#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gwp s ILE 2 N 0.00 5.29 0.05 0.52 -1.09 -1.24 -1.44 121.20 123.28 1gwp s ILE 2 Ca 0.00 -0.45 -0.01 0.00 -2.23 0.00 0.00 60.65 57.96 1gwp s ILE 2 Cb 0.00 -3.59 -0.04 0.00 -1.58 0.00 0.00 42.46 37.26 1gwp s ILE 2 CO 0.00 0.12 -0.02 0.68 -1.23 0.00 0.00 174.94 174.49 1gwp s VAL 3 N -1.51 0.21 -0.27 2.92 -7.23 0.60 -4.95 120.40 110.16 1gwp s VAL 3 Ca 0.34 -1.71 -0.07 0.00 -1.81 0.00 0.00 61.98 58.74 1gwp s VAL 3 Cb -0.13 -1.40 -0.01 0.00 0.56 0.00 0.00 36.38 35.40 1gwp s VAL 3 CO 0.27 -0.94 0.08 0.00 -0.31 0.00 0.00 175.10 174.20 1gwp s GLN 4 N -3.70 3.36 1.01 4.82 -2.07 -1.26 -1.41 119.66 120.41 1gwp s GLN 4 Ca 0.05 -0.68 -0.14 0.00 -1.82 0.00 0.00 55.36 52.77 1gwp s GLN 4 Cb 0.06 -3.35 0.17 0.00 -1.09 0.00 0.00 33.01 28.80 1gwp s GLN 4 CO -0.09 -0.33 0.33 0.09 -1.32 0.00 0.00 175.29 173.98 1gwp n ASN 5 N 4.90 -3.03 -0.06 12.60 3.02 0.17 -4.89 115.26 127.97 1gwp n ASN 5 Ca -0.15 -0.40 -0.07 0.00 -0.03 0.00 0.00 54.58 53.93 1gwp n ASN 5 Cb 0.50 -0.77 -0.06 0.00 -0.61 0.00 0.00 39.78 38.83 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 -2.71 0.00 0.10 3.41 3.38 -1.99 -3.38 115.31 114.12 1gwp h LEU 6 Ca -0.25 -0.47 0.01 0.00 0.09 0.00 0.00 57.88 57.26 1gwp h LEU 6 Cb 0.77 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.49 1gwp h LEU 6 CO 0.15 0.74 -0.40 1.56 0.09 0.00 0.00 178.44 180.59 1gwp h GLN 7 N -1.00 -0.55 0.00 1.13 1.08 -2.06 -3.45 115.11 110.25 1gwp h GLN 7 Ca -0.00 0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 1gwp h GLN 7 Cb 0.48 0.13 0.00 0.00 -0.05 0.00 0.00 27.48 28.04 1gwp h GLN 7 CO -0.00 -0.37 0.00 0.41 -0.95 0.00 0.00 178.83 177.92 1gwp n GLY 8 N -1.37 -1.35 3.25 3.46 0.00 -1.26 -5.18 105.19 102.73 1gwp n GLY 8 Ca -0.06 0.51 -0.11 0.00 0.00 0.00 0.00 46.02 46.36 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 0.86 -0.27 1.61 -1.52 -1.26 -4.97 119.66 114.10 1gwp s GLN 9 Ca 0.00 -0.66 -0.07 0.00 -1.95 0.00 0.00 55.36 52.68 1gwp s GLN 9 Cb 0.00 0.37 -0.01 0.00 -0.22 0.00 0.00 33.01 33.15 1gwp s GLN 9 CO 0.00 -0.29 0.07 -1.64 -0.25 0.00 0.00 175.29 173.19 1gwp s MET 10 N -3.09 3.38 0.08 2.91 -1.94 -1.26 0.45 119.30 119.85 1gwp s MET 10 Ca -0.01 -0.66 0.04 0.00 -1.71 0.00 0.00 55.69 53.35 1gwp s MET 10 Cb 0.01 -3.33 -0.03 0.00 2.01 0.00 0.00 34.83 33.48 1gwp s MET 10 CO -0.07 -0.31 -0.10 0.14 -0.01 0.00 0.00 175.02 174.68 1gwp s VAL 11 N 1.56 0.88 0.19 -6.03 -7.23 -0.50 -4.99 120.40 104.28 1gwp s VAL 11 Ca 0.05 -1.53 0.05 0.00 -1.81 0.00 0.00 61.98 58.74 1gwp s VAL 11 Cb -0.16 -1.22 -0.04 0.00 0.56 0.00 0.00 36.38 35.52 1gwp s VAL 11 CO 0.03 -0.51 0.19 -1.38 -0.31 0.00 0.00 175.10 173.11 1gwp s HIS 12 N -2.20 3.21 -0.29 2.82 -3.43 -1.26 -0.29 115.29 113.85 1gwp s HIS 12 Ca 0.02 -0.02 0.13 0.00 -0.80 0.00 0.00 55.06 54.40 1gwp s HIS 12 Cb -0.04 -1.51 0.48 0.00 -1.43 0.00 0.00 32.58 30.07 1gwp s HIS 12 CO 0.00 0.51 1.14 1.04 -2.00 0.00 0.00 174.74 175.44 1gwp n GLN 13 N -0.64 2.76 -0.21 -0.38 3.00 -0.52 -4.93 117.38 116.47 1gwp n GLN 13 Ca -0.08 -3.90 0.03 0.00 -0.01 0.00 0.00 57.00 53.04 1gwp n GLN 13 Cb 0.55 -1.97 -0.01 0.00 0.00 0.00 0.00 30.24 28.82 1gwp n GLN 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1gwp n ALA 14 N -0.62 -1.03 -1.82 -1.58 0.00 -1.26 -4.48 120.51 109.72 1gwp n ALA 14 Ca 0.28 0.07 -0.09 0.00 0.00 0.00 0.00 53.44 53.70 1gwp n ALA 14 Cb 0.88 -0.31 0.07 0.00 0.00 0.00 0.00 19.45 20.08 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 -1.19 0.00 -4.43 0.00 3.06 -1.26 -0.28 119.36 115.26 1gwp n ILE 15 Ca 0.00 -0.50 -0.25 0.00 -2.50 0.00 0.00 62.75 59.51 1gwp n ILE 15 Cb 0.10 -1.53 -0.13 0.00 0.54 0.00 0.00 39.64 38.61 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 -2.81 2.53 0.07 9.51 0.15 -1.26 -4.81 113.70 117.07 1gwp s SER 16 Ca 0.29 -0.62 -0.15 0.00 0.70 0.00 0.00 55.95 56.17 1gwp s SER 16 Cb -0.01 -0.17 -0.21 0.00 -1.71 0.00 0.00 66.02 63.92 1gwp s SER 16 CO 0.20 0.10 1.21 1.55 1.20 0.00 0.00 173.24 177.50 1gwp h PRO 17 N 4.39 0.68 -0.28 5.44 0.13 -1.99 -2.01 132.00 138.36 1gwp h PRO 17 Ca -0.45 -0.66 -0.02 0.00 -0.87 0.00 0.00 66.00 64.00 1gwp h PRO 17 Cb 1.17 0.17 -0.01 0.00 0.13 0.00 0.00 31.00 32.46 1gwp h PRO 17 CO 0.41 1.26 0.09 0.00 -0.23 0.00 0.00 178.00 179.53 1gwp h ARG 18 N 0.35 0.39 0.12 0.86 3.08 -1.98 0.56 114.38 117.77 