp n THR 48 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1gwp h PRO 49 N 0.00 0.74 -0.07 -0.78 0.13 -1.94 -1.57 132.00 128.52 1gwp h PRO 49 Ca -0.17 -0.73 -0.11 0.00 -0.87 0.00 0.00 66.00 64.12 1gwp h PRO 49 Cb 0.49 0.19 -0.01 0.00 0.13 0.00 0.00 31.00 31.79 1gwp h PRO 49 CO 0.12 1.31 -0.46 1.96 -0.23 0.00 0.00 178.00 180.70 1gwp h GLN 50 N 0.45 0.16 0.42 0.86 4.20 -1.95 0.25 115.11 119.49 1gwp h GLN 50 Ca -0.10 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.50 1gwp h GLN 50 Cb 1.60 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.39 1gwp h GLN 50 CO 0.19 0.59 -0.20 -0.44 -0.67 0.00 0.00 178.83 178.30 1gwp h ASP 51 N 0.13 -0.48 -0.71 1.46 3.32 -1.92 -0.47 116.42 117.76 1gwp h ASP 51 Ca 0.01 0.02 0.06 0.00 0.02 0.00 0.00 57.03 57.14 1gwp h ASP 51 Cb 0.87 0.12 -0.06 0.00 0.22 0.00 0.00 39.33 40.49 1gwp h ASP 51 CO 0.07 -0.05 0.40 -0.07 -1.72 0.00 0.00 179.24 177.87 1gwp h LEU 52 N -1.14 0.60 -0.68 1.55 3.38 -1.32 0.13 115.31 117.83 1gwp h LEU 52 Ca -0.06 0.03 0.04 0.00 0.09 0.00 0.00 57.88 57.98 1gwp h LEU 52 Cb 0.43 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 1gwp h LEU 52 CO 0.09 0.38 0.41 -1.13 0.09 0.00 0.00 178.44 178.29 1gwp h ASN 53 N 0.73 0.66 0.38 -0.43 -0.73 -0.57 -0.15 115.58 115.48 1gwp h ASN 53 Ca 0.32 0.01 -0.02 0.00 1.87 0.00 0.00 56.30 58.48 1gwp h ASN 53 Cb 0.20 -0.13 0.00 0.00 0.27 0.00 0.00 38.32 38.66 1gwp h ASN 53 CO -0.19 0.45 -0.18 0.74 -0.37 0.00 0.00 177.43 177.88 1gwp h THR 54 N 0.80 0.63 -0.87 -3.57 2.02 0.41 -0.28 112.91 112.04 1gwp h THR 54 Ca 0.28 -0.18 0.19 0.00 0.77 0.00 0.00 66.41 67.47 1gwp h THR 54 Cb 0.06 0.72 -0.06 0.00 -1.74 0.00 0.00 68.15 67.13 1gwp h THR 54 CO -0.13 0.04 0.58 0.24 0.37 0.00 0.00 175.52 176.62 1gwp h MET 55 N -0.61 0.41 -0.19 6.66 2.86 -0.47 0.45 114.93 124.04 1gwp h MET 55 Ca -0.05 -0.02 -0.08 0.00 -2.06 0.00 0.00 59.70 57.48 1gwp h MET 55 Cb 0.45 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.02 1gwp h MET 55 CO 0.09 0.27 -0.21 -0.07 1.06 0.00 0.00 176.91 178.05 1gwp h LEU 56 N 0.42 0.51 -1.70 1.22 4.07 -0.62 -2.74 115.31 116.48 1gwp h LEU 56 Ca 0.45 -0.49 -0.04 0.00 0.08 0.00 0.00 57.88 57.88 1gwp h LEU 56 Cb 1.08 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 42.66 1gwp h LEU 56 CO -0.17 0.90 -0.17 -1.13 -1.08 0.00 0.00 178.44 176.79 1gwp h ASN 57 N 0.14 0.00 -0.53 -0.43 -0.73 0.93 -2.43 115.58 112.53 1gwp h ASN 57 Ca 0.03 0.00 -0.04 0.00 1.87 0.00 0.00 56.30 58.16 1gwp h ASN 57 Cb 0.77 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.33 1gwp h ASN 57 CO 0.05 0.17 0.17 0.74 -0.37 0.00 0.00 177.43 178.20 1gwp h THR 58 N 0.00 1.23 -1.66 -3.57 2.02 0.06 -3.45 112.91 107.55 1gwp h THR 58 Ca -0.00 -0.76 -0.48 0.00 0.77 0.00 0.00 66.41 65.93 1gwp h THR 58 Cb 0.43 0.73 0.25 0.00 -1.74 0.00 0.00 68.15 67.82 1gwp h THR 58 CO 0.02 0.28 -1.98 0.55 0.37 0.00 0.00 175.52 174.76 1gwp n VAL 59 N -4.48 0.00 -0.18 3.16 3.14 -0.92 -4.79 118.33 114.26 1gwp n VAL 59 Ca 0.02 -0.16 -0.05 0.00 -2.96 0.00 0.00 64.34 61.20 1gwp n VAL 59 Cb 0.19 -0.25 0.01 0.00 -1.06 0.00 0.00 33.84 32.73 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 -1.42 -0.04 0.00 7.55 0.00 -1.86 -3.46 103.07 103.84 1gwp h GLY 60 Ca -0.45 0.39 0.00 0.00 0.00 0.00 0.00 47.33 47.27 1gwp h GLY 60 CO 0.28 -0.21 0.00 0.61 0.00 0.00 0.00 176.54 177.22 1gwp n GLY 61 N -1.43 0.69 3.66 4.60 0.00 -1.26 -5.10 105.19 106.35 1gwp n GLY 61 Ca 0.04 -0.39 -0.41 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.27 3.40 0.19 