#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 3.53 0.24 0.52 1.01 -1.26 -1.44 121.20 123.80 1gwp s ILE 2 Ca 0.00 -0.67 0.04 0.00 0.00 0.00 0.00 60.65 60.02 1gwp s ILE 2 Cb 0.00 -2.47 -0.05 0.00 0.01 0.00 0.00 42.46 39.95 1gwp s ILE 2 CO 0.00 0.50 -0.00 0.68 0.00 0.00 0.00 174.94 176.12 1gwp s VAL 3 N -0.88 1.09 -0.14 2.92 -7.23 0.23 -4.95 120.40 111.44 1gwp s VAL 3 Ca 0.14 -2.04 -0.13 0.00 -1.81 0.00 0.00 61.98 58.14 1gwp s VAL 3 Cb -0.11 -2.38 -0.05 0.00 0.56 0.00 0.00 36.38 34.40 1gwp s VAL 3 CO 0.04 -0.30 0.28 -1.10 -0.31 0.00 0.00 175.10 173.71 1gwp s GLN 4 N -3.85 4.14 1.23 4.82 -0.21 -1.26 -1.47 119.66 123.05 1gwp s GLN 4 Ca 0.29 0.08 -0.18 0.00 0.02 0.00 0.00 55.36 55.57 1gwp s GLN 4 Cb 0.06 -3.38 0.26 0.00 1.00 0.00 0.00 33.01 30.94 1gwp s GLN 4 CO 0.09 0.34 0.60 0.09 -2.12 0.00 0.00 175.29 174.30 1gwp n ASN 5 N 3.25 -2.89 -0.04 5.90 3.02 0.86 -4.89 115.26 120.47 1gwp n ASN 5 Ca -0.13 -0.42 -0.14 0.00 -0.03 0.00 0.00 54.58 53.86 1gwp n ASN 5 Cb 0.52 -1.02 -0.11 0.00 -0.61 0.00 0.00 39.78 38.56 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 -2.86 0.03 0.36 3.41 4.07 -1.98 -3.35 115.31 114.98 1gwp h LEU 6 Ca -0.47 -0.71 -0.02 0.00 0.08 0.00 0.00 57.88 56.76 1gwp h LEU 6 Cb 1.24 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.97 1gwp h LEU 6 CO 0.33 0.73 -0.17 1.56 -1.08 0.00 0.00 178.44 179.81 1gwp h GLN 7 N -0.67 -0.46 0.00 1.13 7.50 -2.06 -3.47 115.11 117.08 1gwp h GLN 7 Ca -0.00 0.03 0.00 0.00 0.50 0.00 0.00 58.65 59.18 1gwp h GLN 7 Cb 0.73 0.10 0.00 0.00 0.05 0.00 0.00 27.48 28.37 1gwp h GLN 7 CO 0.01 -0.14 0.00 0.41 -1.50 0.00 0.00 178.83 177.60 1gwp n GLY 8 N -0.31 -0.78 3.59 3.46 0.00 -1.26 -5.17 105.19 104.73 1gwp n GLY 8 Ca -0.10 0.43 -0.02 0.00 0.00 0.00 0.00 46.02 46.33 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 0.52 0.08 1.61 -0.21 -1.26 -4.92 119.66 115.48 1gwp s GLN 9 Ca 0.00 1.13 -0.31 0.00 0.02 0.00 0.00 55.36 56.20 1gwp s GLN 9 Cb 0.00 0.48 -0.07 0.00 1.00 0.00 0.00 33.01 34.42 1gwp s GLN 9 CO 0.00 -0.15 1.39 -1.64 -2.12 0.00 0.00 175.29 172.78 1gwp s MET 10 N 2.25 4.31 0.04 2.91 -1.94 -1.26 -0.10 119.30 125.51 1gwp s MET 10 Ca -0.07 2.04 -0.10 0.00 -1.71 0.00 0.00 55.69 55.86 1gwp s MET 10 Cb -0.08 -3.35 0.01 0.00 2.01 0.00 0.00 34.83 33.42 1gwp s MET 10 CO -0.18 -0.47 0.21 0.14 -0.01 0.00 0.00 175.02 174.70 1gwp s VAL 11 N 1.49 0.11 0.25 -6.03 -7.23 -0.54 -4.93 120.40 103.52 1gwp s VAL 11 Ca 0.65 -0.89 -0.05 0.00 -1.81 0.00 0.00 61.98 59.88 1gwp s VAL 11 Cb -0.35 -0.94 -0.05 0.00 0.56 0.00 0.00 36.38 35.60 1gwp s VAL 11 CO 0.29 -0.49 0.51 -1.38 -0.31 0.00 0.00 175.10 173.72 1gwp s HIS 12 N -2.64 3.47 -0.37 2.82 -3.43 -1.26 -0.60 115.29 113.28 1gwp s HIS 12 Ca -0.04 0.60 0.05 0.00 -0.80 0.00 0.00 55.06 54.87 1gwp s HIS 12 Cb -0.01 -2.06 0.45 0.00 -1.43 0.00 0.00 32.58 29.53 1gwp s HIS 12 CO -0.04 0.25 1.34 0.94 -2.00 0.00 0.00 174.74 175.22 1gwp n GLN 13 N -0.70 3.45 -0.15 -0.38 7.27 -0.52 -4.87 117.38 121.47 1gwp n GLN 13 Ca -0.02 -4.04 0.02 0.00 0.07 0.00 0.00 57.00 53.03 1gwp n GLN 13 Cb 0.53 -2.28 -0.01 0.00 2.41 0.00 0.00 30.24 30.90 1gwp n GLN 13 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1gwp n ALA 14 N -0.73 -0.79 -2.21 1.69 0.00 -1.26 -4.75 120.51 112.46 1gwp n ALA 14 Ca 0.47 0.05 -0.14 0.00 0.00 0.00 0.00 53.44 53.82 1gwp n ALA 14 Cb 0.89 -0.24 0.09 0.00 0.00 0.00 0.00 19.45 20.19 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 -1.03 0.00 -4.54 0.00 0.13 -1.26 -3.53 119.36 109.13 1gwp n ILE 15 Ca 0.00 -0.86 -0.25 0.00 -1.10 0.00 0.00 62.75 60.54 1gwp n ILE 15 Cb 0.07 -1.26 -0.14 0.00 -0.84 0.00 0.00 39.64 37.47 1gwp n ILE 15 CO 0.00 0.00 0.00 -0.55 2.80 0.00 0.00 176.55 178.80 1gwp s SER 16 N -3.62 2.55 0.10 9.51 0.15 -1.26 -4.99 113.70 116.14 1gwp s SER 16 Ca 0.42 -0.58 -0.12 0.00 0.70 0.00 0.00 55.95 56.37 1gwp s SER 16 Cb -0.02 -0.19 -0.17 0.00 -1.71 0.00 0.00 66.02 63.93 1gwp s SER 16 CO 0.28 0.13 1.26 1.55 1.20 0.00 0.00 173.24 177.66 1gwp h PRO 17 N 4.59 0.68 -0.13 5.44 0.13 -1.99 -1.59 132.00 139.13 1gwp h PRO 17 Ca -0.44 -0.66 -0.08 0.00 -0.87 0.00 0.00 66.00 63.94 1gwp h PRO 17 Cb 1.17 0.17 -0.01 0.00 0.13 0.00 0.00 31.00 32.45 1gwp h PRO 17 CO 0.42 1.26 -0.29 0.00 -0.23 0.00 0.00 178.00 179.16 1gwp h ARG 18 N 0.42 0.25 0.01 0.86 3.08 -1.98 0.31 114.38 117.33 1gwp h ARG 18 Ca -0.09 -0.09 -0.00 0.00 0.07 0.00 0.00 59.98 59.86 1gwp h ARG 18 Cb 1.57 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.60 1gwp h ARG 18 CO 0.18 0.53 -0.00 1.15 -1.07 0.00 0.00 179.97 180.76 1gwp h THR 19 N 0.22 1.53 -0.68 2.04 2.02 -1.97 -1.41 112.91 114.66 1gwp h THR 19 Ca 0.03 -1.64 -0.04 0.00 0.77 0.00 0.00 66.41 65.53 1gwp h THR 19 Cb 0.64 2.64 -0.03 0.00 -1.74 0.00 0.00 68.15 69.66 1gwp h THR 19 CO 0.05 0.42 0.29 -0.07 0.37 0.00 0.00 175.52 176.57 1gwp h LEU 20 N -0.72 0.92 0.80 2.58 3.38 -1.21 0.27 115.31 121.34 1gwp h LEU 20 Ca -0.00 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 1gwp h LEU 20 Cb 0.70 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1gwp