1gwp h ARG 18 Ca -0.09 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.90 1gwp h ARG 18 Cb 1.52 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.50 1gwp h ARG 18 CO 0.17 0.35 -0.06 1.15 -1.07 0.00 0.00 179.97 180.51 1gwp h THR 19 N 0.39 0.92 -0.94 2.04 2.02 -1.98 -1.60 112.91 113.77 1gwp h THR 19 Ca 0.10 -1.26 0.03 0.00 0.77 0.00 0.00 66.41 66.04 1gwp h THR 19 Cb 0.12 1.58 -0.05 0.00 -1.74 0.00 0.00 68.15 68.05 1gwp h THR 19 CO -0.01 0.25 0.62 -0.07 0.37 0.00 0.00 175.52 176.68 1gwp h LEU 20 N -0.87 1.04 0.79 2.58 3.38 -1.18 0.29 115.31 121.33 1gwp h LEU 20 Ca -0.02 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1gwp h LEU 20 Cb 0.54 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 41.05 1gwp h LEU 20 CO 0.03 0.73 -0.38 -1.13 0.09 0.00 0.00 178.44 177.78 1gwp h ASN 21 N 1.21 -0.89 -0.78 -0.43 -1.24 0.08 0.11 115.58 113.63 1gwp h ASN 21 Ca 0.36 0.03 0.15 0.00 0.71 0.00 0.00 56.30 57.55 1gwp h ASN 21 Cb -0.04 0.23 -0.10 0.00 0.73 0.00 0.00 38.32 39.14 1gwp h ASN 21 CO -0.10 -0.63 0.33 0.00 -1.29 0.00 0.00 177.43 175.74 1gwp h ALA 22 N -1.49 1.12 0.27 1.57 0.00 -1.05 -0.43 119.26 119.25 1gwp h ALA 22 Ca -0.11 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1gwp h ALA 22 Cb 0.81 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1gwp h ALA 22 CO 0.18 -0.20 -0.49 2.35 0.00 0.00 0.00 179.25 181.09 1gwp h TRP 23 N 0.47 -1.40 -0.86 0.00 2.91 -0.19 0.51 115.95 117.39 1gwp h TRP 23 Ca 0.43 0.03 0.22 0.00 1.13 0.00 0.00 58.89 60.70 1gwp h TRP 23 Cb 0.66 0.58 -0.14 0.00 -0.51 0.00 0.00 29.16 29.74 1gwp h TRP 23 CO -0.15 -0.60 0.16 0.28 -1.03 0.00 0.00 178.44 177.10 1gwp h VAL 24 N -0.82 0.29 -0.69 2.65 2.07 0.51 1.13 116.25 121.39 1gwp h VAL 24 Ca -0.03 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 1gwp h VAL 24 Cb 0.77 0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 1gwp h VAL 24 CO -0.18 0.03 0.42 0.11 0.02 0.00 0.00 177.57 177.97 1gwp h LYS 25 N 0.16 0.92 0.31 1.57 1.57 0.43 -0.64 116.57 120.90 1gwp h LYS 25 Ca 0.52 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 59.21 1gwp h LYS 25 Cb 1.04 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.15 1gwp h LYS 25 CO -0.69 0.65 -0.15 0.28 -0.57 0.00 0.00 179.45 178.97 1gwp h VAL 26 N 0.93 0.00 -1.17 0.50 2.07 0.60 -1.32 116.25 117.86 1gwp h VAL 26 Ca 0.25 -0.05 0.44 0.00 0.82 0.00 0.00 66.70 68.15 1gwp h VAL 26 Cb -0.05 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 29.56 1gwp h VAL 26 CO -0.05 0.00 0.70 0.58 0.02 0.00 0.00 177.57 178.82 1gwp h VAL 27 N -0.47 0.03 0.18 2.57 2.07 -0.07 2.47 116.25 123.02 1gwp h VAL 27 Ca -0.04 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 1gwp h VAL 27 Cb 0.32 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.09 1gwp h VAL 27 CO 0.07 0.00 -0.09 -0.08 0.02 0.00 0.00 177.57 177.50 1gwp h GLU 28 N 0.02 -0.23 -0.07 1.57 4.57 -0.84 1.69 114.58 121.30 1gwp h GLU 28 Ca 0.86 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 59.05 1gwp h GLU 28 Cb 2.47 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 31.11 1gwp h GLU 28 CO -0.62 -0.06 0.00 -1.91 -1.18 0.00 0.00 179.01 175.24 1gwp n GLU 29 N -5.14 1.41 0.00 1.92 2.13 0.40 -4.53 120.64 116.83 1gwp n GLU 29 Ca -0.09 -0.62 0.00 0.00 0.66 0.00 0.00 57.16 57.12 1gwp n GLU 29 Cb 0.16 -1.39 0.00 0.00 0.27 0.00 0.00 31.44 30.48 1gwp n GLU 29 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1gwp n LYS 30 N -0.19 0.00 -0.89 5.31 4.01 0.73 -5.04 118.16 122.09 1gwp n LYS 30 Ca 0.17 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.97 1gwp n LYS 30 Cb 0.23 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.75 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 -1.81 -0.27 -3.44 7.82 0.00 0.57 -4.49 120.51 118.88 1gwp n ALA 31 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 1gwp n ALA 31 Cb 0.00 -0.29 0.06 0.00 0.00 0.00 0.00 19.45 19.22 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 -0.86 -2.21 -2.28 0.00 3.01 -1.26 -5.00 117.46 108.86 1gwp n PHE 32 Ca 0.00 0.79 -0.26 0.00 1.01 0.00 0.00 57.45 59.00 1gwp n PHE 32 Cb 0.29 -4.23 0.11 0.00 -0.01 0.00 0.00 39.48 35.64 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 -3.76 4.29 0.00 4.37 1.04 -1.26 -4.68 113.70 113.70 1gwp s SER 33 Ca 0.29 0.13 0.24 0.00 0.48 0.00 0.00 55.95 57.09 1gwp s SER 33 Cb -0.06 -0.57 