1.61 3.76 -1.26 -4.94 115.29 117.78 1gwp s HIS 62 Ca 0.00 1.18 -0.06 0.00 -0.15 0.00 0.00 55.06 56.02 1gwp s HIS 62 Cb 0.00 -2.98 0.10 0.00 1.11 0.00 0.00 32.58 30.81 1gwp s HIS 62 CO 0.00 -0.25 1.56 0.37 -0.85 0.00 0.00 174.74 175.57 1gwp h GLN 63 N 7.41 0.80 0.03 1.40 4.15 -1.99 0.18 115.11 127.09 1gwp h GLN 63 Ca -0.29 -0.38 -0.00 0.00 0.77 0.00 0.00 58.65 58.75 1gwp h GLN 63 Cb 1.13 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.81 1gwp h GLN 63 CO 0.83 1.01 -0.01 0.00 -1.93 0.00 0.00 178.83 178.72 1gwp h ALA 64 N 0.96 -0.04 0.35 3.38 0.00 -1.98 0.41 119.26 122.34 1gwp h ALA 64 Ca 0.07 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1gwp h ALA 64 Cb 0.86 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 1gwp h ALA 64 CO 0.08 -0.33 -0.20 0.00 0.00 0.00 0.00 179.25 178.80 1gwp h ALA 65 N 0.55 -0.51 -0.73 0.00 0.00 -1.96 -1.37 119.26 115.23 1gwp h ALA 65 Ca -0.00 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.84 1gwp h ALA 65 Cb 0.39 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 1gwp h ALA 65 CO 0.01 -0.79 0.48 0.52 0.00 0.00 0.00 179.25 179.46 1gwp h MET 66 N -0.52 0.86 0.26 0.00 2.07 -0.66 -1.13 114.93 115.81 1gwp h MET 66 Ca -0.04 -0.05 -0.00 0.00 -2.07 0.00 0.00 59.70 57.54 1gwp h MET 66 Cb 0.42 -0.19 -0.01 0.00 -1.87 0.00 0.00 31.60 29.94 1gwp h MET 66 CO 0.05 0.57 -0.22 0.37 1.07 0.00 0.00 176.91 178.75 1gwp h GLN 67 N 0.88 -0.48 -0.93 1.72 5.75 0.35 0.68 115.11 123.08 1gwp h GLN 67 Ca 0.29 0.03 0.01 0.00 -0.15 0.00 0.00 58.65 58.84 1gwp h GLN 67 Cb 0.07 0.11 -0.05 0.00 1.07 0.00 0.00 27.48 28.68 1gwp h GLN 67 CO -0.08 -0.32 0.62 0.52 -2.65 0.00 0.00 178.83 176.91 1gwp h MET 68 N -0.50 1.21 -0.39 1.69 2.86 -0.83 -0.70 114.93 118.26 1gwp h MET 68 Ca -0.01 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 1gwp h MET 68 Cb 0.45 -0.27 -0.02 0.00 0.06 0.00 0.00 31.60 31.82 1gwp h MET 68 CO -0.03 0.80 0.21 1.25 1.06 0.00 0.00 176.91 180.21 1gwp h LEU 69 N 1.25 0.47 -0.08 1.22 6.46 -0.78 -0.86 115.31 122.99 1gwp h LEU 69 Ca 0.35 -0.03 -0.03 0.00 -0.12 0.00 0.00 57.88 58.05 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 0.39 -0.07 0.50 -0.62 0.00 0.00 178.44 178.56 1gwp h LYS 70 N 0.54 0.20 -0.41 1.25 3.11 0.48 -1.29 116.57 120.44 1gwp h LYS 70 Ca 0.14 -0.10 0.07 0.00 -2.81 0.00 0.00 60.65 57.96 1gwp h LYS 70 Cb 0.02 0.00 -0.06 0.00 -1.00 0.00 0.00 32.23 31.19 1gwp h LYS 70 CO -0.02 0.61 0.01 1.49 -2.81 0.00 0.00 179.45 178.73 1gwp h GLU 71 N -0.21 0.12 0.98 1.90 4.81 -0.53 0.26 114.58 121.90 1gwp h GLU 71 Ca 0.02 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.19 1gwp h GLU 71 Cb 0.56 -0.03 0.01 0.00 0.63 0.00 0.00 28.75 29.93 1gwp h GLU 71 CO 0.02 0.08 -0.48 1.15 -0.73 0.00 0.00 179.01 179.05 1gwp h THR 72 N 0.12 0.00 -0.83 0.32 2.02 -1.16 0.52 112.91 113.91 1gwp h THR 72 Ca 0.20 0.00 0.21 0.00 0.77 0.00 0.00 66.41 67.59 1gwp h THR 72 Cb 0.28 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 66.56 1gwp h THR 72 CO -0.33 0.00 0.17 0.40 0.37 0.00 0.00 175.52 176.13 1gwp h ILE 73 N -1.32 0.36 -0.47 3.11 2.04 -0.95 1.47 117.51 121.75 1gwp h ILE 73 Ca -0.13 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 1gwp h ILE 73 Cb 1.02 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 1gwp h ILE 73 CO 0.22 0.04 0.24 -1.13 0.00 0.00 0.00 178.15 177.51 1gwp h ASN 74 N 0.20 0.58 0.40 1.72 -1.24 -0.18 -1.48 115.58 115.57 1gwp h ASN 74 Ca 0.49 -0.04 -0.02 0.00 0.71 0.00 0.00 56.30 57.44 1gwp h ASN 74 Cb 0.94 -0.15 0.00 