#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 3.52 0.15 0.52 1.01 -1.23 -1.62 121.20 123.54 1gwp s ILE 2 Ca 0.00 -0.78 0.01 0.00 0.00 0.00 0.00 60.65 59.89 1gwp s ILE 2 Cb 0.00 -2.50 -0.04 0.00 0.01 0.00 0.00 42.46 39.92 1gwp s ILE 2 CO 0.00 0.43 -0.00 0.68 0.00 0.00 0.00 174.94 176.05 1gwp s VAL 3 N -0.94 0.58 -0.24 2.92 -7.23 0.23 -4.99 120.40 110.72 1gwp s VAL 3 Ca 0.16 -1.96 -0.09 0.00 -1.81 0.00 0.00 61.98 58.29 1gwp s VAL 3 Cb -0.11 -2.01 -0.04 0.00 0.56 0.00 0.00 36.38 34.79 1gwp s VAL 3 CO 0.06 -0.57 0.11 -1.10 -0.31 0.00 0.00 175.10 173.29 1gwp s GLN 4 N -3.92 3.83 1.00 4.82 -0.21 -1.26 -1.57 119.66 122.35 1gwp s GLN 4 Ca 0.21 -0.39 -0.14 0.00 0.02 0.00 0.00 55.36 55.05 1gwp s GLN 4 Cb 0.06 -3.41 0.14 0.00 1.00 0.00 0.00 33.01 30.80 1gwp s GLN 4 CO 0.02 -0.08 0.17 0.09 -2.12 0.00 0.00 175.29 173.37 1gwp n ASN 5 N 4.65 -2.88 0.02 5.90 3.02 0.19 -4.89 115.26 121.27 1gwp n ASN 5 Ca -0.16 -0.32 -0.20 0.00 -0.03 0.00 0.00 54.58 53.88 1gwp n ASN 5 Cb 0.52 -0.76 -0.14 0.00 -0.61 0.00 0.00 39.78 38.78 1gwp n ASN 5 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1gwp h LEU 6 N -2.50 0.39 0.91 3.41 6.46 -1.98 -3.38 115.31 118.62 1gwp h LEU 6 Ca -0.28 -0.92 -0.04 0.00 -0.12 0.00 0.00 57.88 56.52 1gwp h LEU 6 Cb 0.84 -0.13 0.01 0.00 -0.73 0.00 0.00 40.66 40.65 1gwp h LEU 6 CO 0.18 1.42 -0.44 1.56 -0.62 0.00 0.00 178.44 180.54 1gwp h GLN 7 N -0.43 -1.18 0.00 1.25 7.50 -2.06 -3.47 115.11 116.73 1gwp h GLN 7 Ca -0.18 0.08 0.00 0.00 0.50 0.00 0.00 58.65 59.05 1gwp h GLN 7 Cb 1.61 0.27 0.00 0.00 0.05 0.00 0.00 27.48 29.41 1gwp h GLN 7 CO 0.10 -0.78 0.00 0.41 -1.50 0.00 0.00 178.83 177.06 1gwp n GLY 8 N -1.48 -1.20 3.45 3.46 0.00 -1.26 -5.19 105.19 102.96 1gwp n GLY 8 Ca -0.15 0.53 -0.13 0.00 0.00 0.00 0.00 46.02 46.26 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 1.21 -0.24 1.61 -0.21 -1.26 -4.97 119.66 115.80 1gwp s GLN 9 Ca 0.00 -0.30 -0.08 0.00 0.02 0.00 0.00 55.36 55.00 1gwp s GLN 9 Cb 0.00 0.56 -0.03 0.00 1.00 0.00 0.00 33.01 34.53 1gwp s GLN 9 CO 0.00 -0.50 0.09 -1.64 -2.12 0.00 0.00 175.29 171.12 1gwp s MET 10 N -3.14 3.75 0.04 2.91 -1.94 -1.26 0.54 119.30 120.19 1gwp s MET 10 Ca -0.01 -0.43 -0.02 0.00 -1.71 0.00 0.00 55.69 53.52 1gwp s MET 10 Cb -0.01 -3.35 -0.03 0.00 2.01 0.00 0.00 34.83 33.46 1gwp s MET 10 CO -0.08 -0.11 0.00 0.14 -0.01 0.00 0.00 175.02 174.97 1gwp s VAL 11 N 1.42 0.16 0.25 -6.03 -7.23 -0.61 -4.97 120.40 103.38 1gwp s VAL 11 Ca 0.06 -1.28 0.06 0.00 -1.81 0.00 0.00 61.98 59.01 1gwp s VAL 11 Cb -0.15 -0.88 -0.03 0.00 0.56 0.00 0.00 36.38 35.88 1gwp s VAL 11 CO 0.04 -0.71 0.25 -1.38 -0.31 0.00 0.00 175.10 172.99 1gwp s HIS 12 N -2.64 3.22 -0.30 2.82 -3.43 -1.26 -0.61 115.29 113.09 1gwp s HIS 12 Ca -0.05 -0.08 0.08 0.00 -0.80 0.00 0.00 55.06 54.21 1gwp s HIS 12 Cb -0.01 -1.46 0.46 0.00 -1.43 0.00 0.00 32.58 30.14 1gwp s HIS 12 CO -0.05 0.50 1.18 0.00 -2.00 0.00 0.00 174.74 174.36 1gwp n GLN 13 N -1.25 3.46 -0.24 -0.38 10.64 -0.64 -4.92 117.38 124.06 1gwp n GLN 13 Ca -0.08 -4.13 0.03 0.00 -1.83 0.00 0.00 57.00 50.99 1gwp n GLN 13 Cb 0.58 -2.23 -0.01 0.00 -0.86 0.00 0.00 30.24 27.72 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 -0.69 -1.22 -1.54 2.61 0.00 -1.26 -4.79 120.51 113.61 1gwp n ALA 14 Ca 0.41 0.08 -0.12 0.00 0.00 0.00 0.00 53.44 53.80 1gwp n ALA 14 Cb 0.94 -0.37 0.12 0.00 0.00 0.00 0.00 19.45 20.14 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 -1.24 0.00 -4.29 0.00 3.06 -1.26 -4.07 119.36 111.56 1gwp n ILE 15 Ca 0.00 -0.56 -0.21 0.00 -2.50 0.00 0.00 62.75 59.48 1gwp n ILE 15 Cb 0.11 -1.71 -0.13 0.00 0.54 0.00 0.00 39.64 38.46 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 -3.75 1.97 0.11 9.51 0.15 -1.26 -5.02 113.70 115.41 1gwp s SER 16 Ca 0.43 -0.59 -0.09 0.00 0.70 0.00 0.00 55.95 56.40 1gwp s SER 16 Cb -0.01 -0.10 -0.14 0.00 -1.71 0.00 0.00 66.02 64.06 1gwp s SER 16 CO 0.30 0.01 1.28 1.55 1.20 0.00 0.00 173.24 177.58 1gwp h PRO 17 N 4.45 0.60 -0.21 5.44 0.13 -1.99 -1.54 132.00 138.89 1gwp h PRO 17 Ca -0.42 -0.58 -0.09 0.00 -0.87 0.00 0.00 66.00 64.04 1gwp h PRO 17 Cb 1.18 0.15 -0.01 0.00 0.13 0.00 0.00 31.00 32.45 1gwp h PRO 17 CO 0.41 1.20 -0.25 -0.09 -0.23 0.00 0.00 178.00 179.04 1gwp h ARG 18 N 0.36 0.39 0.04 0.86 1.12 -1.98 0.34 114.38 115.52 1gwp h ARG 18 Ca -0.08 -0.14 -0.00 0.00 -1.11 0.00 0.00 59.98 58.64 1gwp h ARG 18 Cb 1.55 -0.03 0.00 0.00 -0.01 0.00 0.00 29.97 31.48 1gwp h ARG 18 CO 0.17 0.62 -0.02 1.15 -3.11 0.00 0.00 179.97 178.78 1gwp h THR 19 N 0.34 1.34 -0.85 0.20 2.02 -1.97 -1.46 112.91 112.53 1gwp h THR 19 Ca 0.05 -1.50 -0.03 0.00 0.77 0.00 0.00 66.41 65.71 1gwp h THR 19 Cb 0.63 2.29 -0.04 0.00 -1.74 0.00 0.00 68.15 69.29 1gwp h THR 19 CO 0.05 0.36 0.43 -0.07 0.37 0.00 0.00 175.52 176.66 1gwp h LEU 20 N -0.75 1.09 1.01 2.58 3.38 -1.23 0.21 115.31 121.60 1gwp h LEU 20 Ca -0.01 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 1gwp h LEU 20 Cb 0.64 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 41.12 1gwp h LEU 20 CO 0.01 0.91 -0.48 -1.13 0.09 0.00 0.00 178.44 