1.37 0.00 0.10 0.00 0.00 66.02 66.87 1gwp s SER 33 CO 0.77 -1.93 1.78 -0.81 0.98 0.00 0.00 173.24 174.04 1gwp n PRO 34 N -3.06 0.66 -0.18 4.02 -0.04 -1.26 -2.17 135.00 132.96 1gwp n PRO 34 Ca 0.12 0.01 0.08 0.00 -0.04 0.00 0.00 63.50 63.68 1gwp n PRO 34 Cb 0.60 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.72 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 2.08 -0.00 0.54 2.13 -1.26 -4.44 120.64 118.63 1gwp n GLU 35 Ca 0.16 -2.51 0.05 0.00 0.66 0.00 0.00 57.16 55.52 1gwp n GLU 35 Cb 0.10 -1.54 -0.06 0.00 0.27 0.00 0.00 31.44 30.22 1gwp n GLU 35 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1gwp n VAL 36 N -0.93 0.00 -0.11 6.31 0.31 -0.92 -4.22 118.33 118.78 1gwp n VAL 36 Ca 0.16 -0.27 -0.13 0.00 -0.01 0.00 0.00 64.34 64.09 1gwp n VAL 36 Cb 0.66 0.99 -0.03 0.00 -0.91 0.00 0.00 33.84 34.55 1gwp n VAL 36 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1gwp h ILE 37 N 0.00 1.29 -0.02 2.52 1.08 -1.78 -0.74 117.51 119.86 1gwp h ILE 37 Ca 0.00 -1.42 -0.20 0.00 -0.39 0.00 0.00 64.86 62.85 1gwp h ILE 37 Cb 0.24 1.48 -0.01 0.00 -3.07 0.00 0.00 36.82 35.46 1gwp h ILE 37 CO 0.00 0.46 -0.84 1.55 -0.69 0.00 0.00 178.15 178.63 1gwp h PRO 38 N 0.52 0.31 -0.41 2.37 0.13 -1.87 -1.77 132.00 131.29 1gwp h PRO 38 Ca 0.06 -0.30 -0.11 0.00 -0.87 0.00 0.00 66.00 64.77 1gwp h PRO 38 Cb 0.83 0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.02 1gwp h PRO 38 CO 0.07 0.99 -0.20 1.98 -0.23 0.00 0.00 178.00 180.60 1gwp h MET 39 N 0.19 0.81 -0.06 0.86 4.05 -1.71 -1.17 114.93 117.89 1gwp h MET 39 Ca -0.05 -0.32 -0.10 0.00 -0.28 0.00 0.00 59.70 58.95 1gwp h MET 39 Cb 1.44 -0.04 0.01 0.00 -0.80 0.00 0.00 31.60 32.21 1gwp h MET 39 CO 0.14 0.94 -0.37 0.35 0.23 0.00 0.00 176.91 178.20 1gwp h PHE 40 N 0.71 0.49 -0.86 1.39 3.04 -1.13 0.62 116.94 121.19 1gwp h PHE 40 Ca 0.10 -0.22 0.02 0.00 3.98 0.00 0.00 57.97 61.85 1gwp h PHE 40 Cb 0.72 -0.07 -0.05 0.00 2.56 0.00 0.00 35.95 39.11 1gwp h PHE 40 CO 0.04 0.98 0.57 0.66 -2.02 0.00 0.00 178.31 178.53 1gwp h SER 41 N -0.14 0.95 0.63 0.41 4.64 -1.29 -0.88 113.55 117.87 1gwp h SER 41 Ca -0.03 -0.02 -0.20 0.00 -0.47 0.00 0.00 61.79 61.07 1gwp h SER 41 Cb 1.03 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.88 1gwp h SER 41 CO 0.08 0.67 -0.92 0.00 -0.87 0.00 0.00 176.83 175.78 1gwp h ALA 42 N 1.48 0.47 -0.55 5.18 0.00 -1.22 -1.20 119.26 123.43 1gwp h ALA 42 Ca 0.33 -0.76 0.03 0.00 0.00 0.00 0.00 54.91 54.52 1gwp h ALA 42 Cb -0.04 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1gwp h ALA 42 CO -0.09 0.95 0.31 -0.07 0.00 0.00 0.00 179.25 180.36 1gwp h LEU 43 N 0.09 0.49 0.00 0.00 3.38 0.39 -3.35 115.31 116.31 1gwp h LEU 43 Ca -0.05 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1gwp h LEU 43 Cb 1.57 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.23 1gwp h LEU 43 CO 0.14 0.34 0.00 -0.24 0.09 0.00 0.00 178.44 178.77 1gwp n SER 44 N -4.80 0.00 0.00 -0.43 2.88 -0.46 -4.91 113.62 105.90 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 0.10 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.56 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 -0.56 0.00 0.00 -1.46 2.13 -0.46 -3.95 120.64 116.34 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 -1.09 0.00 0.00 0.27 0.00 0.00 31.44 30.62 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 3.71 8.31 0.00 -1.26 -4.91 105.19 109.04 1gwp n GLY 46 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 1.31 0.80 4.61 0.00 -1.25 -3.72 121.76 123.50 1gwp s ALA 47 Ca 0.00 -0.26 -0.03 0.00 0.00 0.00 0.00 51.96 51.67 1gwp s ALA 47 Cb 0.00 -3.14 0.06 0.00 0.00 0.00 0.00 23.12 20.05 1gwp s ALA 47 CO 0.00 -2.55 0.38 0.25 0.00 0.00 0.00 175.76 173.84 1gwp n THR 48 N -4.00 0.00 0.07 0.00 -2.24 -1.26 -4.65 114.28 102.21 1gwp n THR 48 Ca 0.06 -0.39 -0.10 0.00 -2.27 0.00 0.00 64.05 61.35 1gwp n THR 48 Cb 0.57 -1.60 0.00 0.00 -2.10 0.00 0.00 70.33 67.20 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 0.32 0.07 -0.78 0.13 -1.92 -1.44 132.00 128.38 1gwp h PRO 49 Ca -0.12 -0.31 -0.25 0.00 -0.87 0.00 0.00 66.00 64.45 1gwp h PRO 49 Cb 0.38 0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.59 1gwp h PRO 49 CO 0.10 0.98 -1.09 1.96 -0.23 0.00 0.00 178.00 179.72 1gwp h GLN 50 N 0.20 0.34 0.36 0.86 4.20 -1.95 -0.49 115.11 118.62 1gwp h GLN 50 Ca -0.05 -0.46 -0.02 