0.00 0.73 0.00 0.00 38.32 39.85 1gwp h ASN 74 CO -0.63 0.48 -0.19 -0.08 -1.29 0.00 0.00 177.43 175.72 1gwp h GLU 75 N 0.65 -0.52 -0.97 6.67 4.81 0.43 -1.08 114.58 124.58 1gwp h GLU 75 Ca 0.17 0.04 0.29 0.00 -0.13 0.00 0.00 59.36 59.72 1gwp h GLU 75 Cb 0.05 0.12 -0.14 0.00 0.63 0.00 0.00 28.75 29.40 1gwp h GLU 75 CO -0.02 -0.35 0.47 1.49 -0.73 0.00 0.00 179.01 179.87 1gwp h GLU 76 N -0.64 0.30 -0.07 1.92 4.22 -0.93 0.57 114.58 119.95 1gwp h GLU 76 Ca -0.06 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.37 1gwp h GLU 76 Cb 0.41 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1gwp h GLU 76 CO 0.09 0.20 0.04 0.00 -2.18 0.00 0.00 179.01 177.16 1gwp h ALA 77 N 1.82 0.08 -0.46 2.92 0.00 -1.17 0.72 119.26 123.17 1gwp h ALA 77 Ca 0.67 0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.67 1gwp h ALA 77 Cb 1.46 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 19.16 1gwp h ALA 77 CO -0.61 -0.43 -0.02 0.00 0.00 0.00 0.00 179.25 178.18 1gwp h ALA 78 N 1.04 0.40 -0.33 0.00 0.00 0.14 0.26 119.26 120.77 1gwp h ALA 78 Ca 0.03 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1gwp h ALA 78 Cb 0.00 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1gwp h ALA 78 CO -0.02 -0.40 0.16 0.93 0.00 0.00 0.00 179.25 179.92 1gwp h GLU 79 N 0.09 0.45 -0.21 0.00 4.39 -0.70 -1.02 114.58 117.57 1gwp h GLU 79 Ca 0.23 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.88 1gwp h GLU 79 Cb 0.34 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 1gwp h GLU 79 CO -0.40 0.35 0.12 2.35 -1.16 0.00 0.00 179.01 180.27 1gwp h TRP 80 N 0.46 0.29 -0.21 4.33 2.91 0.18 0.45 115.95 124.36 1gwp h TRP 80 Ca 0.12 -0.01 0.02 0.00 1.13 0.00 0.00 58.89 60.15 1gwp h TRP 80 Cb 0.05 -0.09 -0.02 0.00 -0.51 0.00 0.00 29.16 28.59 1gwp h TRP 80 CO 0.00 0.26 0.09 0.22 -1.03 0.00 0.00 178.44 177.99 1gwp h ASP 81 N 0.23 0.13 -0.46 2.65 3.58 -0.17 0.77 116.42 123.15 1gwp h ASP 81 Ca 0.07 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.53 1gwp h ASP 81 Cb 0.07 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.09 1gwp h ASP 81 CO -0.01 0.10 0.27 -0.09 -2.88 0.00 0.00 179.24 176.64 1gwp h ARG 82 N 0.21 0.65 0.00 0.28 2.43 -0.84 -3.24 114.38 113.87 1gwp h ARG 82 Ca 0.09 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1gwp h ARG 82 Cb 0.04 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 1gwp h ARG 82 CO -0.07 0.48 0.00 1.28 -1.51 0.00 0.00 179.97 180.14 1gwp n LEU 83 N -4.42 0.32 -4.62 3.80 4.77 0.15 -4.66 117.00 112.35 1gwp n LEU 83 Ca 0.04 0.58 -0.43 0.00 -0.03 0.00 0.00 56.01 56.17 1gwp n LEU 83 Cb 0.09 -0.42 -0.03 0.00 -2.33 0.00 0.00 43.42 40.73 1gwp n LEU 83 CO 0.36 -0.42 1.45 -1.00 -1.33 0.00 0.00 177.39 176.45 1gwp s HIS 84 N -1.42 1.95 -0.72 -1.77 3.76 0.26 -4.86 115.29 112.49 1gwp s HIS 84 Ca 0.00 0.55 -0.06 0.00 -0.15 0.00 0.00 55.06 55.40 1gwp s HIS 84 Cb 0.00 -4.07 -0.12 0.00 1.11 0.00 0.00 32.58 29.50 1gwp s HIS 84 CO 0.00 -3.00 2.62 -0.35 -0.85 0.00 0.00 174.74 173.16 1gwp n PRO 85 N 8.01 2.25 -1.63 8.40 -0.04 -1.26 -4.59 135.00 146.14 1gwp n PRO 85 Ca 0.21 -1.35 -0.15 0.00 -0.04 0.00 0.00 63.50 62.16 1gwp n PRO 85 Cb 0.46 -2.30 -0.07 0.00 -0.04 0.00 0.00 33.50 31.54 1gwp n PRO 85 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1gwp s VAL 86 N 2.33 3.07 0.00 0.52 0.11 -1.26 -4.15 120.40 121.01 1gwp s VAL 86 Ca 0.51 -0.06 0.00 0.00 -2.93 0.00 0.00 61.98 59.50 1gwp s VAL 86 Cb 0.18 -3.25 0.00 0.00 -1.53 0.00 0.00 36.38 31.78 1gwp s VAL 86 CO -0.03 -0.14 0.00 1.57 -3.33 