177.83 1gwp h ASN 21 N 1.20 -1.14 -0.63 -0.43 -1.24 -0.36 0.23 115.58 113.20 1gwp h ASN 21 Ca 0.29 0.04 0.11 0.00 0.71 0.00 0.00 56.30 57.45 1gwp h ASN 21 Cb 0.09 0.30 -0.08 0.00 0.73 0.00 0.00 38.32 39.35 1gwp h ASN 21 CO -0.04 -0.82 0.22 0.00 -1.29 0.00 0.00 177.43 175.50 1gwp h ALA 22 N -1.35 0.82 0.26 1.57 0.00 -1.10 0.58 119.26 120.03 1gwp h ALA 22 Ca -0.14 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1gwp h ALA 22 Cb 1.04 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 1gwp h ALA 22 CO 0.23 -0.22 -0.45 2.35 0.00 0.00 0.00 179.25 181.16 1gwp h TRP 23 N 0.38 -1.28 -0.92 0.00 2.91 -0.33 0.45 115.95 117.17 1gwp h TRP 23 Ca 0.33 0.02 0.26 0.00 1.13 0.00 0.00 58.89 60.63 1gwp h TRP 23 Cb 0.44 0.52 -0.14 0.00 -0.51 0.00 0.00 29.16 29.47 1gwp h TRP 23 CO -0.18 -0.55 0.37 0.28 -1.03 0.00 0.00 178.44 177.32 1gwp h VAL 24 N -0.76 0.35 -0.67 2.65 2.07 0.31 1.14 116.25 121.34 1gwp h VAL 24 Ca -0.03 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 1gwp h VAL 24 Cb 0.71 0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 1gwp h VAL 24 CO -0.16 0.05 0.38 0.50 0.02 0.00 0.00 177.57 178.36 1gwp h LYS 25 N 0.29 0.92 0.53 1.57 3.64 0.78 -0.35 116.57 123.96 1gwp h LYS 25 Ca 0.61 -0.10 -0.03 0.00 -1.27 0.00 0.00 60.65 59.86 1gwp h LYS 25 Cb 1.26 -0.18 0.01 0.00 -0.41 0.00 0.00 32.23 32.90 1gwp h LYS 25 CO -0.61 0.69 -0.25 0.28 -2.27 0.00 0.00 179.45 177.28 1gwp h VAL 26 N 0.91 0.00 -1.04 2.00 2.07 0.57 -0.90 116.25 119.87 1gwp h VAL 26 Ca 0.24 -0.10 0.37 0.00 0.82 0.00 0.00 66.70 68.03 1gwp h VAL 26 Cb 0.02 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 29.63 1gwp h VAL 26 CO -0.04 0.00 0.59 0.58 0.02 0.00 0.00 177.57 178.72 1gwp h VAL 27 N -0.81 0.17 -0.10 2.57 2.07 -0.35 2.09 116.25 121.90 1gwp h VAL 27 Ca -0.07 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 1gwp h VAL 27 Cb 0.54 -0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.28 1gwp h VAL 27 CO 0.12 0.03 0.05 -0.08 0.02 0.00 0.00 177.57 177.71 1gwp h GLU 28 N 0.18 0.14 -0.24 1.57 4.81 -0.79 1.56 114.58 121.82 1gwp h GLU 28 Ca 0.78 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.99 1gwp h GLU 28 Cb 1.98 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 31.33 1gwp h GLU 28 CO -0.64 0.22 0.00 -1.91 -0.73 0.00 0.00 179.01 175.95 1gwp n GLU 29 N -4.94 1.66 0.00 1.92 4.07 0.33 -4.44 120.64 119.24 1gwp n GLU 29 Ca -0.06 -1.01 0.00 0.00 -0.06 0.00 0.00 57.16 56.03 1gwp n GLU 29 Cb 0.09 -1.29 0.00 0.00 -0.06 0.00 0.00 31.44 30.19 1gwp n GLU 29 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1gwp n LYS 30 N 0.28 0.00 -1.17 5.31 4.76 0.62 -5.02 118.16 122.94 1gwp n LYS 30 Ca 0.12 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.56 1gwp n LYS 30 Cb 0.26 -0.01 0.00 0.00 -1.84 0.00 0.00 35.03 33.45 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 -1.43 -0.47 -3.69 7.82 0.00 0.53 -4.34 120.51 118.91 1gwp n ALA 31 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 1gwp n ALA 31 Cb 0.00 -0.35 0.03 0.00 0.00 0.00 0.00 19.45 19.13 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 -1.13 -1.92 -2.78 0.00 3.01 -1.26 -4.99 117.46 108.39 1gwp n PHE 32 Ca 0.00 0.78 -0.20 0.00 1.01 0.00 0.00 57.45 59.04 1gwp n PHE 32 Cb 0.39 -4.18 0.04 0.00 -0.01 0.00 0.00 39.48 35.72 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 -4.19 5.28 0.00 4.37 0.15 -1.26 -4.67 113.70 113.38 1gwp s SER 33 Ca 0.09 -0.25 0.24 0.00 0.70 0.00 0.00 55.95 56.73 1gwp s SER 33 Cb -0.03 -0.61 1.37 0.00 -1.71 0.00 0.00 66.02 65.05 1gwp s SER 33 CO 0.82 -1.12 1.79 -0.81 1.20 0.00 0.00 173.24 175.12 1gwp n PRO 34 N -2.24 0.66 -0.05 5.44 -0.04 -1.26 -1.98 135.00 135.53 1gwp n PRO 34 Ca 0.09 0.02 0.09 0.00 -0.04 0.00 0.00 63.50 63.66 1gwp n PRO 34 Cb 0.60 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.66 1gwp n PRO 34 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1gwp n GLU 35 N -1.06 1.81 -0.02 0.54 4.07 -1.26 -4.24 120.64 120.47 1gwp n GLU 35 Ca 0.16 -1.76 0.01 0.00 -0.06 0.00 0.00 57.16 55.52 1gwp n GLU 35 Cb 0.10 -1.38 -0.08 0.00 -0.06 0.00 0.00 31.44 30.03 1gwp n GLU 35 CO 0.00 0.00 0.00 1.55 -0.06 0.00 0.00 177.13 178.62 1gwp n VAL 36 N 1.09 0.26 -0.26 6.31 3.14 -0.84 -4.07 118.33 123.96 1gwp n VAL 36 Ca 0.12 -0.31 -0.06 0.00 -2.96 0.00 0.00 64.34 61.14 1gwp n VAL 36 Cb 0.49 -0.14 0.05 0.00 -1.06 0.00 0.00 33.84 33.18 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 1.24 -0.04 1.55 2.04 -1.71 0.33 117.51 120.92 1gwp h ILE 37 Ca -0.10 -0.70 -0.23 0.00 1.00 0.00 0.00 64.86 64.83 1gwp h ILE 37 Cb 0.92 0.35 0.01 0.00 -0.74 0.00 0.00 36.82 37.36 1gwp h ILE 37 CO 0.01 0.29 -0.90 1.55 0.00 0.00 0.00 178.15 179.10 1gwp h PRO 38 N 1.02 0.54 -0.20 2.37 0.13 -1.79 -1.70 132.00 132.37 1gwp h PRO 38 Ca 0.25 -0.53 -0.10 0.00 -0.87 0.00 0.00 66.00 64.75 1gwp h PRO 38 Cb 0.14 0.14 -0.01 0.00 0.13 0.00 0.00 31.00 31.40 1gwp h PRO 38 CO -0.03 1.16 -0.31 1.98 -0.23 0.00 0.00 178.00 180.56 1gwp h MET 39 N 0.33 0.41 -0.02 0.86 4.05 -1.64 -1.41 114.93 117.51 1gwp h MET 39 Ca -0.08 -0.17 -0.14 0.00 -0.28 