0.00 0.06 0.00 0.00 58.65 58.18 1gwp h GLN 50 Cb 1.43 0.15 0.00 0.00 0.30 0.00 0.00 27.48 29.37 1gwp h GLN 50 CO 0.14 1.16 -0.17 -0.44 -0.67 0.00 0.00 178.83 178.85 1gwp h ASP 51 N 0.15 -0.40 -0.42 1.46 5.19 -1.93 -0.19 116.42 120.28 1gwp h ASP 51 Ca -0.11 -0.15 -0.00 0.00 -0.62 0.00 0.00 57.03 56.15 1gwp h ASP 51 Cb 1.77 0.10 -0.02 0.00 0.18 0.00 0.00 39.33 41.37 1gwp h ASP 51 CO 0.18 -0.01 0.26 -0.07 -3.12 0.00 0.00 179.24 176.48 1gwp h LEU 52 N -0.86 0.51 -0.89 1.55 3.38 -1.37 -0.87 115.31 116.76 1gwp h LEU 52 Ca -0.05 -0.05 0.11 0.00 0.09 0.00 0.00 57.88 57.98 1gwp h LEU 52 Cb 0.53 -0.13 -0.08 0.00 0.09 0.00 0.00 40.66 41.07 1gwp h LEU 52 CO 0.08 0.41 0.52 -1.13 0.09 0.00 0.00 178.44 178.41 1gwp h ASN 53 N 0.56 0.73 -0.10 -0.43 -1.24 -1.09 -0.61 115.58 113.40 1gwp h ASN 53 Ca 0.15 0.06 -0.01 0.00 0.71 0.00 0.00 56.30 57.21 1gwp h ASN 53 Cb -0.00 -0.08 -0.00 0.00 0.73 0.00 0.00 38.32 38.96 1gwp h ASN 53 CO -0.03 0.39 0.04 0.74 -1.29 0.00 0.00 177.43 177.28 1gwp h THR 54 N 0.82 1.14 -0.98 -3.57 2.02 -0.21 0.39 112.91 112.52 1gwp h THR 54 Ca 0.44 -0.41 0.14 0.00 0.77 0.00 0.00 66.41 67.35 1gwp h THR 54 Cb 0.46 1.22 -0.09 0.00 -1.74 0.00 0.00 68.15 68.01 1gwp h THR 54 CO -0.27 0.12 0.62 -0.03 0.37 0.00 0.00 175.52 176.32 1gwp h MET 55 N 0.02 0.86 0.03 6.66 1.85 -0.01 0.53 114.93 124.87 1gwp h MET 55 Ca 0.03 -0.05 -0.23 0.00 -0.61 0.00 0.00 59.70 58.84 1gwp h MET 55 Cb 0.15 -0.19 0.00 0.00 0.43 0.00 0.00 31.60 31.99 1gwp h MET 55 CO -0.00 0.57 -1.00 -0.07 -0.40 0.00 0.00 176.91 176.01 1gwp h LEU 56 N 0.89 0.50 -1.53 3.39 4.07 -0.82 -3.05 115.31 118.76 1gwp h LEU 56 Ca 0.50 -0.42 -0.05 0.00 0.08 0.00 0.00 57.88 57.99 1gwp h LEU 56 Cb 0.61 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 42.19 1gwp h LEU 56 CO -0.27 1.24 -0.24 -1.13 -1.08 0.00 0.00 178.44 176.96 1gwp h ASN 57 N 0.19 0.00 0.70 -0.43 -1.24 0.19 -3.05 115.58 111.94 1gwp h ASN 57 Ca -0.09 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 56.89 1gwp h ASN 57 Cb 1.65 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.69 1gwp h ASN 57 CO 0.17 0.24 -0.44 0.74 -1.29 0.00 0.00 177.43 176.84 1gwp h THR 58 N 0.00 0.11 -2.62 -3.57 2.02 0.06 -3.43 112.91 105.48 1gwp h THR 58 Ca -0.00 0.00 -0.32 0.00 0.77 0.00 0.00 66.41 66.86 1gwp h THR 58 Cb 0.51 0.11 0.19 0.00 -1.74 0.00 0.00 68.15 67.21 1gwp h THR 58 CO 0.03 0.00 -0.20 0.55 0.37 0.00 0.00 175.52 176.28 1gwp n VAL 59 N -5.58 0.00 0.00 3.16 3.14 -1.16 -5.00 118.33 112.90 1gwp n VAL 59 Ca -0.14 -0.05 0.00 0.00 -2.96 0.00 0.00 64.34 61.19 1gwp n VAL 59 Cb 0.46 -0.82 0.00 0.00 -1.06 0.00 0.00 33.84 32.42 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 2.02 -1.34 2.62 7.55 0.00 -1.26 -5.02 105.19 109.76 1gwp n GLY 60 Ca 0.10 0.42 -0.05 0.00 0.00 0.00 0.00 46.02 46.49 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 0.00 1.18 0.00 -0.02 0.00 -1.26 -5.04 105.19 100.05 1gwp n GLY 61 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1gwp n GLY 61 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1gwp n HIS 62 N -0.85 0.00 -0.10 1.61 -0.00 -1.26 -5.01 115.22 109.62 1gwp n HIS 62 Ca -0.10 0.00 0.26 0.00 -0.00 0.00 0.00 57.72 57.88 1gwp n HIS 62 Cb 0.82 0.00 0.71 0.00 -0.00 0.00 0.00 29.99 31.52 1gwp n HIS 62 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.34 178.30 1gwp h GLN 63 N 0.00 0.00 -0.09 -1.40 4.20 -1.98 0.38 115.11 116.22 1gwp h GLN 63 Ca 0.00 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 1gwp h GLN 63 Cb 0.00 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 1gwp h GLN 63 CO 0.00 0.00 -0.05 0.00 -0.67 0.00 0.00 178.83 178.11 1gwp h ALA 64 N 1.42 0.13 0.80 3.87 0.00 -1.97 0.47 119.26 123.98 1gwp h ALA 64 Ca 0.36 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1gwp h ALA 64 Cb 1.65 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.41 1gwp h ALA 64 CO -0.00 -0.09 -0.39 0.00 0.00 0.00 0.00 179.25 178.77 1gwp h ALA 65 N 0.62 -1.08 -0.83 0.00 0.00 -0.70 -1.04 119.26 116.23 1gwp h ALA 65 Ca 0.02 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.74 1gwp h ALA 65 Cb 0.52 0.42 -0.05 0.00 0.00 0.00 0.00 17.79 18.68 1gwp h ALA 65 CO 0.02 -1.11 0.54 0.52 0.00 0.00 0.00 179.25 179.22 1gwp h MET 66 N -1.08 0.96 0.24 0.00 2.07 -1.23 0.98 114.93 116.87 1gwp h MET 66 Ca -0.11 -0.06 0.01 0.00 -2.07 0.00 0.00 59.70 