h LEU 20 CO 0.00 0.83 -0.42 -1.13 0.09 0.00 0.00 178.44 177.81 1gwp h ASN 21 N 0.96 -1.03 -0.73 -0.43 -0.73 -0.43 0.21 115.58 113.40 1gwp h ASN 21 Ca 0.23 0.04 0.12 0.00 1.87 0.00 0.00 56.30 58.57 1gwp h ASN 21 Cb 0.19 0.28 -0.09 0.00 0.27 0.00 0.00 38.32 38.97 1gwp h ASN 21 CO -0.02 -0.69 0.31 0.00 -0.37 0.00 0.00 177.43 176.67 1gwp h ALA 22 N -1.39 1.02 0.19 1.57 0.00 -1.17 -0.62 119.26 118.85 1gwp h ALA 22 Ca -0.11 0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1gwp h ALA 22 Cb 0.87 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 1gwp h ALA 22 CO 0.16 -0.16 -0.46 2.35 0.00 0.00 0.00 179.25 181.14 1gwp h TRP 23 N 0.49 -1.31 -0.93 0.00 2.91 -0.16 0.71 115.95 117.66 1gwp h TRP 23 Ca 0.39 0.03 0.25 0.00 1.13 0.00 0.00 58.89 60.69 1gwp h TRP 23 Cb 0.53 0.55 -0.13 0.00 -0.51 0.00 0.00 29.16 29.60 1gwp h TRP 23 CO -0.15 -0.57 0.41 0.28 -1.03 0.00 0.00 178.44 177.39 1gwp h VAL 24 N -0.74 0.40 -0.43 2.65 2.07 0.70 1.35 116.25 122.24 1gwp h VAL 24 Ca 0.00 -0.12 -0.10 0.00 0.82 0.00 0.00 66.70 67.30 1gwp h VAL 24 Cb 0.73 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 1gwp h VAL 24 CO -0.22 0.06 -0.12 0.11 0.02 0.00 0.00 177.57 177.42 1gwp h LYS 25 N 0.35 0.78 -0.39 1.57 1.57 0.48 0.32 116.57 121.26 1gwp h LYS 25 Ca 0.61 -0.26 -0.03 0.00 -1.87 0.00 0.00 60.65 59.09 1gwp h LYS 25 Cb 1.23 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.46 1gwp h LYS 25 CO -0.57 0.87 0.13 0.28 -0.57 0.00 0.00 179.45 179.58 1gwp h VAL 26 N 0.71 1.21 -0.50 0.50 2.07 0.76 0.21 116.25 121.21 1gwp h VAL 26 Ca 0.12 -0.69 -0.12 0.00 0.82 0.00 0.00 66.70 66.83 1gwp h VAL 26 Cb 0.60 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 1gwp h VAL 26 CO 0.04 0.24 -0.17 0.58 0.02 0.00 0.00 177.57 178.28 1gwp h VAL 27 N 0.48 1.27 -0.05 2.57 2.07 0.05 0.78 116.25 123.41 1gwp h VAL 27 Ca 0.13 -1.33 -0.05 0.00 0.82 0.00 0.00 66.70 66.27 1gwp h VAL 27 Cb 0.25 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1gwp h VAL 27 CO -0.00 0.46 -0.18 -0.08 0.02 0.00 0.00 177.57 177.78 1gwp h GLU 28 N 0.85 0.08 0.03 1.57 4.81 -0.06 1.59 114.58 123.45 1gwp h GLU 28 Ca 0.12 -0.02 -0.29 0.00 -0.13 0.00 0.00 59.36 59.04 1gwp h GLU 28 Cb 0.74 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.08 1gwp h GLU 28 CO 0.06 0.27 -1.58 1.49 -0.73 0.00 0.00 179.01 178.52 1gwp h GLU 29 N 0.08 0.07 0.00 1.92 4.57 -0.18 -3.44 114.58 117.61 1gwp h GLU 29 Ca 0.01 -0.12 0.00 0.00 -1.18 0.00 0.00 59.36 58.07 1gwp h GLU 29 Cb 0.38 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.01 1gwp h GLU 29 CO 0.03 0.77 0.00 1.63 -1.18 0.00 0.00 179.01 180.26 1gwp n LYS 30 N -3.22 0.00 -1.02 1.92 4.01 0.27 -5.07 118.16 115.04 1gwp n LYS 30 Ca -0.15 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.65 1gwp n LYS 30 Cb 1.03 -0.10 0.00 0.00 -0.51 0.00 0.00 35.03 35.45 1gwp n LYS 30 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1gwp n ALA 31 N -1.72 -1.57 -3.28 7.82 0.00 0.54 -4.67 120.51 117.63 1gwp n ALA 31 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 1gwp n ALA 31 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 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 -0.50 -2.50 -3.75 0.00 3.01 -1.26 -5.03 117.46 107.43 1gwp n PHE 32 Ca 0.00 0.86 -0.24 0.00 1.01 0.00 0.00 57.45 59.09 1gwp n PHE 32 Cb 0.16 -4.01 -0.02 0.00 -0.01 0.00 0.00 39.48 35.60 1gwp n PHE 32 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1gwp s SER 33 N -3.31 4.78 0.00 4.37 1.04 -1.26 -4.86 113.70 114.46 1gwp s SER 33 Ca 0.36 -1.03 0.24 0.00 0.48 0.00 0.00 55.95 56.00 1gwp s SER 33 Cb -0.06 -0.04 1.35 0.00 0.10 0.00 0.00 66.02 67.37 1gwp s SER 33 CO 0.76 -0.89 1.78 -0.81 0.98 0.00 0.00 173.24 175.06 1gwp n PRO 34 N -1.65 0.63 -0.17 4.02 -0.04 -1.26 -2.07 135.00 134.46 1gwp n PRO 34 Ca 0.01 0.02 0.05 0.00 -0.04 0.00 0.00 63.50 63.54 1gwp n PRO 34 Cb 0.63 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.72 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 2.78 -0.04 0.54 1.02 -1.26 -4.44 120.64 118.18 1gwp n GLU 35 Ca 0.16 -2.09 -0.00 0.00 -0.02 0.00 0.00 57.16 55.21 1gwp n GLU 35 Cb 0.11 -1.32 -0.10 0.00 -0.02 0.00 0.00 31.44 30.11 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 -0.09 0.45 -0.26 2.62 0.31 -0.88 -4.00 118.33 116.49 1gwp n VAL 36 Ca 0.11 -0.42 -0.06 0.00 -0.01 0.00 0.00 64.34 63.96 1gwp n VAL 36 Cb 0.48 -0.27 0.05 0.00 -0.91 0.00 0.00 33.84 33.19 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 1.22 -0.02 2.52 2.04 -1.77 0.34 117.51 121.84 1gwp h ILE 37 Ca -0.18 -0.54 -0.19 0.00 1.00 0.00 0.00 64.86 64.95 1gwp h ILE 37 Cb 1.22 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 1gwp h ILE 37 CO 0.01 0.24 -0.82 1.55 0.00 0.00 0.00 178.15 179.13 1gwp h PRO 38 N 0.98 0.24 -0.29 2.37 0.13 -1.82 -1.61 132.00 132.00 1gwp h PRO 38 Ca 0.25 -0.24 -0.15 0.00 -0.87 0.00 0.00 66.00 65.00 1gwp h PRO 38 Cb 0.03 0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.21 1gwp h PRO 38 CO -0.04 0.93 -0.41 0.52 -0.23 0.00 0.00 178.00 178.77 