0.00 0.00 59.70 59.04 1gwp h MET 39 Cb 1.52 -0.02 0.01 0.00 -0.80 0.00 0.00 31.60 32.32 1gwp h MET 39 CO 0.16 0.68 -0.53 0.35 0.23 0.00 0.00 176.91 177.80 1gwp h PHE 40 N 0.35 0.57 -0.67 1.39 3.57 -0.35 -1.04 116.94 120.77 1gwp h PHE 40 Ca 0.05 -0.30 0.01 0.00 3.53 0.00 0.00 57.97 61.26 1gwp h PHE 40 Cb 0.73 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.37 1gwp h PHE 40 CO 0.02 1.10 0.44 0.66 -2.23 0.00 0.00 178.31 178.30 1gwp h SER 41 N -0.12 0.75 -0.18 0.41 4.64 -1.24 0.39 113.55 118.20 1gwp h SER 41 Ca -0.06 -0.02 -0.04 0.00 -0.47 0.00 0.00 61.79 61.20 1gwp h SER 41 Cb 1.23 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 63.13 1gwp h SER 41 CO 0.11 0.54 -0.04 0.00 -0.87 0.00 0.00 176.83 176.57 1gwp h ALA 42 N 1.25 0.25 0.00 5.18 0.00 -1.31 -1.69 119.26 122.94 1gwp h ALA 42 Ca 0.25 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1gwp h ALA 42 Cb -0.09 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1gwp h ALA 42 CO -0.06 0.01 -0.01 -0.07 0.00 0.00 0.00 179.25 179.12 1gwp h LEU 43 N 0.07 0.00 -3.86 0.00 3.38 -0.76 -0.72 115.31 113.41 1gwp h LEU 43 Ca 0.05 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.43 1gwp h LEU 43 Cb 0.47 0.00 -0.32 0.00 0.09 0.00 0.00 40.66 40.90 1gwp h LEU 43 CO 0.02 0.01 0.23 -0.24 0.09 0.00 0.00 178.44 178.55 1gwp n SER 44 N -4.37 6.10 -0.17 -0.43 2.88 0.13 -4.73 113.62 113.03 1gwp n SER 44 Ca -0.03 -3.77 -0.02 0.00 -1.33 0.00 0.00 58.87 53.72 1gwp n SER 44 Cb 0.10 -0.73 0.05 0.00 -0.75 0.00 0.00 64.21 62.88 1gwp n SER 44 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1gwp h GLU 45 N 1.91 0.02 -1.00 -1.46 4.22 -0.20 -3.32 114.58 114.75 1gwp h GLU 45 Ca 0.50 -0.00 -0.36 0.00 0.08 0.00 0.00 59.36 59.58 1gwp h GLU 45 Cb 1.25 -0.01 -0.29 0.00 0.50 0.00 0.00 28.75 30.21 1gwp h GLU 45 CO 1.19 0.02 -0.85 0.41 -2.18 0.00 0.00 179.01 177.60 1gwp n GLY 46 N -1.37 2.10 3.94 1.92 0.00 -1.26 -4.50 105.19 106.02 1gwp n GLY 46 Ca 0.06 -0.88 -0.24 0.00 0.00 0.00 0.00 46.02 44.95 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 -1.26 3.63 0.60 4.61 0.00 -1.25 -3.54 121.76 124.55 1gwp s ALA 47 Ca 0.31 -0.97 -0.00 0.00 0.00 0.00 0.00 51.96 51.29 1gwp s ALA 47 Cb 0.34 -2.28 0.01 0.00 0.00 0.00 0.00 23.12 21.20 1gwp s ALA 47 CO -0.06 -0.54 0.10 0.25 0.00 0.00 0.00 175.76 175.50 1gwp n THR 48 N -2.26 0.00 0.05 0.00 -2.24 -1.26 -4.75 114.28 103.82 1gwp n THR 48 Ca 0.03 -0.12 -0.13 0.00 -2.27 0.00 0.00 64.05 61.56 1gwp n THR 48 Cb 0.58 -1.54 -0.03 0.00 -2.10 0.00 0.00 70.33 67.23 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 0.47 -0.06 -0.78 0.13 -1.95 -1.56 132.00 128.25 1gwp h PRO 49 Ca -0.03 -0.46 -0.14 0.00 -0.87 0.00 0.00 66.00 64.50 1gwp h PRO 49 Cb 0.10 0.12 -0.01 0.00 0.13 0.00 0.00 31.00 31.34 1gwp h PRO 49 CO 0.03 1.10 -0.61 0.37 -0.23 0.00 0.00 178.00 178.66 1gwp h GLN 50 N 0.29 0.20 0.39 0.86 4.15 -1.97 0.29 115.11 119.33 1gwp h GLN 50 Ca -0.07 -0.14 -0.02 0.00 0.77 0.00 0.00 58.65 59.20 1gwp h GLN 50 Cb 1.49 0.02 0.00 0.00 0.21 0.00 0.00 27.48 29.21 1gwp h GLN 50 CO 0.16 0.75 -0.19 -0.44 -1.93 0.00 0.00 178.83 177.17 1gwp h ASP 51 N 0.15 -0.45 -0.75 -0.69 3.32 -1.92 0.87 116.42 116.95 1gwp h ASP 51 Ca -0.01 0.02 0.11 0.00 0.02 0.00 0.00 57.03 57.17 1gwp h ASP 51 Cb 1.11 0.12 -0.05 0.00 0.22 0.00 0.00 39.33 40.72 1gwp h ASP 51 CO 0.09 -0.03 0.49 -0.07 -1.72 0.00 0.00 179.24 178.00 1gwp h LEU 52 N -1.11 0.54 -0.38 1.55 3.38 -1.35 0.12 115.31 118.06 1gwp h LEU 52 Ca -0.05 0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 1gwp h LEU 52 Cb 0.41 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1gwp h LEU 52 CO 0.09 0.31 -0.13 -1.13 0.09 0.00 0.00 178.44 177.68 1gwp h ASN 53 N 0.60 0.76 -0.16 -0.43 -1.24 -0.95 0.44 115.58 114.60 1gwp h ASN 53 Ca 0.35 -0.38 -0.00 0.00 0.71 0.00 0.00 56.30 56.98 1gwp h ASN 53 Cb 0.55 -0.21 -0.01 0.00 0.73 0.00 0.00 38.32 39.39 1gwp h ASN 53 CO -0.13 0.97 0.10 0.74 -1.29 0.00 0.00 177.43 177.82 1gwp h THR 54 N 0.55 1.07 -0.18 -3.57 2.02 0.14 0.24 112.91 113.18 1gwp h THR 54 Ca 0.09 -0.18 -0.06 0.00 0.77 0.00 0.00 66.41 67.02 1gwp h THR 54 Cb 0.65 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 67.96 1gwp h THR 54 CO 0.04 0.07 -0.17 0.24 0.37 0.00 0.00 175.52 176.07 1gwp h MET 55 N 0.18 0.31 -0.19 6.66 2.86 -0.81 0.24 114.93 124.18 1gwp h MET 55 Ca 0.06 -0.09 -0.08 0.00 -2.06 0.00 0.00 59.70 57.54 1gwp h MET 55 Cb 0.03 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.65 1gwp h MET 55 CO -0.01 0.48 -0.18 -0.07 1.06 0.00 0.00 176.91 178.19 1gwp h LEU 56 N 0.29 0.49 -1.13 1.22 4.07 -0.38 -2.60 115.31 117.27 1gwp h LEU 56 Ca 0.05 -0.47 -0.09 0.00 0.08 0.00 0.00 57.88 57.45 1gwp h LEU 56 Cb 0.47 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 42.06 1gwp h LEU 56 CO 0.03 0.86 -0.43 -1.13 -1.08 0.00 0.00 178.44 176.69 1gwp h ASN 57 N 0.13 0.00 -0.65 -0.43 -1.24 -0.25 -2.66 115.58 110.49 1gwp h ASN 57 Ca 0.03 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.02 1gwp h ASN 57 Cb 0.72 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.73 1gwp h