0.00 0.00 175.10 173.17 1gwp n HIS 87 N 18.23 0.00 -3.98 1.54 -0.00 -1.26 -5.07 115.22 124.68 1gwp n HIS 87 Ca 0.46 0.00 0.02 0.00 -0.00 0.00 0.00 57.72 58.20 1gwp n HIS 87 Cb 0.44 0.00 0.01 0.00 -0.00 0.00 0.00 29.99 30.44 1gwp n HIS 87 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1gwp n ALA 88 N 0.00 -2.62 0.00 1.57 0.00 -1.26 -5.17 120.51 113.03 1gwp n ALA 88 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.90 1gwp n ALA 88 Cb 0.00 0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.52 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 -0.66 -0.73 2.73 0.00 0.00 -1.26 -4.72 105.19 100.55 1gwp n GLY 89 Ca 0.04 -1.34 -0.37 0.00 0.00 0.00 0.00 46.02 44.34 1gwp n GLY 89 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1gwp n PRO 90 N 0.35 2.42 -1.53 1.61 -0.04 -1.26 -4.90 135.00 131.64 1gwp n PRO 90 Ca 0.00 -2.02 -0.49 0.00 -0.04 0.00 0.00 63.50 60.95 1gwp n PRO 90 Cb 0.00 -2.88 -0.06 0.00 -0.04 0.00 0.00 33.50 30.52 1gwp n PRO 90 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1gwp n ILE 91 N 4.87 0.29 -2.17 0.52 2.08 -1.26 -4.90 119.36 118.80 1gwp n ILE 91 Ca 0.54 -0.27 -0.35 0.00 0.56 0.00 0.00 62.75 63.23 1gwp n ILE 91 Cb 0.30 -1.88 0.01 0.00 -0.75 0.00 0.00 39.64 37.32 1gwp n ILE 91 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1gwp s ALA 92 N 6.87 2.65 0.00 -1.39 0.00 -1.26 -4.86 121.76 123.78 1gwp s ALA 92 Ca 1.04 0.90 -0.03 0.00 0.00 0.00 0.00 51.96 53.88 1gwp s ALA 92 Cb -0.72 -3.40 -0.13 0.00 0.00 0.00 0.00 23.12 18.88 1gwp s ALA 92 CO 0.47 -0.91 2.35 -0.35 0.00 0.00 0.00 175.76 177.32 1gwp n PRO 93 N -1.36 1.22 -0.04 0.00 -0.04 -1.26 -1.95 135.00 131.57 1gwp n PRO 93 Ca 0.12 -0.47 0.00 0.00 -0.04 0.00 0.00 63.50 63.11 1gwp n PRO 93 Cb 0.50 -1.59 0.00 0.00 -0.04 0.00 0.00 33.50 32.37 1gwp n PRO 93 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1gwp n GLY 94 N 2.24 0.18 0.00 0.55 0.00 -1.26 -5.15 105.19 101.75 1gwp n GLY 94 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1gwp n GLY 94 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gwp n GLN 95 N 0.00 3.06 -4.34 1.61 10.64 -0.82 -5.16 117.38 122.37 1gwp n GLN 95 Ca 0.00 0.00 -0.21 0.00 -1.83 0.00 0.00 57.00 54.96 1gwp n GLN 95 Cb 0.09 0.00 -0.11 0.00 -0.86 0.00 0.00 30.24 29.36 1gwp n GLN 95 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1gwp s MET 96 N -0.13 1.30 0.59 2.61 0.23 -1.26 -4.93 119.30 117.71 1gwp s MET 96 Ca 0.00 -1.45 0.10 0.00 -1.03 0.00 0.00 55.69 53.31 1gwp s MET 96 Cb 0.00 -1.32 0.09 0.00 -1.53 0.00 0.00 34.83 32.08 1gwp s MET 96 CO 0.00 0.26 0.79 1.03 -2.03 0.00 0.00 175.02 175.07 1gwp s ARG 97 N -2.94 2.24 -0.24 3.16 0.52 -1.26 -4.95 118.95 115.48 1gwp s ARG 97 Ca 0.17 -1.73 -0.23 0.00 -0.52 0.00 0.00 55.73 53.43 1gwp s ARG 97 Cb -0.05 -2.59 -0.01 0.00 0.52 0.00 0.00 34.95 32.82 1gwp s ARG 97 CO 0.07 -0.92 0.74 -1.83 0.02 0.00 0.00 175.30 173.39 1gwp s GLU 98 N -4.67 4.17 0.13 3.54 1.03 -1.26 -5.03 118.70 116.61 1gwp s GLU 98 Ca 0.60 0.78 -0.30 0.00 0.03 0.00 0.00 54.97 56.08 1gwp s GLU 98 Cb -0.05 -3.64 -0.07 0.00 -0.80 0.00 0.00 34.13 29.58 1gwp s GLU 98 CO 0.38 -0.44 1.13 -1.25 -1.33 0.00 0.00 175.26 173.75 1gwp s PRO 99 N 2.59 4.53 -0.24 -4.83 0.04 -1.26 -4.80 135.00 131.03 1gwp s PRO 99 Ca 0.31 1.73 0.00 0.00 0.04 0.00 0.00 61.00 63.09 1gwp s PRO 99 Cb -0.15 -3.30 0.22 0.00 0.04 0.00 0.00 34.50 31.30 1gwp s PRO 99 CO 0.08 -0.05 1.78 2.89 0.04 0.00 0.00 177.00 181.74 1gwp n ARG 100 N 2.94 1.63 0.00 4.56 1.85 -1.26 -4.82 116.66 