1gwp h MET 39 N 0.15 0.72 -0.07 0.86 2.86 -1.58 -1.11 114.93 116.75 1gwp h MET 39 Ca -0.04 -0.38 -0.15 0.00 -2.06 0.00 0.00 59.70 57.07 1gwp h MET 39 Cb 1.42 0.01 0.01 0.00 0.06 0.00 0.00 31.60 33.10 1gwp h MET 39 CO 0.13 0.99 -0.54 0.35 1.06 0.00 0.00 176.91 178.91 1gwp h PHE 40 N 0.59 0.68 -0.68 -0.22 3.57 -0.32 0.89 116.94 121.44 1gwp h PHE 40 Ca 0.05 -0.32 -0.01 0.00 3.53 0.00 0.00 57.97 61.21 1gwp h PHE 40 Cb 0.95 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.56 1gwp h PHE 40 CO 0.05 1.11 0.37 0.66 -2.23 0.00 0.00 178.31 178.26 1gwp h SER 41 N 0.07 0.86 0.35 0.41 4.64 -1.29 -1.01 113.55 117.58 1gwp h SER 41 Ca -0.05 -0.10 -0.17 0.00 -0.47 0.00 0.00 61.79 61.01 1gwp h SER 41 Cb 1.20 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 63.06 1gwp h SER 41 CO 0.11 0.71 -0.68 0.00 -0.87 0.00 0.00 176.83 176.10 1gwp h ALA 42 N 1.18 0.71 -0.60 5.18 0.00 -1.23 -0.89 119.26 123.61 1gwp h ALA 42 Ca 0.24 -0.59 0.03 0.00 0.00 0.00 0.00 54.91 54.59 1gwp h ALA 42 Cb 0.05 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1gwp h ALA 42 CO -0.04 0.77 0.36 -0.07 0.00 0.00 0.00 179.25 180.27 1gwp h LEU 43 N 0.21 0.58 0.00 0.00 3.38 -0.14 -3.34 115.31 115.99 1gwp h LEU 43 Ca -0.02 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1gwp h LEU 43 Cb 1.23 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1gwp h LEU 43 CO 0.11 0.40 0.00 -0.24 0.09 0.00 0.00 178.44 178.80 1gwp n SER 44 N -4.75 0.00 0.00 -0.43 2.88 -0.45 -4.91 113.62 105.97 1gwp n SER 44 Ca 0.06 0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 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 -0.48 0.00 0.00 -1.46 0.00 -0.35 -4.01 120.64 114.35 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 -0.42 0.00 0.00 0.00 0.00 0.00 31.44 31.02 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 -1.05 0.00 3.77 8.31 0.00 -1.26 -4.68 105.19 110.28 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 2.09 0.87 4.61 0.00 -1.26 -4.35 121.76 123.73 1gwp s ALA 47 Ca 0.00 0.04 -0.03 0.00 0.00 0.00 0.00 51.96 51.97 1gwp s ALA 47 Cb 0.00 -3.20 0.05 0.00 0.00 0.00 0.00 23.12 19.97 1gwp s ALA 47 CO 0.00 -1.87 0.33 0.25 0.00 0.00 0.00 175.76 174.48 1gwp n THR 48 N -3.56 0.00 0.08 0.00 -2.24 -1.26 -4.43 114.28 102.87 1gwp n THR 48 Ca 0.08 -0.30 -0.08 0.00 -2.27 0.00 0.00 64.05 61.48 1gwp n THR 48 Cb 0.54 -1.72 0.02 0.00 -2.10 0.00 0.00 70.33 67.08 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 0.21 0.02 -0.78 0.13 -1.91 -1.58 132.00 128.09 1gwp h PRO 49 Ca -0.11 -0.20 -0.25 0.00 -0.87 0.00 0.00 66.00 64.57 1gwp h PRO 49 Cb 0.32 0.05 0.01 0.00 0.13 0.00 0.00 31.00 31.51 1gwp h PRO 49 CO 0.08 0.91 -1.02 0.37 -0.23 0.00 0.00 178.00 178.11 1gwp h GLN 50 N 0.13 0.49 0.46 0.86 5.75 -1.95 0.37 115.11 121.22 1gwp h GLN 50 Ca -0.03 -0.55 -0.02 0.00 -0.15 0.00 0.00 58.65 57.89 1gwp h GLN 50 Cb 1.40 0.16 0.00 0.00 1.07 0.00 0.00 27.48 30.12 1gwp h GLN 50 CO 0.12 1.19 -0.22 -0.44 -2.65 0.00 0.00 178.83 176.83 1gwp h ASP 51 N 0.26 -0.52 -0.77 -0.69 5.19 -1.92 -0.39 116.42 117.58 1gwp h ASP 51 Ca -0.11 -0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.22 1gwp h ASP 51 Cb 1.67 0.14 -0.04 0.00 0.18 0.00 0.00 39.33 41.27 1gwp h ASP 51 CO 0.18 -0.14 0.49 -0.07 -3.12 0.00 0.00 179.24 176.58 1gwp h LEU 52 N -0.99 0.90 -0.83 1.55 3.38 -1.39 -1.11 115.31 116.81 1gwp h LEU 52 Ca -0.06 -0.04 0.08 0.00 0.09 0.00 0.00 57.88 57.95 1gwp h LEU 52 Cb 0.58 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 41.04 1gwp h LEU 52 CO 0.10 0.67 0.49 -1.13 0.09 0.00 0.00 178.44 178.66 1gwp h ASN 53 N 1.04 0.73 -0.31 -0.43 -1.24 -0.90 0.78 115.58 115.26 1gwp h ASN 53 Ca 0.28 0.04 -0.02 0.00 0.71 0.00 0.00 56.30 57.31 1gwp h ASN 53 Cb -0.08 -0.11 -0.01 0.00 0.73 0.00 0.00 38.32 38.84 1gwp h ASN 53 CO -0.06 0.43 0.12 0.74 -1.29 0.00 0.00 177.43 177.37 1gwp h THR 54 N 0.85 1.18 -0.33 -3.57 2.02 -0.08 0.24 112.91 113.22 1gwp h THR 54 Ca 0.39 -0.57 -0.00 0.00 0.77 0.00 0.00 66.41 67.00 1gwp h THR 54 Cb 0.30 0.99 -0.02 0.00 -1.74 0.00 0.00 68.15 67.68 1gwp h THR 54 CO -0.22 0.20 0.20 0.24 0.37 0.00 0.00 175.52 176.30 1gwp h MET 55 N 0.34 0.44 -0.01 6.66 2.86 -0.18 0.42 114.93 125.46 1gwp h MET 55 Ca 0.10 -0.03 -0.09 0.00 -2.06 0.00 0.00 59.70 57.62 1gwp h MET 55 Cb 0.19 -0.10 0.01 0.00 0.06 0.00 0.00 31.60 31.77 1gwp h MET 55 CO -0.01 0.31 -0.36 -0.07 1.06 0.00 0.00 176.91 177.84 1gwp h LEU 56 N 0.45 0.33 -1.76 1.22 3.38 -0.43 -3.13 115.31 115.37 1gwp h LEU 56 Ca 0.12 -0.76 -0.03 0.00 0.09 0.00 0.00 57.88 57.30 1gwp h LEU 56 Cb -0.02 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 1gwp h LEU 56 CO -0.02 1.05 -0.13 -1.13 0.09 0.00 0.00 178.44 178.29 1gwp h ASN 57 N -0.36 0.00 -0.79 -0.43 -0.73 -0.03 -1.61 115.58 111.64 1gwp h ASN 57 Ca -0.04 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.11 1gwp h ASN 57 Cb 1.10 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 39.65 1gwp h ASN 57 CO 0.07 0.13 0.44 0.74 -0.37 0.00 0.00 177.43 178.44 1gwp h THR 58 N 0.00 1.23 -1.71 -3.57 2.02 -0.15 -3.44 112.91 107.30 1gwp h THR 58 Ca -0.00 -0.56 -0.50 0.00 0.77 0.00 0.00 66.41 66.12 1gwp h THR 58 Cb 0.24 0.15 0.25 0.00 -1.74 0.00 0.00 68.15 67.04 1gwp h THR 58 CO 0.02 0.26 -2.00 0.55 0.37 0.00 0.00 175.52 174.71 1gwp n VAL 59 N -4.35 0.00 0.00 3.16 3.14 -0.61 -4.88 118.33 114.79 1gwp n VAL 59 Ca 0.08 -0.18 0.00 0.00 -2.96 0.00 0.00 64.34 61.28 1gwp n VAL 59 Cb 0.09 -0.20 0.00 0.00 -1.06 0.00 0.00 33.84 32.68 1gwp n VAL 59 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1gwp n GLY 60 N 2.98 -2.75 0.00 7.55 0.00 -1.26 -4.91 105.19 106.79 1gwp n GLY 60 Ca -0.01 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1gwp n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gwp n GLY 61 N -0.95 -0.75 3.53 -0.02 0.00 -1.26 -5.12 105.19 100.63 1gwp n GLY 61 Ca 0.00 0.20 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 2.79 0.24 1.61 3.76 -1.26 -4.88 115.29 117.54 1gwp s HIS 62 Ca 0.00 0.08 -0.01 0.00 -0.15 0.00 0.00 55.06 54.98 1gwp s HIS 62 Cb 0.00 -4.11 0.27 0.00 1.11 0.00 0.00 32.58 29.85 1gwp s HIS 62 CO 0.00 -1.35 1.64 0.37 -0.85 0.00 0.00 174.74 174.55 1gwp h GLN 63 N 9.31 0.57 0.02 1.40 4.15 -1.99 0.19 115.11 128.75 1gwp h GLN 63 Ca -0.26 -0.26 -0.00 0.00 0.77 0.00 0.00 58.65 58.91 1gwp h GLN 63 Cb 1.07 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.75 1gwp h GLN 63 CO 1.09 0.83 -0.01 0.00 -1.93 0.00 0.00 178.83 178.81 1gwp h ALA 64 N 1.16 -0.02 0.37 3.38 0.00 -1.98 0.41 119.26 122.57 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 0.80 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1gwp h ALA 64 CO 0.07 -0.30 -0.18 0.00 0.00 0.00 0.00 179.25 178.84 1gwp h ALA 65 N 0.54 -0.49 -0.74 0.00 0.00 -1.95 -1.13 119.26 115.49 1gwp h ALA 65 Ca -0.00 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.82 1gwp h ALA 65 Cb 0.42 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 1gwp h ALA 65 CO 0.00 -0.76 0.48 0.52 0.00 0.00 0.00 179.25 179.50 1gwp h MET 66 N -0.53 0.87 0.24 0.00 2.07 -0.66 -1.05 114.93 115.87 1gwp h MET 66 Ca -0.05 -0.05 -0.01 0.00 -2.07 0.00 0.00 59.70 57.52 1gwp h MET 66 Cb 0.40 -0.20 -0.00 0.00 -1.87 0.00 0.00 31.60 29.93 1gwp h MET 66 CO 0.08 0.58 -0.15 0.37 1.07 0.00 0.00 176.91 178.86 1gwp h GLN 67 N 0.90 -0.36 -0.94 1.72 4.15 0.24 0.23 115.11 121.04 1gwp h GLN 67 Ca 0.29 0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.75 1gwp h GLN 67 Cb 0.05 0.08 -0.05 0.00 0.21 0.00 0.00 27.48 27.77 1gwp h GLN 67 CO -0.08 -0.24 0.62 0.52 -1.93 0.00 0.00 178.83 177.72 1gwp h MET 68 N -0.38 1.22 -0.35 1.69 2.86 -0.76 -0.73 114.93 118.49 1gwp h MET 68 Ca -0.02 -0.07 -0.05 0.00 -2.06 0.00 0.00 59.70 57.49 1gwp h MET 68 Cb 0.32 -0.28 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 1gwp h MET 68 CO 0.02 0.81 -0.01 1.25 1.06 0.00 0.00 176.91 180.03 1gwp h LEU 69 N 1.26 0.52 -0.07 1.22 6.46 -0.83 -0.44 115.31 123.43 1gwp h LEU 69 Ca 0.35 -0.11 -0.01 0.00 -0.12 0.00 0.00 57.88 58.00 1gwp h LEU 69 Cb -0.12 -0.14 -0.00 0.00 -0.73 0.00 0.00 40.66 39.67 1gwp h LEU 69 CO -0.08 0.61 0.01 0.50 -0.62 0.00 0.00 178.44 178.85 1gwp h LYS 70 N 0.53 0.12 -0.67 1.25 3.64 0.68 0.02 116.57 122.14 1gwp h LYS 70 Ca 0.11 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.48 1gwp h LYS 70 Cb 0.36 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.13 1gwp h LYS 70 CO 0.01 0.34 0.43 0.93 -2.27 0.00 0.00 179.45 178.89 1gwp h GLU 71 N -0.12 0.82 0.98 1.90 5.08 -0.83 -0.95 114.58 121.46 1gwp h GLU 71 Ca 0.02 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.28 1gwp h GLU 71 Cb 0.28 -0.19 0.01 0.00 0.50 0.00 0.00 28.75 29.36 1gwp h GLU 71 CO 0.00 0.54 -0.47 1.15 -1.00 0.00 0.00 179.01 179.23 1gwp h THR 72 N 0.85 0.00 -0.84 1.13 2.02 -0.92 -0.07 112.91 115.08 1gwp h THR 72 Ca 0.26 -0.01 0.21 0.00 0.77 0.00 0.00 66.41 67.64 1gwp h THR 72 Cb -0.02 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 66.25 1gwp h THR 72 CO -0.09 0.00 0.16 0.40 0.37 0.00 0.00 175.52 176.36 1gwp h ILE 73 N -1.33 0.33 -1.00 3.11 2.04 -0.85 1.23 117.51 121.04 1gwp h ILE 73 Ca -0.13 -0.06 0.02 0.00 1.00 0.00 0.00 64.86 65.69 1gwp h ILE 73 Cb 1.01 0.14 -0.05 0.00 -0.74 0.00 0.00 36.82 37.17 1gwp h ILE 73 CO 0.22 0.03 0.66 -1.13 0.00 0.00 0.00 178.15 177.93 1gwp h ASN 74 N 0.18 1.12 0.76 1.72 -0.73 -0.89 -0.73 115.58 117.02 1gwp h ASN 74 Ca 0.50 -0.02 -0.04 0.00 1.87 0.00 0.00 56.30 58.61 1gwp h ASN 74 Cb 0.96 -0.27 0.01 0.00 0.27 0.00 0.00 38.32 39.29 1gwp h ASN 74 CO -0.65 0.79 -0.37 -0.08 -0.37 0.00 0.00 177.43 176.75 1gwp h GLU 75 N 1.32 -0.99 -1.03 6.67 4.81 0.33 -1.43 114.58 124.26 1gwp h GLU 75 Ca 0.38 0.07 0.29 0.00 -0.13 0.00 0.00 59.36 59.97 1gwp h GLU 75 Cb -0.09 0.22 -0.13 0.00 0.63 0.00 0.00 28.75 29.39 1gwp h GLU 75 CO -0.10 -0.65 0.61 1.49 -0.73 0.00 0.00 179.01 179.62 1gwp h GLU 76 N -1.26 0.41 0.20 1.92 4.57 -0.29 0.34 114.58 120.47 1gwp h GLU 76 Ca -0.10 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.04 1gwp h GLU 76 Cb 0.79 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.29 1gwp h GLU 76 CO 