ASN 57 CO 0.04 0.43 0.32 0.74 -1.29 0.00 0.00 177.43 177.68 1gwp h THR 58 N 0.00 1.22 -1.69 -3.57 2.02 -0.33 -3.44 112.91 107.11 1gwp h THR 58 Ca -0.00 -0.61 -0.49 0.00 0.77 0.00 0.00 66.41 66.07 1gwp h THR 58 Cb 0.78 0.36 0.25 0.00 -1.74 0.00 0.00 68.15 67.79 1gwp h THR 58 CO 0.06 0.26 -1.98 0.55 0.37 0.00 0.00 175.52 174.77 1gwp n VAL 59 N -4.34 0.00 -0.28 3.16 3.14 -1.00 -4.77 118.33 114.24 1gwp n VAL 59 Ca 0.06 -0.17 -0.02 0.00 -2.96 0.00 0.00 64.34 61.25 1gwp n VAL 59 Cb 0.13 -0.22 0.03 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 -1.36 0.07 0.00 7.55 0.00 -1.87 -3.46 103.07 104.00 1gwp h GLY 60 Ca -0.44 0.44 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1gwp h GLY 60 CO 0.27 -0.22 0.00 0.61 0.00 0.00 0.00 176.54 177.20 1gwp n GLY 61 N -1.46 0.68 3.56 4.60 0.00 -1.26 -5.10 105.19 106.20 1gwp n GLY 61 Ca 0.08 -0.45 -0.40 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.63 3.21 0.49 1.61 3.76 -1.26 -4.94 115.29 117.54 1gwp s HIS 62 Ca 0.00 0.08 0.18 0.00 -0.15 0.00 0.00 55.06 55.16 1gwp s HIS 62 Cb 0.00 -2.67 1.21 0.00 1.11 0.00 0.00 32.58 32.24 1gwp s HIS 62 CO 0.00 -0.40 2.05 -0.56 -0.85 0.00 0.00 174.74 174.98 1gwp h GLN 63 N 8.41 0.15 0.02 1.40 3.07 -1.99 0.22 115.11 126.40 1gwp h GLN 63 Ca -0.30 -0.01 -0.00 0.00 0.09 0.00 0.00 58.65 58.43 1gwp h GLN 63 Cb 1.15 -0.03 0.00 0.00 0.08 0.00 0.00 27.48 28.67 1gwp h GLN 63 CO 0.69 0.10 -0.01 0.00 0.09 0.00 0.00 178.83 179.70 1gwp h ALA 64 N 1.81 -0.03 0.46 0.06 0.00 -1.98 0.41 119.26 119.99 1gwp h ALA 64 Ca 0.17 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1gwp h ALA 64 Cb 0.48 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1gwp h ALA 64 CO -0.02 -0.31 -0.22 0.00 0.00 0.00 0.00 179.25 178.70 1gwp h ALA 65 N 0.52 -0.61 -0.74 0.00 0.00 -1.69 -1.20 119.26 115.54 1gwp h ALA 65 Ca -0.00 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.81 1gwp h ALA 65 Cb 0.42 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 1gwp h ALA 65 CO 0.00 -0.84 0.49 0.52 0.00 0.00 0.00 179.25 179.42 1gwp h MET 66 N -0.62 0.87 0.21 0.00 2.07 -0.65 -1.13 114.93 115.67 1gwp h MET 66 Ca -0.06 -0.05 -0.00 0.00 -2.07 0.00 0.00 59.70 57.52 1gwp h MET 66 Cb 0.47 -0.20 -0.01 0.00 -1.87 0.00 0.00 31.60 30.00 1gwp h MET 66 CO 0.10 0.57 -0.18 0.37 1.07 0.00 0.00 176.91 178.85 1gwp h GLN 67 N 0.89 -0.39 -0.80 1.72 4.15 0.26 0.14 115.11 121.08 1gwp h GLN 67 Ca 0.30 0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.76 1gwp h GLN 67 Cb 0.07 0.09 -0.04 0.00 0.21 0.00 0.00 27.48 27.81 1gwp h GLN 67 CO -0.09 -0.26 0.53 1.98 -1.93 0.00 0.00 178.83 179.06 1gwp h MET 68 N -0.40 1.04 -0.45 1.69 4.05 -0.76 -0.80 114.93 119.30 1gwp h MET 68 Ca -0.01 -0.06 -0.01 0.00 -0.28 0.00 0.00 59.70 59.34 1gwp h MET 68 Cb 0.36 -0.23 -0.02 0.00 -0.80 0.00 0.00 31.60 30.91 1gwp h MET 68 CO -0.02 0.69 0.22 1.25 0.23 0.00 0.00 176.91 179.27 1gwp h LEU 69 N 1.07 0.55 -0.04 3.39 6.46 -0.84 0.22 115.31 126.12 1gwp h LEU 69 Ca 0.30 -0.04 -0.01 0.00 -0.12 0.00 0.00 57.88 58.01 1gwp h LEU 69 Cb -0.11 -0.14 -0.00 0.00 -0.73 0.00 0.00 40.66 39.68 1gwp h LEU 69 CO -0.07 0.47 -0.00 0.50 -0.62 0.00 0.00 178.44 178.72 1gwp h LYS 70 N 0.62 0.07 -0.63 1.25 3.64 0.47 -0.40 116.57 121.60 1gwp h LYS 70 Ca 0.16 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1gwp h LYS 70 Cb 0.07 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 1gwp h LYS 70 CO -0.02 0.37 0.39 0.93 -2.27 0.00 0.00 179.45 178.85 1gwp h GLU 71 N -0.24 0.85 0.85 1.90 5.08 -0.63 -1.28 114.58 121.11 1gwp h GLU 71 Ca 0.01 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 1gwp h GLU 71 Cb 0.34 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1gwp h GLU 71 CO 0.00 0.60 -0.47 1.15 -1.00 0.00 0.00 179.01 179.29 1gwp h THR 72 N 0.85 0.00 -0.73 1.13 2.02 -0.49 -0.15 112.91 115.55 1gwp h THR 72 Ca 0.23 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.57 1gwp h THR 72 Cb -0.03 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 66.25 1gwp h THR 72 CO -0.04 0.00 -0.06 0.40 0.37 0.00 0.00 175.52 176.19 1gwp h ILE 73 N -1.23 0.33 -0.82 3.11 2.04 -0.98 1.19 117.51 121.17 1gwp h ILE 73 Ca -0.12 -0.02 0.09 0.00 1.00 0.00 0.00 64.86 65.81 1gwp h ILE 73 Cb 0.96 0.26 -0.06 0.00 -0.74 0.00 0.00 36.82 37.25 1gwp h ILE 73 CO 0.15 0.01 0.53 -1.13 0.00 0.00 0.00 178.15 177.71 1gwp h ASN 74 N 0.06 0.71 0.18 1.72 -0.73 -0.95 -1.35 115.58 115.22 1gwp h ASN 74 Ca 0.38 0.02 -0.01 0.00 1.87 0.00 0.00 56.30 58.56 1gwp h ASN 74 Cb 0.64 -0.13 0.00 0.00 0.27 0.00 0.00 38.32 39.10 1gwp h ASN 74 CO -0.68 0.43 -0.09 -0.08 -0.37 0.00 0.00 177.43 176.64 1gwp h GLU 75 N 0.79 -0.24 -0.74 6.67 4.81 0.33 -1.43 114.58 124.76 1gwp h GLU 75 Ca 0.37 0.02 0.14 0.00 -0.13 0.00 0.00 59.36 59.76 1gwp h GLU 75 Cb 0.40 0.05 -0.09 0.00 0.63 0.00 0.00 28.75 29.74 1gwp h GLU 75 CO -0.14 -0.03 0.29 0.93 -0.73 0.00 0.00 179.01 179.32 1gwp h GLU 76 N -0.41 0.42 -0.12 1.92 4.39 -0.14 0.44 114.58 121.08 1gwp h GLU 76 Ca -0.03 -0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.66 1gwp h GLU 76 Cb 0.31 