121.55 1gwp n ARG 100 Ca 0.05 -1.32 0.00 0.00 -1.00 0.00 0.00 57.85 55.58 1gwp n ARG 100 Cb 0.46 -1.52 0.00 0.00 -1.05 0.00 0.00 32.46 30.36 1gwp n ARG 100 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1gwp n GLY 101 N 0.25 1.65 0.38 2.89 0.00 -1.26 -3.44 105.19 105.65 1gwp n GLY 101 Ca 0.26 -0.14 0.17 0.00 0.00 0.00 0.00 46.02 46.31 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 0.00 0.61 0.04 1.61 0.02 -1.88 0.70 113.55 114.65 1gwp h SER 102 Ca 0.00 0.08 -0.12 0.00 -0.84 0.00 0.00 61.79 60.91 1gwp h SER 102 Cb 0.00 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 1gwp h SER 102 CO 0.00 0.20 -0.39 0.44 -1.14 0.00 0.00 176.83 175.94 1gwp h ASP 103 N 0.58 0.49 0.00 3.07 3.32 -1.90 -1.99 116.42 119.99 1gwp h ASP 103 Ca 0.56 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 57.40 1gwp h ASP 103 Cb 1.12 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.53 1gwp h ASP 103 CO -0.32 0.83 0.04 0.40 -1.72 0.00 0.00 179.24 178.48 1gwp h ILE 104 N 0.39 0.00 0.00 0.35 2.04 0.05 0.66 117.51 120.99 1gwp h ILE 104 Ca 0.04 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.83 1gwp h ILE 104 Cb 0.86 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 1gwp h ILE 104 CO 0.07 0.00 -0.59 0.00 0.00 0.00 0.00 178.15 177.63 1gwp h ALA 105 N 1.91 0.73 0.00 1.87 0.00 -0.98 -3.46 119.26 119.33 1gwp h ALA 105 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1gwp h ALA 105 Cb 0.08 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1gwp h ALA 105 CO 0.00 0.40 0.00 0.41 0.00 0.00 0.00 179.25 180.06 1gwp n GLY 106 N 1.21 0.73 0.30 0.00 0.00 0.23 -4.96 105.19 102.70 1gwp n GLY 106 Ca 0.00 -0.30 -0.08 0.00 0.00 0.00 0.00 46.02 45.64 1gwp n GLY 106 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1gwp h THR 107 N 0.00 1.26 0.00 2.61 2.02 -1.73 -3.29 112.91 113.79 1gwp h THR 107 Ca 0.00 -1.13 0.00 0.00 0.77 0.00 0.00 66.41 66.05 1gwp h THR 107 Cb 0.00 0.85 0.00 0.00 -1.74 0.00 0.00 68.15 67.26 1gwp h THR 107 CO 0.00 0.41 -0.82 0.35 0.37 0.00 0.00 175.52 175.82 1gwp n THR 108 N -4.18 0.00 -4.32 3.16 -2.24 -1.26 -5.03 114.28 100.41 1gwp n THR 108 Ca 0.03 -0.23 -0.23 0.00 -2.27 0.00 0.00 64.05 61.35 1gwp n THR 108 Cb 0.34 0.64 -0.08 0.00 -2.10 0.00 0.00 70.33 69.13 1gwp n THR 108 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1gwp s SER 109 N -2.12 4.37 0.46 3.42 1.04 -1.24 -5.10 113.70 114.52 1gwp s SER 109 Ca -0.00 -0.73 0.05 0.00 0.48 0.00 0.00 55.95 55.75 1gwp s SER 109 Cb 0.03 -0.73 0.05 0.00 0.10 0.00 0.00 66.02 65.47 1gwp s SER 109 CO 0.21 -0.01 0.42 0.35 0.98 0.00 0.00 173.24 175.19 1gwp n THR 110 N -0.86 0.00 -0.09 2.02 -2.24 -1.26 -4.22 114.28 107.63 1gwp n THR 110 Ca -0.06 -1.73 -0.07 0.00 -2.27 0.00 0.00 64.05 59.93 1gwp n THR 110 Cb 0.59 -0.25 0.01 0.00 -2.10 0.00 0.00 70.33 68.58 1gwp n THR 110 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1gwp h LEU 111 N 0.00 0.06 -0.60 3.22 5.85 -1.99 -0.77 115.31 121.08 1gwp h LEU 111 Ca -0.27 0.05 0.10 0.00 0.84 0.00 0.00 57.88 58.59 1gwp h LEU 111 Cb 1.03 0.05 -0.07 0.00 0.37 0.00 0.00 40.66 42.04 1gwp h LEU 111 CO 0.41 0.07 0.20 1.56 -0.34 0.00 0.00 178.44 180.34 1gwp h GLN 112 N 0.21 0.36 -0.78 1.25 4.20 -1.99 -0.19 115.11 118.16 1gwp h GLN 112 Ca 0.15 -0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.87 1gwp h GLN 112 Cb 0.15 -0.08 -0.05 0.00 0.30 0.00 0.00 27.48 27.80 1gwp h GLN 112 CO -0.18 0.24 0.50 0.93 -0.67 0.00 0.00 178.83 179.65 1gwp h GLU 113 N 0.37 0.96 -0.38 1.46 5.08 -1.70 -0.65 