57.47 1gwp h MET 66 Cb 0.83 -0.22 -0.03 0.00 -1.87 0.00 0.00 31.60 30.31 1gwp h MET 66 CO 0.18 0.64 -0.31 0.37 1.07 0.00 0.00 176.91 178.85 1gwp h GLN 67 N 0.99 -0.58 0.00 1.72 -0.00 0.27 -0.49 115.11 117.02 1gwp h GLN 67 Ca 0.34 0.04 -0.05 0.00 -0.00 0.00 0.00 58.65 58.98 1gwp h GLN 67 Cb 0.09 0.13 -0.01 0.00 0.00 0.00 0.00 27.48 27.70 1gwp h GLN 67 CO -0.11 -0.39 -0.24 0.52 0.00 0.00 0.00 178.83 178.61 1gwp h MET 68 N -0.60 0.00 -0.33 1.69 2.86 -0.79 -1.51 114.93 116.25 1gwp h MET 68 Ca 0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1gwp h MET 68 Cb 0.58 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.23 1gwp h MET 68 CO -0.11 0.24 0.16 1.25 1.06 0.00 0.00 176.91 179.51 1gwp h LEU 69 N 0.00 0.43 -0.09 1.22 7.12 0.16 0.33 115.31 124.48 1gwp h LEU 69 Ca -0.00 -0.13 -0.04 0.00 0.13 0.00 0.00 57.88 57.84 1gwp h LEU 69 Cb 0.55 -0.11 -0.00 0.00 -0.53 0.00 0.00 40.66 40.57 1gwp h LEU 69 CO 0.03 0.44 -0.11 0.11 -0.13 0.00 0.00 178.44 178.78 1gwp h LYS 70 N 0.40 0.24 -0.46 1.25 1.57 -0.82 -1.12 116.57 117.62 1gwp h LYS 70 Ca 0.11 -0.13 0.08 0.00 -1.87 0.00 0.00 60.65 58.84 1gwp h LYS 70 Cb 0.12 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.37 1gwp h LYS 70 CO -0.01 0.67 0.06 0.93 -0.57 0.00 0.00 179.45 180.53 1gwp h GLU 71 N -0.19 0.18 0.81 3.15 5.08 -1.13 0.19 114.58 122.66 1gwp h GLU 71 Ca 0.01 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1gwp h GLU 71 Cb 0.64 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.86 1gwp h GLU 71 CO 0.03 0.12 -0.39 1.15 -1.00 0.00 0.00 179.01 178.91 1gwp h THR 72 N 0.18 0.00 -0.83 1.13 2.02 -0.33 0.35 112.91 115.43 1gwp h THR 72 Ca 0.23 -0.09 0.17 0.00 0.77 0.00 0.00 66.41 67.49 1gwp h THR 72 Cb 0.32 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 66.57 1gwp h THR 72 CO -0.33 0.00 -0.20 0.40 0.37 0.00 0.00 175.52 175.76 1gwp h ILE 73 N -1.18 0.17 -0.84 3.11 1.08 -0.95 1.69 117.51 120.59 1gwp h ILE 73 Ca -0.11 -0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.38 1gwp h ILE 73 Cb 0.83 0.17 -0.05 0.00 -3.07 0.00 0.00 36.82 34.71 1gwp h ILE 73 CO 0.18 0.00 0.56 -1.13 -0.69 0.00 0.00 178.15 177.07 1gwp h ASN 74 N 0.00 0.93 0.76 1.72 -1.24 -0.50 -1.58 115.58 115.67 1gwp h ASN 74 Ca 0.40 -0.02 -0.04 0.00 0.71 0.00 0.00 56.30 57.36 1gwp h ASN 74 Cb 0.62 -0.22 0.01 0.00 0.73 0.00 0.00 38.32 39.46 1gwp h ASN 74 CO -0.85 0.65 -0.37 -0.33 -1.29 0.00 0.00 177.43 175.25 1gwp h GLU 75 N 1.09 -0.99 -0.88 6.67 5.08 0.45 0.21 114.58 126.20 1gwp h GLU 75 Ca 0.32 0.07 0.23 0.00 -1.00 0.00 0.00 59.36 58.99 1gwp h GLU 75 Cb -0.03 0.22 -0.15 0.00 0.50 0.00 0.00 28.75 29.29 1gwp h GLU 75 CO -0.09 -0.66 0.13 1.49 -1.00 0.00 0.00 179.01 178.88 1gwp h GLU 76 N -1.21 0.12 -0.12 2.33 4.22 -0.02 0.58 114.58 120.49 1gwp h GLU 76 Ca -0.10 -0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.32 1gwp h GLU 76 Cb 0.79 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 1gwp h GLU 76 CO 0.17 0.08 0.05 0.00 -2.18 0.00 0.00 179.01 177.13 1gwp h ALA 77 N 1.83 0.15 -0.45 2.92 0.00 -1.19 -0.11 119.26 122.40 1gwp h ALA 77 Ca 0.54 -0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.45 1gwp h ALA 77 Cb 1.08 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.75 1gwp h ALA 77 CO -0.74 -0.28 -0.01 0.00 0.00 0.00 0.00 179.25 178.22 1gwp h ALA 78 N 0.91 0.41 -0.62 0.00 0.00 0.21 0.17 119.26 120.34 1gwp h ALA 78 Ca 0.04 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1gwp h ALA 78 Cb 0.14 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1gwp h ALA 78 CO -0.00 -0.40 0.37 1.49 0.00 0.00 0.00 179.25 180.71 1gwp h GLU 79 N 0.10 0.83 -0.24 0.00 4.57 -0.18 -0.97 114.58 118.68 1gwp h GLU 79 Ca 0.22 -0.07 0.01 0.00 -1.18 0.00 0.00 59.36 58.35 1gwp h GLU 79 Cb 0.33 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 28.73 1gwp h GLU 79 CO -0.39 0.58 0.12 2.35 -1.18 0.00 0.00 179.01 180.49 1gwp h TRP 80 N 0.84 0.23 -0.36 0.92 2.91 0.12 0.39 115.95 120.99 1gwp h TRP 80 Ca 0.22 0.01 0.02 0.00 1.13 0.00 0.00 58.89 60.27 1gwp h TRP 80 Cb -0.04 -0.07 -0.03 0.00 -0.51 0.00 0.00 29.16 28.51 1gwp h TRP 80 CO 0.00 0.13 0.20 0.22 -1.03 0.00 0.00 178.44 177.96 1gwp h ASP 81 N 0.26 0.30 -0.97 2.65 1.82 -0.22 0.97 116.42 121.24 1gwp h ASP 81 Ca 0.10 0.01 0.03 0.00 -0.39 0.00 0.00 57.03 56.78 1gwp h ASP 81 Cb 0.02 -0.05 -0.05 0.00 0.68 0.00 