0.17 0.27 -0.10 0.00 -1.18 0.00 0.00 179.01 178.17 1gwp h ALA 77 N 1.76 -0.27 -0.38 2.92 0.00 -0.98 0.20 119.26 122.51 1gwp h ALA 77 Ca 0.69 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 55.55 1gwp h ALA 77 Cb 1.53 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 19.36 1gwp h ALA 77 CO -0.51 -0.58 -0.04 0.00 0.00 0.00 0.00 179.25 178.12 1gwp h ALA 78 N 0.34 0.31 -0.89 0.00 0.00 0.65 0.10 119.26 119.78 1gwp h ALA 78 Ca -0.03 0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.03 1gwp h ALA 78 Cb 0.32 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 1gwp h ALA 78 CO 0.05 -0.42 0.59 1.49 0.00 0.00 0.00 179.25 180.95 1gwp h GLU 79 N 0.06 1.13 0.68 0.00 4.57 -0.55 0.54 114.58 121.01 1gwp h GLU 79 Ca 0.18 -0.07 -0.03 0.00 -1.18 0.00 0.00 59.36 58.27 1gwp h GLU 79 Cb 0.27 -0.25 -0.00 0.00 -0.16 0.00 0.00 28.75 28.60 1gwp h GLU 79 CO -0.34 0.75 -0.39 2.35 -1.18 0.00 0.00 179.01 180.20 1gwp h TRP 80 N 1.16 -1.03 0.00 0.92 2.91 0.14 -0.50 115.95 119.56 1gwp h TRP 80 Ca 0.34 -0.01 -0.00 0.00 1.13 0.00 0.00 58.89 60.34 1gwp h TRP 80 Cb -0.07 0.36 -0.00 0.00 -0.51 0.00 0.00 29.16 28.94 1gwp h TRP 80 CO -0.00 -0.60 -0.02 0.22 -1.03 0.00 0.00 178.44 177.01 1gwp h ASP 81 N -1.00 0.00 -0.66 2.65 1.82 -0.47 1.65 116.42 120.40 1gwp h ASP 81 Ca -0.09 0.00 0.01 0.00 -0.39 0.00 0.00 57.03 56.56 1gwp h ASP 81 Cb 0.80 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.77 1gwp h ASP 81 CO 0.11 0.02 0.43 -0.09 -1.61 0.00 0.00 179.24 178.10 1gwp h ARG 82 N 0.00 0.87 -0.00 0.28 2.43 0.11 -2.28 114.38 115.79 1gwp h ARG 82 Ca -0.00 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1gwp h ARG 82 Cb 0.03 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.39 1gwp h ARG 82 CO 0.00 0.58 -0.81 1.47 -1.51 0.00 0.00 179.97 179.71 1gwp n LEU 83 N -4.62 0.92 -4.05 3.80 -0.00 -0.29 -4.70 117.00 108.06 1gwp n LEU 83 Ca 0.05 -0.37 -0.33 0.00 -0.00 0.00 0.00 56.01 55.36 1gwp n LEU 83 Cb 0.02 -0.07 -0.13 0.00 -0.00 0.00 0.00 43.42 43.24 1gwp n LEU 83 CO 0.36 0.22 -0.21 -1.00 -0.00 0.00 0.00 177.39 176.76 1gwp s HIS 84 N -2.95 3.58 0.32 1.47 3.76 0.55 -5.08 115.29 116.94 1gwp s HIS 84 Ca 0.10 -2.81 -0.27 0.00 -0.15 0.00 0.00 55.06 51.92 1gwp s HIS 84 Cb 0.17 -3.04 -0.09 0.00 1.11 0.00 0.00 32.58 30.72 1gwp s HIS 84 CO 0.79 -0.91 1.07 -1.25 -0.85 0.00 0.00 174.74 173.59 1gwp s PRO 85 N 0.67 4.46 -1.11 8.40 0.04 -1.24 -4.26 135.00 141.96 1gwp s PRO 85 Ca 0.12 1.67 -0.07 0.00 0.04 0.00 0.00 61.00 62.76 1gwp s PRO 85 Cb -0.21 -2.94 0.29 0.00 0.04 0.00 0.00 34.50 31.67 1gwp s PRO 85 CO -0.05 0.09 1.28 0.28 0.04 0.00 0.00 177.00 178.65 1gwp n VAL 86 N 0.71 4.87 -3.10 -0.36 0.31 -1.26 -4.95 118.33 114.55 1gwp n VAL 86 Ca 0.01 -5.57 -0.45 0.00 -0.01 0.00 0.00 64.34 58.32 1gwp n VAL 86 Cb 0.47 -2.38 -0.02 0.00 -0.91 0.00 0.00 33.84 31.00 1gwp n VAL 86 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 1gwp s HIS 87 N -1.78 3.50 -0.28 3.52 3.76 -1.26 -4.91 115.29 117.84 1gwp s HIS 87 Ca 0.31 -1.83 -0.01 0.00 -0.15 0.00 0.00 55.06 53.38 1gwp s HIS 87 Cb -0.04 -4.09 0.13 0.00 1.11 0.00 0.00 32.58 29.69 1gwp s HIS 87 CO -0.00 -1.26 0.28 0.00 -0.85 0.00 0.00 174.74 172.90 1gwp s ALA 88 N 1.31 -0.40 0.00 -1.40 0.00 -1.26 -5.05 121.76 114.96 1gwp s ALA 88 Ca 0.29 -0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.03 1gwp s ALA 88 Cb -0.07 -1.70 0.00 0.00 0.00 0.00 0.00 23.12 21.35 1gwp s ALA 88 CO -0.08 -1.62 0.00 0.41 0.00 0.00 0.00 175.76 174.48 1gwp n GLY 89 N 5.31 -0.14 2.71 0.00 0.00 -1.26 -4.79 105.19 107.02 1gwp n GLY 89 Ca -0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.59 2.46 -0.88 1.61 -0.04 -1.26 -4.92 135.00 130.37 1gwp n PRO 90 Ca 0.00 -2.01 -0.29 0.00 -0.04 0.00 0.00 63.50 61.17 1gwp n PRO 90 Cb 0.00 -2.86 0.22 0.00 -0.04 0.00 0.00 33.50 30.82 1gwp n PRO 90 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1gwp s ILE 91 N 3.54 1.92 0.29 0.52 2.07 -1.26 -5.02 121.20 123.25 1gwp s ILE 91 Ca 0.53 0.00 -0.07 0.00 -1.41 0.00 0.00 60.65 59.69 1gwp s ILE 91 Cb 0.14 -2.31 -0.06 0.00 0.13 0.00 0.00 42.46 40.36 1gwp s ILE 91 CO -0.01 0.00 0.58 0.00 -1.91 0.00 0.00 174.94 173.60 1gwp s ALA 92 N -2.74 3.57 -1.07 1.50 0.00 -1.26 -4.99 121.76 116.76 1gwp s ALA 92 Ca 0.67 -0.42 -0.22 0.00 0.00 0.00 0.00 51.96 51.99 1gwp s ALA 92 Cb -0.20 -2.40 -0.00 0.00 0.00 0.00 0.00 23.12 20.52 1gwp s ALA 92 CO 0.60 0.29 1.75 -1.25 0.00 0.00 0.00 175.76 177.15 1gwp s PRO 93 N -3.37 3.15 0.00 0.00 0.04 -1.26 -1.88 135.00 131.68 1gwp s PRO 93 Ca 0.46 -1.07 0.00 0.00 0.04 0.00 0.00 61.00 60.43 1gwp s PRO 93 Cb -0.11 -5.29 0.00 0.00 0.04 0.00 0.00 34.50 29.15 1gwp s PRO 93 CO 0.27 -2.91 0.00 0.41 0.04 0.00 0.00 177.00 174.81 1gwp n GLY 94 N 6.37 0.23 3.76 0.56 0.00 -1.26 -5.12 105.19 109.72 1gwp n GLY 94 Ca 0.41 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.04 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 4.26 0.89 1.61 -1.52 -0.79 -5.06 119.66 119.05 1gwp s GLN 95 Ca 0.00 0.57 -0.11 0.00 -1.95 0.00 0.00 55.36 53.87 1gwp s GLN 95 Cb 0.00 -3.36 0.13 0.00 -0.22 0.00 0.00 33.01 29.56 1gwp s GLN 95 CO 0.00 0.33 1.10 0.00 -0.25 0.00 0.00 175.29 176.47 1gwp s MET 96 N -0.00 1.28 1.18 2.91 0.23 -1.26 -4.73 119.30 118.90 1gwp s MET 96 Ca 0.28 1.06 -0.20 0.00 -1.03 0.00 0.00 55.69 55.80 1gwp s MET 96 Cb -0.17 -1.79 0.30 0.00 -1.53 0.00 0.00 34.83 31.64 1gwp s MET 96 CO 0.14 -2.29 0.72 0.54 -2.03 0.00 0.00 175.02 172.09 1gwp n ARG 97 N -3.95 -4.22 -3.15 3.16 1.74 -1.26 -4.99 116.66 103.99 1gwp n ARG 97 Ca 0.08 -1.20 -0.23 0.00 -0.77 0.00 0.00 57.85 55.73 1gwp n ARG 97 Cb 0.54 -1.52 -0.05 0.00 -1.02 0.00 0.00 32.46 30.42 1gwp n ARG 97 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1gwp n GLU 98 N -5.02 1.75 -1.54 5.56 -0.58 -1.26 -5.08 120.64 114.47 1gwp n GLU 98 Ca 0.11 -3.92 -0.29 0.00 -0.42 0.00 0.00 57.16 52.64 1gwp n GLU 98 Cb 0.48 -1.83 0.13 0.00 -0.57 0.00 0.00 31.44 29.65 1gwp n GLU 98 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1gwp s PRO 99 N -2.50 1.28 0.05 3.49 0.04 -1.26 -4.71 135.00 131.39 1gwp s PRO 99 Ca 0.42 0.34 0.00 0.00 0.04 0.00 0.00 61.00 61.79 1gwp s PRO 99 Cb 0.27 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.96 1gwp s PRO 99 CO -0.09 -2.11 0.00 0.54 0.04 0.00 0.00 177.00 175.38 1gwp n ARG 100 N -3.71 0.00 -3.92 4.56 5.12 -1.26 -5.01 116.66 112.43 1gwp n ARG 100 Ca 0.07 0.00 -0.34 0.00 -1.93 0.00 0.00 57.85 55.65 1gwp n ARG 100 Cb 0.59 -0.03 -0.14 0.00 -1.16 0.00 0.00 32.46 31.72 1gwp n ARG 100 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1gwp s GLY 101 N -3.91 1.87 0.00 -0.13 0.00 -1.26 -4.41 107.32 99.48 1gwp s GLY 101 Ca 0.00 -2.22 0.00 0.00 0.00 0.00 0.00 44.72 42.50 1gwp s GLY 101 CO 0.00 0.86 0.00 1.44 0.00 0.00 0.00 173.10 175.40 1gwp n SER 102 N 4.48 0.00 0.13 1.64 7.64 -1.26 -4.54 113.62 121.71 1gwp n SER 102 Ca -0.05 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.82 1gwp n SER 102 Cb 0.42 0.00 0.15 0.00 -1.01 0.00 0.00 64.21 63.77 1gwp n SER 102 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 1gwp h ASP 103 N 0.00 0.00 -0.59 6.43 5.19 -1.95 -2.85 116.42 122.64 1gwp h ASP 103 Ca 0.00 0.00 0.17 0.00 -0.62 0.00 0.00 57.03 56.58 1gwp h ASP 103 Cb 0.00 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.49 1gwp h ASP 103 CO 0.00 0.63 0.51 0.40 -3.12 0.00 0.00 179.24 177.66 1gwp h ILE 104 N 0.00 0.49 0.00 0.35 2.04 -1.91 1.29 117.51 119.77 1gwp h ILE 104 Ca -0.01 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.74 1gwp h ILE 104 Cb 1.17 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 1gwp h ILE 104 CO 0.08 0.00 -1.02 0.00 0.00 0.00 0.00 178.15 177.21 1gwp h ALA 105 N 1.54 0.65 0.00 1.87 0.00 -1.87 -3.45 119.26 118.01 1gwp h ALA 105 Ca 0.28 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1gwp h ALA 105 Cb 1.29 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1gwp h ALA 105 CO -0.00 0.65 0.00 0.41 0.00 0.00 0.00 179.25 180.31 1gwp n GLY 106 N 1.30 0.83 0.30 0.00 0.00 0.44 -4.95 105.19 103.12 1gwp n GLY 106 Ca -0.04 -0.62 -0.06 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.75 -3.28 112.91 113.77 1gwp h THR 107 Ca 0.00 -1.08 0.00 0.00 0.77 0.00 0.00 66.41 66.10 1gwp h THR 107 Cb 0.44 0.83 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 1gwp h THR 107 CO 0.00 0.39 -0.49 0.41 0.37 0.00 0.00 175.52 176.20 1gwp n THR 108 N -4.20 0.00 -4.35 3.16 -1.04 -1.26 -5.03 114.28 101.56 1gwp n THR 108 Ca 0.03 -0.31 -0.23 0.00 -2.04 0.00 0.00 64.05 61.50 1gwp n THR 108 Cb 0.32 0.81 -0.08 0.00 -1.82 0.00 0.00 70.33 69.55 1gwp n THR 108 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1gwp s SER 109 N -1.66 4.22 0.49 8.00 1.04 -1.24 -5.12 113.70 119.43 1gwp s SER 109 Ca 0.00 -0.80 0.06 0.00 0.48 0.00 0.00 55.95 55.69 1gwp s SER 109 Cb 0.02 -0.64 0.06 0.00 0.10 0.00 0.00 66.02 65.56 1gwp s SER 109 CO 0.13 -0.02 0.47 0.35 0.98 0.00 0.00 173.24 175.15 1gwp n THR 110 N -0.83 0.00 0.04 2.02 -2.24 -1.26 -4.30 114.28 107.71 1gwp n THR 110 Ca -0.06 -1.83 -0.10 0.00 -2.27 0.00 0.00 64.05 59.79 1gwp n THR 110 Cb 0.60 -0.25 -0.04 0.00 -2.10 0.00 0.00 70.33 68.54 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 -0.54 -0.78 3.22 5.85 -1.98 -0.30 115.31 120.78 1gwp h LEU 111 Ca -0.28 0.08 0.18 0.00 0.84 0.00 0.00 57.88 58.70 1gwp h LEU 111 Cb 1.10 0.23 -0.13 0.00 0.37 0.00 0.00 40.66 42.23 1gwp h LEU 111 CO 0.43 -0.24 0.03 1.56 -0.34 0.00 0.00 178.44 179.88 1gwp h GLN 112 N -0.27 0.11 -0.68 1.25 4.20 -1.99 0.76 115.11 118.49 1gwp h GLN 112 Ca 0.07 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.73 1gwp h GLN 112 Cb 0.37 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.09 1gwp h GLN 112 CO -0.20 0.07 0.27 0.93 -0.67 0.00 0.00 178.83 179.23 1gwp h GLU 113 N 0.11 1.01 -0.46 1.46 4.39 -1.69 -1.20 114.58 118.21 1gwp h GLU 113 Ca 0.43 -0.17 -0.09 0.00 0.34 0.00 0.00 59.36 59.87 1gwp h GLU 113 Cb 0.78 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 29.24 1gwp h GLU 113 CO -0.68 0.82 -0.07 1.96 -1.16 0.00 0.00 179.01 179.88 1gwp h GLN 114 N 0.99 0.81 -0.63 2.33 7.50 0.20 -1.48 