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 1gwp h GLU 76 CO 0.04 0.28 0.03 0.00 -1.16 0.00 0.00 179.01 178.20 1gwp h ALA 77 N 1.54 0.13 -0.47 3.43 0.00 -1.07 0.16 119.26 122.98 1gwp h ALA 77 Ca 0.40 0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.42 1gwp h ALA 77 Cb 0.60 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.33 1gwp h ALA 77 CO -0.40 -0.42 0.04 0.00 0.00 0.00 0.00 179.25 178.47 1gwp h ALA 78 N 1.08 0.48 -0.57 0.00 0.00 0.05 0.18 119.26 120.47 1gwp h ALA 78 Ca 0.05 0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.11 1gwp h ALA 78 Cb 0.04 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1gwp h ALA 78 CO -0.06 -0.36 0.38 0.93 0.00 0.00 0.00 179.25 180.14 1gwp h GLU 79 N 0.16 0.69 -0.32 0.00 5.08 -0.40 0.29 114.58 120.08 1gwp h GLU 79 Ca 0.24 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1gwp h GLU 79 Cb 0.34 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1gwp h GLU 79 CO -0.36 0.46 0.21 2.35 -1.00 0.00 0.00 179.01 180.67 1gwp h TRP 80 N 0.71 0.40 -0.47 4.33 2.91 0.13 0.45 115.95 124.43 1gwp h TRP 80 Ca 0.22 0.01 -0.09 0.00 1.13 0.00 0.00 58.89 60.16 1gwp h TRP 80 Cb 0.01 -0.14 -0.02 0.00 -0.51 0.00 0.00 29.16 28.51 1gwp h TRP 80 CO -0.00 0.26 -0.04 0.22 -1.03 0.00 0.00 178.44 177.85 1gwp h ASP 81 N 0.43 0.85 -0.65 2.65 1.82 -0.03 0.24 116.42 121.73 1gwp h ASP 81 Ca 0.12 -0.33 0.03 0.00 -0.39 0.00 0.00 57.03 56.46 1gwp h ASP 81 Cb -0.04 -0.23 -0.04 0.00 0.68 0.00 0.00 39.33 39.70 1gwp h ASP 81 CO -0.02 0.97 0.40 -0.09 -1.61 0.00 0.00 179.24 178.89 1gwp h ARG 82 N 0.70 0.77 0.00 0.28 1.12 0.12 -3.23 114.38 114.14 1gwp h ARG 82 Ca 0.13 -0.05 0.00 0.00 -1.11 0.00 0.00 59.98 58.95 1gwp h ARG 82 Cb 0.56 -0.17 0.00 0.00 -0.01 0.00 0.00 29.97 30.35 1gwp h ARG 82 CO 0.03 0.51 0.00 1.28 -3.11 0.00 0.00 179.97 178.68 1gwp n LEU 83 N -4.70 1.54 -4.53 3.80 4.77 0.15 -4.68 117.00 113.36 1gwp n LEU 83 Ca 0.06 0.26 -0.42 0.00 -0.03 0.00 0.00 56.01 55.88 1gwp n LEU 83 Cb 0.08 -0.04 -0.07 0.00 -2.33 0.00 0.00 43.42 41.06 1gwp n LEU 83 CO 0.33 -0.04 0.29 -1.00 -1.33 0.00 0.00 177.39 175.64 1gwp s HIS 84 N -0.55 3.12 0.68 -1.77 3.76 0.06 -5.06 115.29 115.53 1gwp s HIS 84 Ca 0.00 -0.01 -0.12 0.00 -0.15 0.00 0.00 55.06 54.79 1gwp s HIS 84 Cb 0.00 -3.13 0.16 0.00 1.11 0.00 0.00 32.58 30.72 1gwp s HIS 84 CO 0.00 -0.72 0.75 -0.35 -0.85 0.00 0.00 174.74 173.57 1gwp n PRO 85 N 5.98 -1.56 -3.65 8.40 -0.04 -1.22 -4.14 135.00 138.78 1gwp n PRO 85 Ca -0.03 -1.18 0.01 0.00 -0.04 0.00 0.00 63.50 62.25 1gwp n PRO 85 Cb 0.48 -0.93 -0.06 0.00 -0.04 0.00 0.00 33.50 32.95 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 -2.52 0.00 -0.51 0.52 0.11 -1.26 -5.01 120.40 111.73 1gwp s VAL 86 Ca 0.45 0.00 -0.06 0.00 -2.93 0.00 0.00 61.98 59.45 1gwp s VAL 86 Cb -0.03 -1.00 0.13 0.00 -1.53 0.00 0.00 36.38 33.96 1gwp s VAL 86 CO 0.33 0.00 0.35 -1.00 -3.33 0.00 0.00 175.10 171.45 1gwp s HIS 87 N 0.97 3.50 -0.68 1.54 3.76 -1.26 -5.02 115.29 118.11 1gwp s HIS 87 Ca -0.06 -2.30 -0.25 0.00 -0.15 0.00 0.00 55.06 52.29 1gwp s HIS 87 Cb -0.03 -3.35 -0.13 0.00 1.11 0.00 0.00 32.58 30.19 1gwp s HIS 87 CO -0.11 -0.95 2.43 0.00 -0.85 0.00 0.00 174.74 175.26 1gwp n ALA 88 N 4.36 0.61 -3.00 -1.40 0.00 -1.26 -4.77 120.51 115.05 1gwp n ALA 88 Ca -0.00 -1.01 0.00 0.00 0.00 0.00 0.00 53.44 52.42 1gwp n ALA 88 Cb 0.41 -3.08 0.00 0.00 0.00 0.00 0.00 19.45 16.77 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 6.29 5.19 3.82 0.00 0.00 -1.26 -5.14 105.19 114.09 1gwp n GLY 89 Ca 0.46 -1.22 -0.31 0.00 0.00 0.00 0.00 46.02 44.94 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 4.90 3.04 -0.29 1.61 0.04 -1.26 -5.07 135.00 137.97 1gwp s PRO 90 Ca 0.00 1.00 -0.15 0.00 0.04 0.00 0.00 61.00 61.89 1gwp s PRO 90 Cb 0.00 -2.00 0.10 0.00 0.04 0.00 0.00 34.50 32.64 1gwp s PRO 90 CO 0.00 -1.02 0.77 -1.50 0.04 0.00 0.00 177.00 175.29 1gwp s ILE 91 N -2.93 -0.14 0.71 0.56 2.07 -1.26 -5.15 121.20 115.06 1gwp s ILE 91 Ca 0.59 0.00 -0.18 0.00 -1.41 0.00 0.00 60.65 59.65 1gwp s ILE 91 Cb -0.14 -1.00 -0.15 0.00 0.13 0.00 0.00 42.46 41.30 1gwp s ILE 91 CO 0.51 0.00 -0.39 0.00 -1.91 0.00 0.00 174.94 173.15 1gwp n ALA 92 N 4.33 -4.05 -2.32 1.50 0.00 -1.26 -4.69 120.51 114.02 1gwp n ALA 92 Ca -0.18 -0.31 -0.35 0.00 0.00 0.00 0.00 53.44 52.60 1gwp n ALA 92 Cb 0.57 -1.31 -0.04 0.00 0.00 0.00 0.00 19.45 18.68 1gwp n ALA 92 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1gwp s PRO 93 N -1.44 3.16 0.00 0.00 0.04 -1.26 -1.88 135.00 133.61 1gwp s PRO 93 Ca 0.50 -1.07 0.00 0.00 0.04 0.00 0.00 61.00 60.47 1gwp s PRO 93 Cb -0.37 -5.29 0.00 0.00 0.04 0.00 0.00 34.50 28.89 1gwp s PRO 93 CO 0.73 -2.91 0.00 0.41 0.04 0.00 0.00 177.00 175.27 1gwp n GLY 94 N 6.36 0.24 3.72 0.56 0.00 -1.26 -5.12 105.19 109.69 1gwp n GLY 94 Ca 0.41 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.02 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 4.56 0.65 1.61 -1.52 -0.79 -5.03 119.66 119.14 1gwp s GLN 95 Ca 0.00 1.27 -0.14 0.00 -1.95 0.00 0.00 55.36 54.53 1gwp s GLN 95 Cb 0.00 -3.41 -0.01 0.00 -0.22 0.00 0.00 33.01 