114.58 119.72 1gwp h GLU 113 Ca 0.30 -0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.63 1gwp h GLU 113 Cb 0.39 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 1gwp h GLU 113 CO -0.32 0.63 0.20 0.37 -1.00 0.00 0.00 179.01 178.89 1gwp h GLN 114 N 0.99 0.39 -0.57 2.33 4.15 0.32 -0.64 115.11 122.07 1gwp h GLN 114 Ca 0.31 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.69 1gwp h GLN 114 Cb -0.01 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.56 1gwp h GLN 114 CO -0.10 0.26 0.31 0.82 -1.93 0.00 0.00 178.83 178.18 1gwp h ILE 115 N 0.40 1.18 0.74 2.39 5.03 -0.56 -0.53 117.51 126.17 1gwp h ILE 115 Ca 0.16 -0.45 -0.04 0.00 -0.12 0.00 0.00 64.86 64.41 1gwp h ILE 115 Cb 0.06 0.41 0.01 0.00 -3.03 0.00 0.00 36.82 34.26 1gwp h ILE 115 CO -0.10 0.20 -0.36 1.23 -0.68 0.00 0.00 178.15 178.44 1gwp h GLY 116 N 0.86 -1.04 1.03 5.37 0.00 0.06 0.91 103.07 110.27 1gwp h GLY 116 Ca 0.20 0.39 0.11 0.00 0.00 0.00 0.00 47.33 48.03 1gwp h GLY 116 CO -0.03 -0.38 0.39 1.49 0.00 0.00 0.00 176.54 178.00 1gwp h TRP 117 N -1.07 0.32 0.00 5.60 6.55 -0.95 1.39 115.95 127.79 1gwp h TRP 117 Ca -0.10 0.01 0.00 0.00 0.95 0.00 0.00 58.89 59.75 1gwp h TRP 117 Cb 0.78 -0.10 0.00 0.00 -0.86 0.00 0.00 29.16 28.98 1gwp h TRP 117 CO -0.01 0.15 -0.02 1.98 -1.05 0.00 0.00 178.44 179.48 1gwp h MET 118 N 0.30 0.00 -0.05 0.49 4.05 -0.53 1.40 114.93 120.58 1gwp h MET 118 Ca 0.27 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.68 1gwp h MET 118 Cb 0.65 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.45 1gwp h MET 118 CO -0.06 0.00 -0.05 2.41 0.23 0.00 0.00 176.91 179.44 1gwp n THR 119 N -2.67 2.00 -3.18 -0.77 -1.04 0.31 -4.51 114.28 104.42 1gwp n THR 119 Ca 0.05 -2.32 -0.18 0.00 -2.04 0.00 0.00 64.05 59.56 1gwp n THR 119 Cb 0.48 -0.24 0.00 0.00 -1.82 0.00 0.00 70.33 68.75 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 -2.92 2.87 -0.24 -1.42 5.04 0.41 -4.94 115.29 114.09 1gwp s HIS 120 Ca 0.35 -0.36 0.00 0.00 -1.54 0.00 0.00 55.06 53.50 1gwp s HIS 120 Cb 0.30 -2.26 0.04 0.00 0.04 0.00 0.00 32.58 30.70 1gwp s HIS 120 CO 0.03 -0.28 -0.10 -0.80 -2.34 0.00 0.00 174.74 171.24 1gwp s ASN 121 N -4.28 4.14 0.78 9.88 -0.87 -1.26 0.12 114.94 123.44 1gwp s ASN 121 Ca 0.52 -1.00 -0.11 0.00 -1.57 0.00 0.00 52.86 50.69 1gwp s ASN 121 Cb -0.09 -1.60 0.06 0.00 -0.02 0.00 0.00 41.25 39.60 1gwp s ASN 121 CO 0.32 -0.13 1.09 -2.16 -2.57 0.00 0.00 177.10 173.65 1gwp s PRO 122 N 1.25 2.27 -0.23 -0.60 0.04 -1.26 -5.08 135.00 131.39 1gwp s PRO 122 Ca -0.02 0.71 -0.29 0.00 0.04 0.00 0.00 61.00 61.44 1gwp s PRO 122 Cb -0.17 -1.93 -0.01 0.00 0.04 0.00 0.00 34.50 32.43 1gwp s PRO 122 CO -0.06 -1.51 1.31 -1.25 0.04 0.00 0.00 177.00 175.53 1gwp s PRO 123 N -5.13 4.06 -0.16 0.56 0.04 0.32 -4.94 135.00 129.75 1gwp s PRO 123 Ca 0.60 1.49 -0.25 0.00 0.04 0.00 0.00 61.00 62.88 1gwp s PRO 123 Cb -0.14 -3.84 -0.02 0.00 0.04 0.00 0.00 34.50 30.55 1gwp s PRO 123 CO 0.54 -0.93 0.84 0.42 0.04 0.00 0.00 177.00 177.91 1gwp s ILE 124 N 4.00 4.88 0.00 0.56 1.09 0.48 -4.92 121.20 127.29 1gwp s ILE 124 Ca 0.57 1.65 -0.03 0.00 -1.10 0.00 0.00 60.65 61.74 1gwp s ILE 124 Cb -0.20 -4.14 -0.14 0.00 -1.06 0.00 0.00 42.46 36.92 1gwp s ILE 124 CO 0.19 0.04 2.43 -0.81 -0.10 0.00 0.00 174.94 176.69 1gwp n PRO 125 N 5.14 1.27 -0.40 2.79 -0.04 -1.26 -3.30 135.00 139.20 1gwp n PRO 125 Ca 0.04 -0.52 0.33 0.00 -0.04 0.00 0.00 63.50 63.32 1gwp n PRO 125 Cb 0.49 -1.64 0.64 0.00 -0.04 0.00 0.00 33.50 32.95 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 