0.00 39.33 39.93 1gwp h ASP 81 CO -0.07 0.22 0.64 -0.09 -1.61 0.00 0.00 179.24 178.33 1gwp h ARG 82 N 0.40 1.22 0.34 0.28 2.43 -0.52 -2.96 114.38 115.56 1gwp h ARG 82 Ca 0.15 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.23 1gwp h ARG 82 Cb 0.03 -0.27 0.00 0.00 -0.42 0.00 0.00 29.97 29.31 1gwp h ARG 82 CO -0.09 0.80 -0.16 -0.07 -1.51 0.00 0.00 179.97 178.94 1gwp h LEU 83 N 1.25 -0.39 -8.97 3.80 3.38 0.62 -3.42 115.31 111.58 1gwp h LEU 83 Ca 0.38 -0.14 -0.57 0.00 0.09 0.00 0.00 57.88 57.64 1gwp h LEU 83 Cb -0.04 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1gwp h LEU 83 CO -0.11 0.06 1.13 -1.00 0.09 0.00 0.00 178.44 178.61 1gwp s HIS 84 N -3.79 2.15 -1.20 1.13 3.76 0.33 -4.90 115.29 112.77 1gwp s HIS 84 Ca -0.11 0.61 -0.21 0.00 -0.15 0.00 0.00 55.06 55.19 1gwp s HIS 84 Cb 0.01 -4.04 -0.01 0.00 1.11 0.00 0.00 32.58 29.66 1gwp s HIS 84 CO 0.40 -2.70 1.81 -1.25 -0.85 0.00 0.00 174.74 172.16 1gwp s PRO 85 N 4.81 3.22 -0.29 8.40 0.04 -1.26 -4.68 135.00 145.24 1gwp s PRO 85 Ca 0.70 -1.46 -0.14 0.00 0.04 0.00 0.00 61.00 60.14 1gwp s PRO 85 Cb -0.22 -5.37 0.13 0.00 0.04 0.00 0.00 34.50 29.08 1gwp s PRO 85 CO 0.30 -3.07 0.83 0.54 0.04 0.00 0.00 177.00 175.64 1gwp s VAL 86 N 7.60 -0.39 0.04 -0.36 0.11 -1.26 -5.17 120.40 120.96 1gwp s VAL 86 Ca 0.61 0.00 -0.28 0.00 -2.93 0.00 0.00 61.98 59.38 1gwp s VAL 86 Cb 0.01 -1.00 0.09 0.00 -1.53 0.00 0.00 36.38 33.95 1gwp s VAL 86 CO 0.08 0.00 0.87 -2.28 -3.33 0.00 0.00 175.10 170.45 1gwp s HIS 87 N 2.11 -0.32 0.60 1.54 5.04 -1.26 -4.91 115.29 118.08 1gwp s HIS 87 Ca -0.07 0.15 0.00 0.00 -1.54 0.00 0.00 55.06 53.61 1gwp s HIS 87 Cb -0.07 0.56 0.00 0.00 0.04 0.00 0.00 32.58 33.11 1gwp s HIS 87 CO -0.18 -0.62 0.00 0.00 -2.34 0.00 0.00 174.74 171.60 1gwp n ALA 88 N -0.30 -3.65 0.00 1.58 0.00 -1.26 -5.08 120.51 111.81 1gwp n ALA 88 Ca -0.09 0.89 0.00 0.00 0.00 0.00 0.00 53.44 54.24 1gwp n ALA 88 Cb 0.62 -1.55 0.00 0.00 0.00 0.00 0.00 19.45 18.52 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 -4.27 3.06 3.56 0.00 0.00 -1.26 -5.01 105.19 101.27 1gwp n GLY 89 Ca -0.09 -1.11 -0.40 0.00 0.00 0.00 0.00 46.02 44.42 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 -4.67 3.01 0.28 1.61 0.04 -1.26 -4.99 135.00 129.02 1gwp s PRO 90 Ca 0.00 0.28 -0.05 0.00 0.04 0.00 0.00 61.00 61.27 1gwp s PRO 90 Cb 0.00 -4.25 -0.05 0.00 0.04 0.00 0.00 34.50 30.24 1gwp s PRO 90 CO 0.00 -2.31 0.54 0.42 0.04 0.00 0.00 177.00 175.69 1gwp s ILE 91 N 7.09 5.03 0.67 0.56 1.01 -1.26 -5.07 121.20 129.24 1gwp s ILE 91 Ca 0.52 0.07 -0.16 0.00 0.00 0.00 0.00 60.65 61.08 1gwp s ILE 91 Cb -0.11 -3.72 0.01 0.00 0.01 0.00 0.00 42.46 38.65 1gwp s ILE 91 CO 0.20 -0.29 1.16 0.00 0.00 0.00 0.00 174.94 176.01 1gwp s ALA 92 N -2.04 2.37 -1.07 9.38 0.00 -1.26 -4.88 121.76 124.25 1gwp s ALA 92 Ca 0.44 0.74 -0.22 0.00 0.00 0.00 0.00 51.96 52.91 1gwp s ALA 92 Cb -0.11 -3.39 -0.00 0.00 0.00 0.00 0.00 23.12 19.62 1gwp s ALA 92 CO 0.29 -1.43 1.75 -1.25 0.00 0.00 0.00 175.76 175.11 1gwp s PRO 93 N -3.88 3.14 0.00 0.00 0.04 -1.26 -1.89 135.00 131.15 1gwp s PRO 93 Ca 0.71 -1.05 0.00 0.00 0.04 0.00 0.00 61.00 60.71 1gwp s PRO 93 Cb -0.25 -5.28 0.00 0.00 0.04 0.00 0.00 34.50 29.01 1gwp s PRO 93 CO 0.41 -2.91 0.00 0.41 0.04 0.00 0.00 177.00 174.94 1gwp n GLY 94 N 6.39 0.29 3.59 0.56 0.00 -1.26 -5.09 105.19 109.67 1gwp n GLY 94 Ca 0.40 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.00 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 3.62 -0.81 1.61 -1.52 -0.79 -4.91 119.66 116.86 1gwp s GLN 95 Ca 0.00 0.55 -0.24 0.00 -1.95 0.00 0.00 55.36 53.72 1gwp s GLN 95 Cb 0.00 -3.97 -0.18 0.00 -0.22 0.00 0.00 33.01 28.64 1gwp s GLN 95 CO 0.00 -1.53 2.44 -0.12 -0.25 0.00 0.00 175.29 175.83 1gwp n MET 96 N 8.09 0.42 -2.73 2.91 0.00 -1.26 -4.80 117.12 119.76 1gwp n MET 96 Ca 0.12 -0.19 -0.21 0.00 -0.00 0.00 0.00 57.70 57.42 1gwp n MET 96 Cb 0.49 -2.45 0.03 0.00 0.00 0.00 0.00 33.22 31.29 1gwp n MET 96 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 175.97 174.99 1gwp s ARG 97 N 8.36 2.63 -0.08 2.12 1.70 -1.26 -5.02 118.95 127.41 1gwp s ARG 97 Ca 1.15 -0.81 -0.29 0.00 -0.47 0.00 0.00 55.73 55.30 1gwp s ARG 97 Cb -0.61 -2.53 -0.06 0.00 -0.57 0.00 0.00 34.95 31.18 1gwp s ARG 97 CO 0.35 -0.61 1.77 -2.00 -1.08 0.00 0.00 175.30 173.73 1gwp s GLU 98 N -4.69 4.01 -1.22 3.89 