29.37 1gwp s GLN 95 CO 0.00 0.11 1.09 1.41 -0.25 0.00 0.00 175.29 177.65 1gwp s MET 96 N 0.48 2.94 0.27 2.91 -2.45 -1.26 -4.81 119.30 117.37 1gwp s MET 96 Ca 0.45 1.27 0.04 0.00 -1.25 0.00 0.00 55.69 56.20 1gwp s MET 96 Cb -0.21 -1.98 -0.06 0.00 1.25 0.00 0.00 34.83 33.84 1gwp s MET 96 CO 0.26 -1.13 0.02 0.50 1.05 0.00 0.00 175.02 175.73 1gwp s ARG 97 N -4.24 1.47 -0.43 4.11 3.52 -1.26 -5.05 118.95 117.08 1gwp s ARG 97 Ca 0.65 -1.78 0.03 0.00 -0.13 0.00 0.00 55.73 54.49 1gwp s ARG 97 Cb -0.18 -0.71 0.12 0.00 -1.56 0.00 0.00 34.95 32.62 1gwp s ARG 97 CO 0.42 -0.14 0.19 -1.21 -0.81 0.00 0.00 175.30 173.75 1gwp s GLU 98 N -3.88 1.45 -0.22 5.12 2.02 -1.26 -4.99 118.70 116.94 1gwp s GLU 98 Ca 0.32 -2.04 -0.05 0.00 0.02 0.00 0.00 54.97 53.23 1gwp s GLU 98 Cb 0.07 -2.76 -0.18 0.00 0.10 0.00 0.00 34.13 31.36 1gwp s GLU 98 CO 0.12 -1.08 2.78 -0.35 0.02 0.00 0.00 175.26 176.76 1gwp n PRO 99 N 3.73 1.74 -0.14 0.39 -0.04 -1.26 -4.92 135.00 134.50 1gwp n PRO 99 Ca 0.05 -0.94 0.02 0.00 -0.04 0.00 0.00 63.50 62.59 1gwp n PRO 99 Cb 0.36 -2.01 -0.00 0.00 -0.04 0.00 0.00 33.50 31.81 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 2.86 -0.27 -0.34 0.54 5.12 -1.26 -2.12 116.66 121.18 1gwp n ARG 100 Ca 0.37 0.18 0.27 0.00 -1.93 0.00 0.00 57.85 56.75 1gwp n ARG 100 Cb 0.60 -0.33 0.53 0.00 -1.16 0.00 0.00 32.46 32.09 1gwp n ARG 100 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 1gwp h GLY 101 N -0.13 2.00 -1.84 -0.13 0.00 -1.88 0.66 103.07 101.75 1gwp h GLY 101 Ca 0.00 -0.20 0.56 0.00 0.00 0.00 0.00 47.33 47.69 1gwp h GLY 101 CO 0.00 -0.55 1.35 1.76 0.00 0.00 0.00 176.54 179.11 1gwp h SER 102 N 0.22 0.02 0.07 0.19 0.02 -1.79 1.66 113.55 113.93 1gwp h SER 102 Ca 0.77 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.73 1gwp h SER 102 Cb 1.92 0.02 0.00 0.00 0.14 0.00 0.00 62.40 64.48 1gwp h SER 102 CO -0.61 -0.02 -0.03 -0.78 -1.14 0.00 0.00 176.83 174.24 1gwp h ASP 103 N 0.00 -0.08 0.43 3.07 3.58 0.88 -2.72 116.42 121.59 1gwp h ASP 103 Ca 0.92 -0.45 0.00 0.00 0.42 0.00 0.00 57.03 57.92 1gwp h ASP 103 Cb 3.63 0.02 0.00 0.00 1.72 0.00 0.00 39.33 44.70 1gwp h ASP 103 CO -0.05 0.43 0.00 -0.38 -2.88 0.00 0.00 179.24 176.36 1gwp n ILE 104 N -4.89 1.06 0.20 2.25 5.41 0.53 -1.03 119.36 122.89 1gwp n ILE 104 Ca -0.09 0.37 0.08 0.00 1.00 0.00 0.00 62.75 64.12 1gwp n ILE 104 Cb 0.26 -1.28 0.30 0.00 -0.71 0.00 0.00 39.64 38.22 1gwp n ILE 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1gwp h ALA 105 N 2.24 0.91 0.00 -1.39 0.00 -0.10 -3.43 119.26 117.49 1gwp h ALA 105 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1gwp h ALA 105 Cb 0.22 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1gwp h ALA 105 CO 0.00 0.34 0.00 0.41 0.00 0.00 0.00 179.25 180.00 1gwp n GLY 106 N 0.57 0.72 0.14 0.00 0.00 -0.20 -4.96 105.19 101.47 1gwp n GLY 106 Ca 0.01 -0.32 -0.22 0.00 0.00 0.00 0.00 46.02 45.49 1gwp n GLY 106 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1gwp h THR 107 N 0.00 1.34 0.00 2.61 1.35 -1.69 -3.37 112.91 113.15 1gwp h THR 107 Ca 0.00 -2.75 0.00 0.00 -0.55 0.00 0.00 66.41 63.11 1gwp h THR 107 Cb 0.00 2.95 0.00 0.00 -1.73 0.00 0.00 68.15 69.37 1gwp h THR 107 CO 0.00 0.82 -0.79 1.07 -0.25 0.00 0.00 175.52 176.37 1gwp n THR 108 N -3.68 0.00 -4.55 6.82 5.66 -1.25 -5.00 114.28 112.27 1gwp n THR 108 Ca -0.14 -0.24 -0.32 0.00 -3.05 0.00 0.00 64.05 60.30 1gwp n THR 108 Cb 1.06 0.66 -0.11 0.00 -1.55 0.00 0.00 70.33 70.39 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 -2.10 4.50 0.00 1.09 1.04 -1.26 -5.04 113.70 111.93 1gwp s SER 109 Ca -0.00 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.28 1gwp s SER 109 Cb 0.04 -1.03 0.00 0.00 0.10 0.00 0.00 66.02 65.12 1gwp s SER 109 CO 0.22 0.30 0.00 1.07 0.98 0.00 0.00 173.24 175.81 1gwp n THR 110 N 1.77 0.00 0.03 2.02 5.66 -1.26 -4.20 114.28 118.30 1gwp n THR 110 Ca -0.16 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.75 1gwp n THR 110 Cb 0.53 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.24 1gwp n THR 110 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 175.07 172.27 1gwp h LEU 111 N 0.00 -0.16 -0.14 1.09 5.85 -1.98 -1.21 115.31 118.77 1gwp h LEU 111 Ca 0.00 -0.34 -0.02 0.00 0.84 0.00 0.00 57.88 58.36 1gwp h LEU 111 Cb 0.00 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 1gwp h LEU 111 CO 0.00 0.43 0.02 1.56 -0.34 0.00 0.00 178.44 180.12 1gwp h GLN 112 N -0.93 0.23 -0.16 1.25 4.20 -1.98 -0.09 115.11 117.62 1gwp h GLN 112 Ca -0.02 -0.06 0.03 0.00 0.06 0.00 0.00 58.65 58.67 1gwp h GLN 112 Cb 0.49 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.21 1gwp h GLN 112 CO 0.03 0.41 -0.05 1.49 -0.67 0.00 0.00 178.83 180.04 1gwp h GLU 113 N 0.01 -0.02 -0.59 1.46 4.81 -1.95 -0.58 114.58 117.72 1gwp h GLU 113 Ca 0.04 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1gwp h GLU 113 Cb 0.29 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.65 1gwp h GLU 113 CO 0.00 -0.01 0.35 1.96 -0.73 0.00 0.00 179.01 180.58 1gwp h GLN 114 N -0.02 0.79 -0.84 1.92 4.20 -1.14 -1.26 115.11 118.76 1gwp h GLN 