115.11 124.82 1gwp h GLN 114 Ca 0.23 -0.26 -0.08 0.00 0.50 0.00 0.00 58.65 59.04 1gwp h GLN 114 Cb 0.20 -0.07 -0.02 0.00 0.05 0.00 0.00 27.48 27.63 1gwp h GLN 114 CO -0.02 0.86 0.08 0.82 -1.50 0.00 0.00 178.83 179.07 1gwp h ILE 115 N 0.74 1.26 0.65 2.54 1.08 0.45 0.25 117.51 124.49 1gwp h ILE 115 Ca 0.13 -1.05 -0.03 0.00 -0.39 0.00 0.00 64.86 63.52 1gwp h ILE 115 Cb 0.56 0.72 0.01 0.00 -3.07 0.00 0.00 36.82 35.03 1gwp h ILE 115 CO 0.03 0.39 -0.31 1.23 -0.69 0.00 0.00 178.15 178.80 1gwp h GLY 116 N 0.96 -0.91 0.41 5.37 0.00 -0.89 1.00 103.07 109.01 1gwp h GLY 116 Ca 0.19 0.34 0.09 0.00 0.00 0.00 0.00 47.33 47.94 1gwp h GLY 116 CO 0.02 -0.33 0.21 1.49 0.00 0.00 0.00 176.54 177.93 1gwp h TRP 117 N -0.98 0.37 0.00 5.60 6.55 -1.25 0.87 115.95 127.11 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 0.70 -0.08 0.00 0.00 -0.86 0.00 0.00 29.16 28.92 1gwp h TRP 117 CO -0.01 0.10 0.00 1.98 -1.05 0.00 0.00 178.44 179.46 1gwp h MET 118 N 0.39 0.00 -0.29 0.49 4.05 -0.75 0.13 114.93 118.96 1gwp h MET 118 Ca 0.29 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.69 1gwp h MET 118 Cb 0.35 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.14 1gwp h MET 118 CO -0.30 0.00 0.00 2.41 0.23 0.00 0.00 176.91 179.26 1gwp n THR 119 N -2.82 2.34 -3.73 -0.77 -1.04 0.34 -4.25 114.28 104.36 1gwp n THR 119 Ca 0.01 -1.94 -0.23 0.00 -2.04 0.00 0.00 64.05 59.85 1gwp n THR 119 Cb 0.28 -0.27 -0.03 0.00 -1.82 0.00 0.00 70.33 68.49 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 -2.87 2.44 -0.23 -1.42 5.04 0.25 -4.92 115.29 113.58 1gwp s HIS 120 Ca 0.43 -0.59 -0.01 0.00 -1.54 0.00 0.00 55.06 53.35 1gwp s HIS 120 Cb 0.35 -2.08 0.02 0.00 0.04 0.00 0.00 32.58 30.91 1gwp s HIS 120 CO 0.08 -0.15 -0.09 -0.80 -2.34 0.00 0.00 174.74 171.44 1gwp s ASN 121 N -4.13 4.08 0.80 9.88 -0.87 -1.26 0.63 114.94 124.06 1gwp s ASN 121 Ca 0.44 -0.76 -0.11 0.00 -1.57 0.00 0.00 52.86 50.86 1gwp s ASN 121 Cb -0.02 -1.64 0.07 0.00 -0.02 0.00 0.00 41.25 39.65 1gwp s ASN 121 CO 0.26 -0.08 1.10 -2.16 -2.57 0.00 0.00 177.10 173.64 1gwp s PRO 122 N 1.34 2.09 -0.21 -0.60 0.04 -1.26 -5.08 135.00 131.31 1gwp s PRO 122 Ca 0.02 0.64 -0.29 0.00 0.04 0.00 0.00 61.00 61.40 1gwp s PRO 122 Cb -0.16 -1.92 -0.01 0.00 0.04 0.00 0.00 34.50 32.46 1gwp s PRO 122 CO -0.06 -1.62 1.30 -1.25 0.04 0.00 0.00 177.00 175.42 1gwp s PRO 123 N -5.16 4.10 -0.20 0.56 0.04 0.20 -4.91 135.00 129.64 1gwp s PRO 123 Ca 0.61 1.53 -0.29 0.00 0.04 0.00 0.00 61.00 62.88 1gwp s PRO 123 Cb -0.14 -3.82 -0.02 0.00 0.04 0.00 0.00 34.50 30.56 1gwp s PRO 123 CO 0.54 -0.89 1.36 0.42 0.04 0.00 0.00 177.00 178.47 1gwp s ILE 124 N 3.91 4.10 0.00 0.56 1.09 0.41 -4.87 121.20 126.39 1gwp s ILE 124 Ca 0.56 1.30 -0.03 0.00 -1.10 0.00 0.00 60.65 61.38 1gwp s ILE 124 Cb -0.20 -3.95 -0.14 0.00 -1.06 0.00 0.00 42.46 37.11 1gwp s ILE 124 CO 0.19 -0.24 2.41 -0.81 -0.10 0.00 0.00 174.94 176.39 1gwp n PRO 125 N 6.98 1.25 -0.08 2.79 -0.04 -1.26 -3.70 135.00 140.95 1gwp n PRO 125 Ca 0.15 -0.51 0.22 0.00 -0.04 0.00 0.00 63.50 63.33 1gwp n PRO 125 Cb 0.45 -1.63 0.68 0.00 -0.04 0.00 0.00 33.50 32.96 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 0.68 0.00 0.52 3.04 -1.91 0.27 116.25 120.78 1gwp h VAL 126 Ca 0.10 -0.02 0.00 0.00 -1.01 0.00 0.00 66.70 65.77 1gwp h VAL 126 Cb 1.01 0.62 0.00 0.00 -2.01 0.00 0.00 31.29 30.91 1gwp h VAL 126 CO 0.20 0.01 0.00 0.61 -1.01 0.00 0.00 177.57 177.38 1gwp n GLY 127 N -1.65 -1.49 0.40 3.17 0.00 -1.26 -1.35 105.19 103.01 1gwp n GLY 127 Ca 0.13 0.00 0.22 0.00 0.00 0.00 0.00 46.02 46.38 1gwp n GLY 127 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1gwp h GLU 128 N 0.00 0.40 0.51 1.61 5.08 -1.74 0.12 114.58 120.56 1gwp h GLU 128 Ca 0.00 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 1gwp h GLU 128 Cb 0.00 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.16 1gwp h GLU 128 CO 0.00 0.27 -0.25 0.82 -1.00 0.00 0.00 179.01 178.85 1gwp h ILE 129 N 0.42 0.00 -1.03 3.13 2.04 -0.52 -1.02 117.51 120.52 1gwp h ILE 129 Ca 0.62 -0.03 0.26 0.00 1.00 0.00 0.00 64.86 66.71 1gwp h ILE 129 Cb 1.50 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 37.48 1gwp h ILE 129 CO -0.34 0.00 0.64 0.22 0.00 0.00 0.00 178.15 178.67 1gwp h TYR 130 N -0.72 0.79 -0.33 1.37 3.20 -0.05 0.41 116.97 121.64 1gwp h TYR 130 Ca -0.07 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.83 1gwp h TYR 130 Cb 0.53 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 1gwp h TYR 130 CO 0.10 0.07 0.22 -0.22 -1.64 0.00 0.00 178.16 176.69 1gwp h LYS 131 N 0.47 0.43 -0.23 1.82 3.64 -0.58 0.46 116.57 122.59 1gwp h LYS 131 Ca 0.61 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.84 1gwp h LYS 131 Cb 1.39 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 33.10 1gwp h LYS 131 CO -0.36 0.28 -0.36 -0.09 -2.27 0.00 0.00 179.45 176.65 1gwp h ARG 132 N 0.44 0.51 0.30 1.90 2.43 0.98 -1.35 114.38 119.59 1gwp h ARG 132 Ca 0.12 -0.24 -0.01 0.00 -0.81 0.00 0.00 59.98 59.04 1gwp h ARG 132 Cb -0.04 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.51 