1.93 0.31 0.00 0.52 3.04 -1.89 0.44 116.25 120.61 1gwp h VAL 126 Ca 0.10 -0.05 0.00 0.00 -1.01 0.00 0.00 66.70 65.73 1gwp h VAL 126 Cb 1.02 0.14 0.00 0.00 -2.01 0.00 0.00 31.29 30.44 1gwp h VAL 126 CO 0.20 0.03 0.00 0.61 -1.01 0.00 0.00 177.57 177.40 1gwp n GLY 127 N -1.60 -1.55 0.35 3.17 0.00 -1.26 -1.54 105.19 102.75 1gwp n GLY 127 Ca 0.31 0.00 0.22 0.00 0.00 0.00 0.00 46.02 46.56 1gwp n GLY 127 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1gwp h GLU 128 N 0.00 0.38 0.85 1.61 4.57 -1.58 0.40 114.58 120.81 1gwp h GLU 128 Ca 0.00 -0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.12 1gwp h GLU 128 Cb 0.00 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.51 1gwp h GLU 128 CO 0.00 0.25 -0.44 0.82 -1.18 0.00 0.00 179.01 178.46 1gwp h ILE 129 N 0.40 0.10 -0.87 2.32 2.04 -0.20 -1.35 117.51 119.94 1gwp h ILE 129 Ca 0.70 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.66 1gwp h ILE 129 Cb 1.57 0.10 -0.06 0.00 -0.74 0.00 0.00 36.82 37.68 1gwp h ILE 129 CO -0.54 0.00 0.56 0.22 0.00 0.00 0.00 178.15 178.39 1gwp h TYR 130 N -1.19 0.91 -0.29 1.37 3.20 0.23 0.06 116.97 121.26 1gwp h TYR 130 Ca -0.11 0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.83 1gwp h TYR 130 Cb 0.93 -0.29 -0.04 0.00 1.54 0.00 0.00 36.73 38.86 1gwp h TYR 130 CO -0.04 0.42 0.02 -0.22 -1.64 0.00 0.00 178.16 176.69 1gwp h LYS 131 N 0.84 0.10 -0.00 1.82 3.11 0.04 0.84 116.57 123.32 1gwp h LYS 131 Ca 0.40 -0.01 -0.08 0.00 -2.81 0.00 0.00 60.65 58.15 1gwp h LYS 131 Cb 0.43 -0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.62 1gwp h LYS 131 CO -0.17 0.07 -0.39 -0.09 -2.81 0.00 0.00 179.45 176.06 1gwp h ARG 132 N 0.11 0.01 0.00 1.90 2.43 -0.10 -1.71 114.38 117.02 1gwp h ARG 132 Ca 0.14 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1gwp h ARG 132 Cb 0.17 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 1gwp h ARG 132 CO -0.22 0.40 0.00 0.91 -1.51 0.00 0.00 179.97 179.55 1gwp n TRP 133 N -4.07 0.00 -0.27 2.20 7.02 -0.11 0.60 117.44 122.80 1gwp n TRP 133 Ca -0.02 0.00 0.04 0.00 -1.02 0.00 0.00 57.50 56.50 1gwp n TRP 133 Cb 0.42 -0.48 0.12 0.00 -2.42 0.00 0.00 31.31 28.96 1gwp n TRP 133 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 1gwp h ILE 134 N 0.00 0.23 -0.77 -0.99 2.04 -0.95 1.57 117.51 118.65 1gwp h ILE 134 Ca 0.00 -0.01 0.07 0.00 1.00 0.00 0.00 64.86 65.92 1gwp h ILE 134 Cb 0.00 0.21 -0.05 0.00 -0.74 0.00 0.00 36.82 36.24 1gwp h ILE 134 CO 0.00 0.00 0.51 0.40 0.00 0.00 0.00 178.15 179.06 1gwp h ILE 135 N 0.03 1.02 -0.26 -0.67 5.03 -1.25 -0.81 117.51 120.59 1gwp h ILE 135 Ca 0.40 -0.28 0.03 0.00 -0.12 0.00 0.00 64.86 64.89 1gwp h ILE 135 Cb 0.65 0.14 -0.03 0.00 -3.03 0.00 0.00 36.82 34.56 1gwp h ILE 135 CO -0.78 0.15 0.09 0.25 -0.68 0.00 0.00 178.15 177.18 1gwp h LEU 136 N 0.81 0.10 -0.05 1.44 6.46 0.78 0.13 115.31 124.97 1gwp h LEU 136 Ca 0.34 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 58.12 1gwp h LEU 136 Cb 0.27 0.02 -0.00 0.00 -0.73 0.00 0.00 40.66 40.22 1gwp h LEU 136 CO -0.12 0.09 0.03 1.23 -0.62 0.00 0.00 178.44 179.05 1gwp h GLY 137 N 0.21 0.07 0.52 3.75 0.00 -0.01 -1.14 103.07 106.47 1gwp h GLY 137 Ca 0.12 -0.03 0.10 0.00 0.00 0.00 0.00 47.33 47.52 1gwp h GLY 137 CO -0.12 0.03 0.54 1.41 0.00 0.00 0.00 176.54 178.40 1gwp h LEU 138 N 0.05 0.79 -0.31 3.11 3.38 -0.85 0.13 115.31 121.61 1gwp h LEU 138 Ca 0.02 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.04 1gwp h LEU 138 Cb 0.02 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1gwp