114 Ca 0.08 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 1gwp h GLN 114 Cb 0.14 -0.17 -0.04 0.00 0.30 0.00 0.00 27.48 27.71 1gwp h GLN 114 CO -0.18 0.55 0.48 0.82 -0.67 0.00 0.00 178.83 179.84 1gwp h ILE 115 N 0.80 1.24 -0.02 2.54 5.03 0.14 -0.41 117.51 126.83 1gwp h ILE 115 Ca 0.21 -0.57 -0.00 0.00 -0.12 0.00 0.00 64.86 64.38 1gwp h ILE 115 Cb -0.03 0.09 -0.00 0.00 -3.03 0.00 0.00 36.82 33.85 1gwp h ILE 115 CO -0.04 0.26 0.00 1.23 -0.68 0.00 0.00 178.15 178.93 1gwp h GLY 116 N 1.16 0.04 0.63 5.37 0.00 -0.07 1.31 103.07 111.51 1gwp h GLY 116 Ca 0.30 -0.03 0.12 0.00 0.00 0.00 0.00 47.33 47.72 1gwp h GLY 116 CO -0.05 0.03 0.57 1.49 0.00 0.00 0.00 176.54 178.57 1gwp h TRP 117 N -0.22 0.87 0.00 5.60 6.55 -1.01 1.58 115.95 129.32 1gwp h TRP 117 Ca 0.01 0.02 0.00 0.00 0.95 0.00 0.00 58.89 59.87 1gwp h TRP 117 Cb 0.27 -0.28 0.00 0.00 -0.86 0.00 0.00 29.16 28.29 1gwp h TRP 117 CO 0.02 0.36 -0.46 1.98 -1.05 0.00 0.00 178.44 179.29 1gwp h MET 118 N 0.77 0.00 -0.26 0.49 4.05 -0.71 0.52 114.93 119.80 1gwp h MET 118 Ca 0.43 0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 59.81 1gwp h MET 118 Cb 0.57 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.34 1gwp h MET 118 CO -0.19 0.00 -0.01 2.41 0.23 0.00 0.00 176.91 179.35 1gwp n THR 119 N -2.37 2.31 -4.10 -0.77 -1.04 0.45 -4.42 114.28 104.34 1gwp n THR 119 Ca 0.03 -2.08 -0.24 0.00 -2.04 0.00 0.00 64.05 59.72 1gwp n THR 119 Cb 0.47 -0.27 -0.07 0.00 -1.82 0.00 0.00 70.33 68.64 1gwp n THR 119 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 1gwp s HIS 120 N -2.92 2.63 -0.21 -1.42 4.02 0.49 -4.89 115.29 112.99 1gwp s HIS 120 Ca 0.42 -0.53 -0.03 0.00 1.02 0.00 0.00 55.06 55.94 1gwp s HIS 120 Cb 0.35 -1.88 0.00 0.00 -1.02 0.00 0.00 32.58 30.03 1gwp s HIS 120 CO 0.07 0.22 -0.08 -0.80 1.02 0.00 0.00 174.74 175.16 1gwp s ASN 121 N -3.89 4.03 0.75 1.40 0.01 -1.26 0.40 114.94 116.37 1gwp s ASN 121 Ca 0.40 -0.49 -0.11 0.00 -0.71 0.00 0.00 52.86 51.96 1gwp s ASN 121 Cb 0.02 -1.67 0.04 0.00 0.41 0.00 0.00 41.25 40.05 1gwp s ASN 121 CO 0.23 -0.02 1.08 -2.16 -1.51 0.00 0.00 177.10 174.71 1gwp s PRO 122 N 1.43 2.47 -0.23 -0.60 0.04 -1.26 -5.08 135.00 131.76 1gwp s PRO 122 Ca 0.05 0.79 -0.29 0.00 0.04 0.00 0.00 61.00 61.59 1gwp s PRO 122 Cb -0.14 -1.95 -0.01 0.00 0.04 0.00 0.00 34.50 32.44 1gwp s PRO 122 CO -0.06 -1.39 1.31 -1.25 0.04 0.00 0.00 177.00 175.65 1gwp s PRO 123 N -5.10 4.07 -0.17 0.56 0.04 0.16 -4.92 135.00 129.64 1gwp s PRO 123 Ca 0.60 1.49 -0.26 0.00 0.04 0.00 0.00 61.00 62.86 1gwp s PRO 123 Cb -0.14 -3.84 -0.01 0.00 0.04 0.00 0.00 34.50 30.55 1gwp s PRO 123 CO 0.55 -0.93 0.87 0.42 0.04 0.00 0.00 177.00 177.95 1gwp s ILE 124 N 4.00 4.85 0.00 0.56 1.09 0.18 -4.92 121.20 126.96 1gwp s ILE 124 Ca 0.57 1.72 -0.04 0.00 -1.10 0.00 0.00 60.65 61.80 1gwp s ILE 124 Cb -0.20 -4.17 -0.18 0.00 -1.06 0.00 0.00 42.46 36.85 1gwp s ILE 124 CO 0.19 0.00 2.68 -0.81 -0.10 0.00 0.00 174.94 176.91 1gwp n PRO 125 N 5.31 1.41 -0.06 2.79 -0.04 -1.26 -3.54 135.00 139.61 1gwp n PRO 125 Ca 0.06 -0.66 0.20 0.00 -0.04 0.00 0.00 63.50 63.06 1gwp n PRO 125 Cb 0.48 -1.78 0.65 0.00 -0.04 0.00 0.00 33.50 32.81 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 2.13 0.73 0.00 0.52 3.04 -1.90 0.44 116.25 121.21 1gwp h VAL 126 Ca 0.13 -0.04 0.00 0.00 -1.01 0.00 0.00 66.70 65.78 1gwp h VAL 126 Cb 1.09 0.62 0.00 0.00 -2.01 0.00 0.00 31.29 30.99 1gwp h VAL 126 CO 0.26 0.02 0.00 0.61 -1.01 0.00 0.00 177.57 177.45 1gwp n GLY 127 N -1.62 -1.45 0.44 3.17 0.00 -1.26 -1.46 105.19 103.01 1gwp n GLY 127 Ca 0.12 0.00 0.24 0.00 0.00 0.00 0.00 46.02 46.38 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 0.24 0.63 1.61 4.81 -1.74 0.22 114.58 120.35 1gwp h GLU 128 Ca 0.00 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 1gwp h GLU 128 Cb 0.00 -0.05 0.01 0.00 0.63 0.00 0.00 28.75 29.33 1gwp h GLU 128 CO 0.00 0.16 -0.30 0.82 -0.73 0.00 0.00 179.01 178.95 1gwp h ILE 129 N 0.24 0.31 -0.98 2.32 2.04 -0.17 -0.64 117.51 120.62 1gwp h ILE 129 Ca 0.50 -0.21 0.05 0.00 1.00 0.00 0.00 64.86 66.20 1gwp h ILE 129 Cb 1.53 0.37 -0.06 0.00 -0.74 0.00 0.00 36.82 37.92 1gwp h ILE 129 CO -0.14 0.03 0.64 0.22 0.00 0.00 0.00 178.15 178.89 1gwp h TYR 130 N -0.99 1.19 -0.77 1.37 3.20 0.11 -0.01 116.97 121.06 1gwp h TYR 130 Ca -0.09 0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.85 1gwp h TYR 130 Cb 0.69 -0.39 -0.05 0.00 1.54 0.00 0.00 36.73 38.51 1gwp h TYR 130 CO -0.01 0.66 0.48 -0.22 -1.64 0.00 0.00 178.16 177.44 1gwp h LYS 131 N 1.21 0.90 -0.33 1.82 3.64 -0.52 0.27 116.57 123.57 1gwp h LYS 131 Ca 0.40 -0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 59.62 1gwp h LYS 131 Cb 0.07 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 1gwp h LYS 131 CO -0.14 0.60 -0.25 -0.09 -2.27 0.00 0.00 179.45 177.29 1gwp h ARG 132 N 0.93 0.65 0.41 1.90 2.43 0.03 -1.03 114.38 119.70 1gwp h ARG 132 Ca 0.32 -0.26 -0.02 0.00 -0.81 0.00 0.00 59.98 59.20 1gwp h ARG 132 Cb 0.05 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 1gwp h ARG 132 CO -0.13 0.84 -0.19 -1.49 -1.51 0.00 0.00 179.97 177.49 1gwp h TRP 133 N 0.57 -0.50 -0.80 2.20 4.06 0.17 0.46 115.95 122.10 1gwp h TRP 133 Ca 0.08 -0.01 0.17 0.00 2.06 0.00 0.00 58.89 61.19 1gwp h TRP 133 Cb 0.73 0.17 -0.15 0.00 -1.00 0.00 0.00 29.16 28.91 1gwp h TRP 133 CO 0.03 -0.31 -0.13 0.82 -3.56 0.00 0.00 178.44 175.29 1gwp h ILE 134 N -0.66 0.22 -0.59 1.49 2.04 -0.55 1.57 117.51 121.04 1gwp h ILE 134 Ca -0.06 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 1gwp h ILE 134 Cb 0.42 0.19 -0.03 0.00 -0.74 0.00 0.00 36.82 36.66 1gwp h ILE 134 CO 0.09 0.00 0.32 0.40 0.00 0.00 0.00 178.15 178.97 1gwp h ILE 135 N 0.03 1.18 -0.44 -0.67 5.03 -1.12 -1.33 117.51 120.19 1gwp h ILE 135 Ca 0.41 -0.45 0.06 0.00 -0.12 0.00 0.00 64.86 64.75 1gwp h ILE 135 Cb 0.67 0.39 -0.05 0.00 -3.03 0.00 0.00 36.82 34.80 1gwp h ILE 135 CO -0.79 0.20 0.15 0.25 -0.68 0.00 0.00 178.15 177.28 1gwp h LEU 136 N 0.82 0.15 0.00 1.44 6.46 0.71 0.24 115.31 125.13 1gwp h LEU 136 Ca 0.21 0.05 -0.00 0.00 -0.12 0.00 0.00 57.88 58.02 1gwp h LEU 136 Cb 0.02 0.04 0.00 0.00 -0.73 0.00 0.00 40.66 40.00 1gwp h LEU 136 CO -0.03 0.12 -0.00 1.23 -0.62 0.00 0.00 178.44 179.13 1gwp h GLY 137 N 0.32 -0.00 0.32 3.75 0.00 -0.36 -1.04 103.07 106.06 1gwp h GLY 137 Ca 0.21 0.00 0.12 0.00 0.00 0.00 0.00 47.33 47.66 1gwp h GLY 137 CO -0.22 -0.00 0.40 1.41 0.00 0.00 0.00 176.54 178.13 1gwp h LEU 138 N -0.21 0.50 -0.35 3.11 3.38 -0.80 0.55 115.31 121.48 1gwp h LEU 138 Ca -0.00 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1gwp h LEU 138 Cb 0.21 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1gwp h LEU 138 CO 0.00 0.24 0.20 -1.13 0.09 0.00 0.00 178.44 177.84 1gwp h ASN 139 N 0.62 0.43 -0.50 -0.43 -1.24 -0.29 0.24 115.58 114.40 1gwp h ASN 139 Ca 0.42 -0.07 -0.02 0.00 0.71 0.00 0.00 56.30 57.33 1gwp h ASN 139 Cb 0.53 -0.11 -0.03 0.00 0.73 0.00 0.00 38.32 39.45 1gwp h ASN 139 CO -0.33 0.38 0.24 0.11 -1.29 0.00 0.00 177.43 176.54 1gwp h LYS 140 N 0.44 0.77 -0.08 6.67 1.57 0.37 0.44 116.57 126.75 1gwp h LYS 140 Ca 0.12 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1gwp h LYS 140 Cb 0.04 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.20 1gwp h LYS 140 CO -0.02 0.61 0.00 0.82 -0.57 0.00 0.00 179.45 180.29 1gwp h ILE 141 N 0.76 1.25 -0.28 1.86 2.04 0.84 0.84 117.51 124.81 1gwp h ILE 141 Ca 0.19 -0.77 -0.05 0.00 1.00 0.00 0.00 64.86 65.23 1gwp h ILE 141 Cb 0.11 1.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.79 1gwp h ILE 141 CO -0.02 0.22 -0.04 0.58 0.00 0.00 0.00 178.15 178.88 1gwp h VAL 142 N -0.14 1.19 -0.12 1.67 2.07 -0.06 -1.50 116.25 119.36 1gwp h VAL 142 Ca 0.02 -0.79 -0.02 0.00 0.82 0.00 0.00 66.70 66.74 1gwp h VAL 142 Cb 0.34 1.02 -0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1gwp h VAL 142 CO 0.00 0.26 0.00 -0.09 0.02 0.00 0.00 177.57 177.77 1gwp h ARG 143 N 0.42 0.20 -0.45 1.57 2.43 0.16 -2.59 114.38 116.12 1gwp h ARG 143 Ca 0.09 -0.06 0.03 0.00 -0.81 0.00 0.00 59.98 59.22 1gwp h ARG 143 Cb 0.34 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.84 1gwp h ARG 143 CO 0.01 0.44 0.26 1.98 -1.51 0.00 0.00 179.97 181.15 1gwp h MET 144 N -0.06 0.50 -0.39 0.20 4.05 -0.49 -2.65 114.93 116.09 1gwp h MET 144 Ca 0.03 -0.03 0.08 0.00 -0.28 0.00 0.00 59.70 59.50 1gwp h MET 144 Cb 0.35 -0.11 -0.07 0.00 -0.80 0.00 0.00 31.60 30.96 1gwp h MET 144 CO 0.01 0.33 -0.08 1.88 0.23 0.00 0.00 176.91 179.27 1gwp h TYR 145 N 0.51 -0.18 -3.74 1.39 -1.99 -1.21 -3.41 116.97 108.34 1gwp h TYR 145 Ca 0.18 0.03 -0.49 0.00 2.00 0.00 0.00 58.73 60.46 1gwp h TYR 145 Cb 0.04 0.14 -0.02 0.00 2.00 0.00 0.00 36.73 38.89 1gwp h TYR 145 CO -0.08 -0.15 0.33 0.45 -0.00 0.00 0.00 178.16 178.71 1gwp s SER 146 N -5.22 7.59 -1.11 3.88 0.15 -0.99 -4.94 113.70 113.06 1gwp s SER 146 Ca -0.14 1.90 -0.18 0.00 0.70 0.00 0.00 55.95 58.23 1gwp s SER 146 Cb 0.14 -2.59 -0.06 0.00 -1.71 0.00 0.00 66.02 61.80 1gwp s SER 146 CO 0.71 0.14 2.04 -0.81 1.20 0.00 0.00 173.24 176.52 1gwp n PRO 147 N 1.41 2.17 -2.26 5.44 -0.04 -1.26 -4.65 135.00 135.81 1gwp n PRO 147 Ca -0.02 -2.28 -0.01 0.00 -0.04 0.00 0.00 63.50 61.15 1gwp n PRO 147 Cb 0.48 -3.16 0.00 0.00 -0.04 0.00 0.00 33.50 30.78 1gwp n PRO 147 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1gwp n THR 148 N 5.76 -1.34 -3.51 0.52 5.66 -1.26 -4.85 114.28 115.25 1gwp n THR 148 Ca 0.50 0.31 -0.36 0.00 -3.05 0.00 0.00 64.05 61.45 1gwp n THR 148 Cb 0.41 -1.96 -0.05 0.00 -1.55 0.00 0.00 70.33 67.17 1gwp n THR 148 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1gwp n SER 149 N 1.32 4.53 -4.97 1.09 7.64 -1.26 -5.04 113.62 116.92 1gwp n SER 149 Ca -0.00 -3.21 -0.22 0.00 1.01 0.00 0.00 58.87 56.45 1gwp n SER 149 Cb 0.33 -1.05 0.03 0.00 -1.01 0.00 0.00 64.21 62.51 1gwp n SER 149 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 1gwp s ILE 150 N -1.72 2.05 -2.00 0.44 -5.25 -1.26 -5.21 121.20 108.25 1gwp s ILE 150 Ca 0.30 -1.21 0.03 0.00 -0.99 0.00 0.00 60.65 58.78 1gwp s ILE 150 Cb -0.03 -2.26 0.07 0.00 2.95 0.00 0.00 42.46 43.20 1gwp s ILE 150 CO -0.08 0.00 0.64 0.18 -1.79 0.00 0.00 174.94 173.89