1gwp h ARG 132 CO -0.03 0.80 -0.14 -1.49 -1.51 0.00 0.00 179.97 177.59 1gwp h TRP 133 N 0.43 -0.37 -0.84 2.20 4.06 0.21 0.51 115.95 122.15 1gwp h TRP 133 Ca 0.04 -0.01 0.19 0.00 2.06 0.00 0.00 58.89 61.18 1gwp h TRP 133 Cb 0.83 0.12 -0.15 0.00 -1.00 0.00 0.00 29.16 28.96 1gwp h TRP 133 CO 0.03 -0.23 -0.05 0.82 -3.56 0.00 0.00 178.44 175.45 1gwp h ILE 134 N -0.49 0.21 -0.58 1.49 2.04 -0.15 1.71 117.51 121.75 1gwp h ILE 134 Ca -0.04 -0.02 -0.02 0.00 1.00 0.00 0.00 64.86 65.78 1gwp h ILE 134 Cb 0.31 0.15 -0.03 0.00 -0.74 0.00 0.00 36.82 36.51 1gwp h ILE 134 CO 0.07 0.01 0.26 0.40 0.00 0.00 0.00 178.15 178.89 1gwp h ILE 135 N 0.05 1.19 -0.38 -0.67 5.03 -1.17 -1.39 117.51 120.17 1gwp h ILE 135 Ca 0.46 -0.56 0.06 0.00 -0.12 0.00 0.00 64.86 64.69 1gwp h ILE 135 Cb 0.81 0.47 -0.05 0.00 -3.03 0.00 0.00 36.82 35.02 1gwp h ILE 135 CO -0.79 0.23 0.09 0.25 -0.68 0.00 0.00 178.15 177.25 1gwp h LEU 136 N 0.81 0.03 0.03 1.44 6.46 0.77 0.62 115.31 125.48 1gwp h LEU 136 Ca 0.20 0.06 -0.00 0.00 -0.12 0.00 0.00 57.88 58.02 1gwp h LEU 136 Cb 0.10 0.08 0.00 0.00 -0.73 0.00 0.00 40.66 40.11 1gwp h LEU 136 CO -0.02 0.05 -0.01 1.23 -0.62 0.00 0.00 178.44 179.07 1gwp h GLY 137 N 0.22 -0.04 -0.02 3.75 0.00 -0.51 -1.15 103.07 105.32 1gwp h GLY 137 Ca 0.18 0.01 0.13 0.00 0.00 0.00 0.00 47.33 47.66 1gwp h GLY 137 CO -0.23 -0.01 0.07 1.41 0.00 0.00 0.00 176.54 177.78 1gwp h LEU 138 N -0.20 -0.15 -0.36 3.11 3.38 -0.81 0.55 115.31 120.82 1gwp h LEU 138 Ca -0.00 0.14 0.01 0.00 0.09 0.00 0.00 57.88 58.12 1gwp h LEU 138 Cb 0.19 0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1gwp h LEU 138 CO 0.01 -0.07 0.23 -1.13 0.09 0.00 0.00 178.44 177.56 1gwp h ASN 139 N 0.18 0.39 -0.66 -0.43 -0.73 -0.68 0.19 115.58 113.85 1gwp h ASN 139 Ca 0.34 -0.01 0.03 0.00 1.87 0.00 0.00 56.30 58.54 1gwp h ASN 139 Cb 0.56 -0.09 -0.04 0.00 0.27 0.00 0.00 38.32 39.02 1gwp h ASN 139 CO -0.50 0.28 0.44 0.50 -0.37 0.00 0.00 177.43 177.78 1gwp h LYS 140 N 0.47 0.76 -0.06 6.67 3.11 0.55 0.38 116.57 128.45 1gwp h LYS 140 Ca 0.14 -0.05 -0.01 0.00 -2.81 0.00 0.00 60.65 57.92 1gwp h LYS 140 Cb -0.04 -0.17 -0.00 0.00 -1.00 0.00 0.00 32.23 31.02 1gwp h LYS 140 CO -0.04 0.51 -0.02 0.82 -2.81 0.00 0.00 179.45 177.91 1gwp h ILE 141 N 0.79 1.29 -0.07 2.00 2.04 0.12 -2.46 117.51 121.21 1gwp h ILE 141 Ca 0.26 -0.92 -0.02 0.00 1.00 0.00 0.00 64.86 65.18 1gwp h ILE 141 Cb 0.07 1.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.93 1gwp h ILE 141 CO -0.07 0.25 -0.05 0.58 0.00 0.00 0.00 178.15 178.86 1gwp h VAL 142 N -0.22 1.08 -0.77 1.67 2.07 0.15 0.60 116.25 120.83 1gwp h VAL 142 Ca 0.02 -0.35 -0.04 0.00 0.82 0.00 0.00 66.70 67.15 1gwp h VAL 142 Cb 0.41 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 1gwp h VAL 142 CO 0.01 0.11 0.33 0.03 0.02 0.00 0.00 177.57 178.06 1gwp h ARG 143 N 0.10 1.13 0.07 1.57 3.08 0.05 -1.16 114.38 119.23 1gwp h ARG 143 Ca 0.03 -0.19 -0.17 0.00 0.07 0.00 0.00 59.98 59.71 1gwp h ARG 143 Cb 0.16 -0.19 0.02 0.00 0.08 0.00 0.00 29.97 30.03 1gwp h ARG 143 CO 0.01 0.90 -0.72 1.98 -1.07 0.00 0.00 179.97 181.07 1gwp h MET 144 N 1.11 0.36 -0.27 0.04 4.05 -0.80 -3.32 114.93 116.09 1gwp h MET 144 Ca 0.26 -0.49 0.06 0.00 -0.28 0.00 0.00 59.70 59.26 1gwp h MET 144 Cb 0.18 0.16 -0.06 0.00 -0.80 0.00 0.00 31.60 31.08 1gwp h MET 144 CO -0.03 1.18 -0.13 1.88 0.23 0.00 0.00 176.91 180.04 1gwp h TYR 145 N -0.22 -0.33 -6.44 1.39 -1.99 -0.80 -3.47 116.97 105.12 1gwp h TYR 145 Ca -0.11 0.03 -0.35 0.00 2.00 0.00 0.00 58.73 60.30 1gwp h TYR 145 Cb 1.49 0.19 0.02 0.00 2.00 0.00 0.00 36.73 40.42 1gwp h TYR 145 CO 0.17 -0.20 -1.18 0.45 -0.00 0.00 0.00 178.16 177.40 1gwp n SER 146 N -5.30 -5.42 -4.77 3.88 2.88 -0.45 -4.86 113.62 99.58 1gwp n SER 146 Ca -0.00 -0.11 -0.39 0.00 -1.33 0.00 0.00 58.87 57.04 1gwp n SER 146 Cb 0.22 -1.55 -0.04 0.00 -0.75 0.00 0.00 64.21 62.09 1gwp n SER 146 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1gwp s PRO 147 N -2.26 4.43 -0.41 -1.46 0.04 -1.26 -4.97 135.00 129.12 1gwp s PRO 147 Ca 0.34 1.65 0.06 0.00 0.04 0.00 0.00 61.00 63.10 1gwp s PRO 147 Cb -0.04 -2.90 0.32 0.00 0.04 0.00 0.00 34.50 31.93 1gwp s PRO 147 CO 0.78 0.07 1.23 -2.37 0.04 0.00 0.00 177.00 176.75 1gwp n THR 148 N 0.63 0.00 -3.65 1.26 5.66 -1.26 -5.14 114.28 111.77 1gwp n THR 148 Ca 0.02 -1.32 0.02 0.00 -3.05 0.00 0.00 64.05 59.72 1gwp n THR 148 Cb 0.47 1.20 -0.00 0.00 -1.55 0.00 0.00 70.33 70.44 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 -1.01 -0.05 0.00 1.09 0.15 -1.26 -5.16 113.70 107.47 1gwp s SER 149 Ca 0.20 -0.14 -0.13 0.00 0.70 0.00 0.00 55.95 56.59 1gwp s SER 149 Cb 0.31 0.15 -0.05 0.00 -1.71 0.00 0.00 66.02 64.72 1gwp s SER 149 CO -0.08 -0.29 0.37 -0.51 1.20 0.00 0.00 173.24 173.93 1gwp s ILE 150 N -2.36 5.11 0.00 6.45 2.07 -1.26 -5.28 121.20 125.92 1gwp s ILE 150 Ca 0.16 0.67 0.00 0.00 -1.41 0.00 0.00 60.65 60.06 1gwp s ILE 150 Cb 0.04 -3.66 0.00 0.00 0.13 0.00 0.00 42.46 38.98 1gwp s ILE 150 CO -0.04 0.52 0.00 0.18 -1.91 0.00 0.00 174.94 173.69