h LEU 138 CO -0.00 0.44 0.19 -1.13 0.09 0.00 0.00 178.44 178.03 1gwp h ASN 139 N 0.89 0.31 -0.47 -0.43 -1.24 -0.21 0.23 115.58 114.67 1gwp h ASN 139 Ca 0.43 -0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.44 1gwp h ASN 139 Cb 0.39 -0.07 -0.02 0.00 0.73 0.00 0.00 38.32 39.35 1gwp h ASN 139 CO -0.25 0.22 0.28 0.50 -1.29 0.00 0.00 177.43 176.90 1gwp h LYS 140 N 0.38 0.65 -0.03 6.67 1.63 0.13 -0.06 116.57 125.94 1gwp h LYS 140 Ca 0.12 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 59.86 1gwp h LYS 140 Cb -0.01 -0.14 -0.00 0.00 -0.60 0.00 0.00 32.23 31.48 1gwp h LYS 140 CO -0.05 0.46 -0.00 0.82 -3.45 0.00 0.00 179.45 177.23 1gwp h ILE 141 N 0.66 1.27 -0.52 2.00 2.04 0.39 -2.36 117.51 120.99 1gwp h ILE 141 Ca 0.17 -0.82 0.07 0.00 1.00 0.00 0.00 64.86 65.28 1gwp h ILE 141 Cb -0.01 1.76 -0.03 0.00 -0.74 0.00 0.00 36.82 37.79 1gwp h ILE 141 CO -0.03 0.22 0.35 0.58 0.00 0.00 0.00 178.15 179.27 1gwp h VAL 142 N -0.26 0.96 -0.47 1.67 2.07 0.04 0.33 116.25 120.60 1gwp h VAL 142 Ca 0.01 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 1gwp h VAL 142 Cb 0.36 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 1gwp h VAL 142 CO 0.00 0.08 0.23 -0.09 0.02 0.00 0.00 177.57 177.82 1gwp h ARG 143 N 0.43 0.66 0.00 1.57 2.43 -0.69 0.58 114.38 119.37 1gwp h ARG 143 Ca 0.23 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1gwp h ARG 143 Cb 0.34 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 1gwp h ARG 143 CO -0.06 0.55 0.00 1.98 -1.51 0.00 0.00 179.97 180.93 1gwp h MET 144 N 0.61 0.00 0.00 0.20 4.05 -0.63 -3.17 114.93 115.99 1gwp h MET 144 Ca 0.16 0.00 -0.22 0.00 -0.28 0.00 0.00 59.70 59.36 1gwp h MET 144 Cb 0.10 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 30.86 1gwp h MET 144 CO -0.02 0.00 -1.37 -0.92 0.23 0.00 0.00 176.91 174.83 1gwp h TYR 145 N 0.00 0.00 -0.37 1.39 3.20 0.29 -3.36 116.97 118.12 1gwp h TYR 145 Ca 0.00 0.00 0.08 0.00 3.14 0.00 0.00 58.73 61.95 1gwp h TYR 145 Cb 0.83 0.00 -0.09 0.00 1.54 0.00 0.00 36.73 39.02 1gwp h TYR 145 CO 0.00 0.83 -0.34 1.03 -1.64 0.00 0.00 178.16 178.04 1gwp h SER 146 N 0.00 -1.11 -2.11 -2.11 0.87 0.18 -3.33 113.55 105.94 1gwp h SER 146 Ca -0.17 0.19 -0.52 0.00 -1.23 0.00 0.00 61.79 60.06 1gwp h SER 146 Cb 1.78 0.51 -0.06 0.00 -0.44 0.00 0.00 62.40 64.20 1gwp h SER 146 CO 0.08 -0.33 1.20 -2.16 -0.53 0.00 0.00 176.83 175.09 1gwp s PRO 147 N -5.98 2.92 0.97 2.24 0.04 -1.26 -4.97 135.00 128.96 1gwp s PRO 147 Ca -0.15 0.13 -0.14 0.00 0.04 0.00 0.00 61.00 60.88 1gwp s PRO 147 Cb 0.13 -4.33 -0.02 0.00 0.04 0.00 0.00 34.50 30.32 1gwp s PRO 147 CO 0.67 -2.45 0.00 -2.37 0.04 0.00 0.00 177.00 172.89 1gwp n THR 148 N 6.82 0.00 -3.14 1.26 5.66 -1.25 -5.01 114.28 118.61 1gwp n THR 148 Ca 0.13 -0.29 0.06 0.00 -3.05 0.00 0.00 64.05 60.90 1gwp n THR 148 Cb 0.50 -0.42 0.00 0.00 -1.55 0.00 0.00 70.33 68.87 1gwp n THR 148 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1gwp s SER 149 N -1.68 -0.04 0.29 1.09 0.15 -1.26 -5.13 113.70 107.11 1gwp s SER 149 Ca 0.51 0.00 -0.30 0.00 0.70 0.00 0.00 55.95 56.87 1gwp s SER 149 Cb -0.20 1.01 -0.11 0.00 -1.71 0.00 0.00 66.02 65.01 1gwp s SER 149 CO 0.72 -0.01 1.56 -0.63 1.20 0.00 0.00 173.24 176.09 1gwp s ILE 150 N 2.98 2.18 -1.19 6.45 1.01 -1.26 -5.22 121.20 126.15 1gwp s ILE 150 Ca 0.33 0.15 0.00 0.00 0.00 0.00 0.00 60.65 61.13 1gwp s ILE 150 Cb 0.01 -3.10 0.00 0.00 0.01 0.00 0.00 42.46 39.38 1gwp s ILE 150 CO -0.22 0.02 0.30 -0.11 0.00 0.00 0.00 174.94 174.93