2.56 -1.26 -4.86 118.70 117.14 1gwp s GLU 98 Ca 0.56 2.17 -0.08 0.00 0.00 0.00 0.00 54.97 57.62 1gwp s GLU 98 Cb -0.10 -4.07 -0.07 0.00 2.00 0.00 0.00 34.13 31.89 1gwp s GLU 98 CO 0.38 -1.07 2.46 -0.35 -0.56 0.00 0.00 175.26 176.12 1gwp n PRO 99 N 7.47 2.75 -2.17 4.30 -0.04 -1.26 -4.83 135.00 141.22 1gwp n PRO 99 Ca 0.19 -1.79 -0.31 0.00 -0.04 0.00 0.00 63.50 61.56 1gwp n PRO 99 Cb 0.43 -2.62 -0.05 0.00 -0.04 0.00 0.00 33.50 31.23 1gwp n PRO 99 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1gwp s ARG 100 N 2.93 2.79 -0.07 0.54 3.03 -1.26 -4.49 118.95 122.42 1gwp s ARG 100 Ca 0.52 -1.25 -0.05 0.00 2.03 0.00 0.00 55.73 56.99 1gwp s ARG 100 Cb 0.13 -5.29 0.02 0.00 -1.03 0.00 0.00 34.95 28.79 1gwp s ARG 100 CO -0.04 -3.60 0.09 0.41 -1.13 0.00 0.00 175.30 171.03 1gwp n GLY 101 N 5.83 -2.22 0.00 3.88 0.00 -1.26 -3.91 105.19 107.52 1gwp n GLY 101 Ca 0.45 0.68 0.00 0.00 0.00 0.00 0.00 46.02 47.14 1gwp n GLY 101 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1gwp n SER 102 N 2.18 0.00 0.09 1.61 7.64 -1.26 -4.62 113.62 119.26 1gwp n SER 102 Ca -0.16 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.65 1gwp n SER 102 Cb 0.24 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.47 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 0.20 0.00 6.43 3.32 -1.87 -2.88 116.42 121.63 1gwp h ASP 103 Ca 0.00 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.89 1gwp h ASP 103 Cb 0.00 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.49 1gwp h ASP 103 CO 0.00 0.93 0.24 0.40 -1.72 0.00 0.00 179.24 179.09 1gwp h ILE 104 N 0.10 0.00 0.00 0.35 2.04 -1.92 1.41 117.51 119.49 1gwp h ILE 104 Ca -0.03 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.75 1gwp h ILE 104 Cb 1.42 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 38.21 1gwp h ILE 104 CO 0.12 0.00 -0.57 0.00 0.00 0.00 0.00 178.15 177.70 1gwp h ALA 105 N 1.51 0.73 0.00 1.87 0.00 -1.88 -3.44 119.26 118.04 1gwp h ALA 105 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1gwp h ALA 105 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1gwp h ALA 105 CO 0.00 0.44 0.00 0.41 0.00 0.00 0.00 179.25 180.10 1gwp n GLY 106 N 1.21 0.50 0.25 0.00 0.00 0.48 -4.93 105.19 102.71 1gwp n GLY 106 Ca 0.01 -0.40 -0.12 0.00 0.00 0.00 0.00 46.02 45.51 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 1.28 0.00 2.61 2.02 -1.75 -3.29 112.91 113.79 1gwp h THR 107 Ca 0.00 -1.62 0.00 0.00 0.77 0.00 0.00 66.41 65.56 1gwp h THR 107 Cb 0.00 1.51 0.00 0.00 -1.74 0.00 0.00 68.15 67.92 1gwp h THR 107 CO 0.00 0.53 -1.48 0.41 0.37 0.00 0.00 175.52 175.35 1gwp n THR 108 N -4.03 0.00 -4.25 3.16 -1.04 -1.26 -5.00 114.28 101.86 1gwp n THR 108 Ca -0.03 -0.29 -0.23 0.00 -2.04 0.00 0.00 64.05 61.46 1gwp n THR 108 Cb 0.56 0.30 -0.07 0.00 -1.82 0.00 0.00 70.33 69.30 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 -3.37 4.54 0.54 8.00 1.04 -1.24 -5.10 113.70 118.11 1gwp s SER 109 Ca -0.04 -0.71 0.08 0.00 0.48 0.00 0.00 55.95 55.76 1gwp s SER 109 Cb 0.09 -0.78 0.05 0.00 0.10 0.00 0.00 66.02 65.48 1gwp s SER 109 CO 0.55 -0.10 0.59 0.42 0.98 0.00 0.00 173.24 175.68 1gwp s THR 110 N -2.37 2.03 0.32 2.02 -4.23 -1.26 -4.37 115.64 107.78 1gwp s THR 110 Ca 0.33 -1.23 0.02 0.00 -1.18 0.00 0.00 61.69 59.64 1gwp s THR 110 Cb -0.05 -2.26 0.28 0.00 1.34 0.00 0.00 72.50 71.81 1gwp s THR 110 CO 0.21 0.00 1.94 0.25 -0.54 0.00 0.00 174.62 176.47 1gwp h LEU 111 N 0.51 0.83 -0.30 4.79 5.85 -1.99 -0.81 115.31 124.18 1gwp h LEU 111 Ca -0.34 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.38 1gwp h LEU 111 Cb 1.29 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.13 1gwp h LEU 111 CO 0.49 0.54 0.17 1.56 -0.34 0.00 0.00 178.44 180.87 1gwp h GLN 112 N 0.95 0.41 -0.84 1.25 4.20 -1.99 0.38 115.11 119.46 1gwp h GLN 112 Ca 0.35 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 59.01 1gwp h GLN 112 Cb 0.16 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 27.82 1gwp h GLN 112 CO -0.12 0.33 0.50 0.93 -0.67 0.00 0.00 178.83 179.80 1gwp h GLU 113 N 0.38 1.14 -0.53 1.46 5.08 -1.67 -1.31 114.58 119.12 1gwp h GLU 113 Ca 0.11 -0.10 -0.07 0.00 -1.00 0.00 0.00 59.36 58.30 1gwp h GLU 113 Cb 0.03 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.02 1gwp h GLU 113 CO -0.02 0.80 0.08 1.96 -1.00 0.00 0.00 179.01 180.83 1gwp h GLN 114 N 1.16 0.89 -0.53 2.33 1.08 -0.66 -0.72 115.11 118.66 1gwp h GLN 114 Ca 0.30 -0.24 0.01 0.00 -1.45 0.00 0.00 58.65 57.27 1gwp h GLN 114 Cb -0.04 -0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 27.26 1gwp h GLN 114 CO -0.06 0.87 0.33 0.82 -0.95 0.00 0.00 178.83 179.85 1gwp h ILE 115 N 0.77 1.10 -0.20 2.54 5.03 -0.31 -0.28 117.51 126.17 1gwp h ILE 115 Ca 0.16 -0.23 -0.01 0.00 -0.12 0.00 0.00 64.86 64.66 1gwp h ILE 115 Cb 0.42 0.36 -0.01 0.00 -3.03 0.00 0.00 36.82 34.57 1gwp h ILE 115 CO 0.01 0.12 0.10 1.23 -0.68 0.00 0.00 178.15 178.94 1gwp h GLY 116 N 0.68 0.30 0.82 5.37 0.00 -1.00 -1.15 103.07 108.09 1gwp h GLY 116 Ca 0.20 -0.14 0.10 0.00 0.00 0.00 0.00 47.33 47.49 1gwp h GLY 116 CO -0.07 0.14 0.52 1.49 0.00 0.00 0.00 176.54 178.62 1gwp h TRP 117 N 0.20 0.76 -0.62 5.60 6.55 -0.75 0.74 115.95 128.44 1gwp h TRP 117 Ca 0.07 0.02 -0.08 0.00 0.95 0.00 0.00 58.89 59.85 1gwp h TRP 117 Cb 0.10 -0.25 -0.02 0.00 -0.86 0.00 0.00 29.16 28.13 1gwp h TRP 117 CO -0.03 0.35 0.07 0.52 -1.05 0.00 0.00 178.44 178.30 1gwp h MET 118 N 0.71 1.05 -0.68 0.49 2.86 -0.29 1.72 114.93 120.78 1gwp h MET 118 Ca 0.37 -0.30 -0.13 0.00 -2.06 0.00 0.00 59.70 57.58 1gwp h MET 118 Cb 0.47 -0.11 -0.08 0.00 0.06 0.00 0.00 31.60 31.94 1gwp h MET 118 CO -0.14 1.00 0.16 2.41 1.06 0.00 0.00 176.91 181.40 1gwp n THR 119 N -4.24 2.89 -2.14 2.22 -1.04 0.12 -4.07 114.28 108.02 1gwp n THR 119 Ca 0.03 -1.54 -0.27 0.00 -2.04 0.00 0.00 64.05 60.24 1gwp n THR 119 Cb 0.31 -0.33 0.09 0.00 -1.82 0.00 0.00 70.33 68.58 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 -2.91 2.72 -0.28 -1.42 5.04 0.24 -4.86 115.29 113.81 1gwp s HIS 120 Ca 0.55 0.45 0.02 0.00 -1.54 0.00 0.00 55.06 54.54 1gwp s HIS 120 Cb 0.43 -3.33 0.08 0.00 0.04 0.00 0.00 32.58 29.80 1gwp s HIS 120 CO 0.15 -1.62 -0.00 -0.80 -2.34 0.00 0.00 174.74 170.13 1gwp s ASN 121 N -4.58 4.23 0.77 9.88 0.01 -1.26 0.19 114.94 124.19 1gwp s ASN 121 Ca 0.62 -1.58 -0.11 0.00 -0.71 0.00 0.00 52.86 51.08 1gwp s ASN 121 Cb -0.10 -1.30 0.06 0.00 0.41 0.00 0.00 41.25 40.32 1gwp s ASN 121 CO 0.46 -0.31 1.09 -2.16 -1.51 0.00 0.00 177.10 174.67 1gwp s PRO 122 N 1.25 2.28 -0.23 -0.60 0.04 -1.26 -5.08 135.00 131.40 1gwp s PRO 122 Ca 0.02 0.71 -0.29 0.00 0.04 0.00 0.00 61.00 61.48 1gwp s PRO 122 Cb -0.19 -1.93 -0.01 0.00 0.04 0.00 0.00 34.50 32.41 1gwp s PRO 122 CO -0.10 -1.50 1.31 -1.25 0.04 0.00 0.00 177.00 175.50 1gwp s PRO 123 N -5.13 4.06 -0.11 0.56 0.04 0.51 -4.96 135.00 129.97 1gwp s PRO 123 Ca 0.60 1.48 -0.30 0.00 0.04 0.00 0.00 61.00 62.82 1gwp s PRO 123 Cb -0.14 -3.84 -0.02 0.00 0.04 0.00 0.00 34.50 30.54 1gwp s PRO 123 CO 0.54 -0.94 1.13 0.42 0.04 0.00 0.00 177.00 178.20 1gwp s ILE 124 N 4.02 4.48 0.00 0.56 1.09 0.58 -4.90 121.20 127.03 1gwp s ILE 124 Ca 0.57 1.78 -0.04 0.00 -1.10 0.00 0.00 60.65 61.85 1gwp s ILE 124 Cb -0.20 -4.15 -0.19 0.00 -1.06 0.00 0.00 42.46 36.86 1gwp s ILE 124 CO 0.20 -0.05 2.79 -0.81 -0.10 0.00 0.00 174.94 176.97 1gwp n PRO 125 N 5.53 1.47 -0.29 2.79 -0.04 -1.26 -3.31 135.00 139.89 1gwp n PRO 125 Ca 0.11 -0.72 0.24 0.00 -0.04 0.00 0.00 63.50 63.09 1gwp n PRO 125 Cb 0.47 -1.84 0.56 0.00 -0.04 0.00 0.00 33.50 32.64 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 2.21 0.55 0.00 0.52 3.04 -1.89 0.49 116.25 121.17 1gwp h VAL 126 Ca 0.14 -0.11 0.00 0.00 -1.01 0.00 0.00 66.70 65.72 1gwp h VAL 126 Cb 1.12 0.21 0.00 0.00 -2.01 0.00 0.00 31.29 30.61 1gwp h VAL 126 CO 0.28 0.06 0.00 0.61 -1.01 0.00 0.00 177.57 177.51 1gwp n GLY 127 N -1.54 -0.98 0.48 3.17 0.00 -1.26 -1.54 105.19 103.51 1gwp n GLY 127 Ca 0.23 0.00 0.35 0.00 0.00 0.00 0.00 46.02 46.60 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 0.13 0.35 1.61 5.08 -1.77 0.26 114.58 120.24 1gwp h GLU 128 Ca 0.00 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1gwp h GLU 128 Cb 0.00 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1gwp h GLU 128 CO 0.00 0.09 -0.17 0.82 -1.00 0.00 0.00 179.01 178.75 1gwp h ILE 129 N 0.13 0.00 -0.92 3.13 2.04 -0.08 -0.90 117.51 120.91 1gwp h ILE 129 Ca 0.76 -0.09 0.21 0.00 1.00 0.00 0.00 64.86 66.74 1gwp h ILE 129 Cb 2.43 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 38.39 1gwp h ILE 129 CO -0.32 0.00 0.46 0.22 0.00 0.00 0.00 178.15 178.51 1gwp h TYR 130 N -0.57 0.77 -0.53 1.37 3.20 0.11 0.42 116.97 121.75 1gwp h TYR 130 Ca -0.05 0.04 0.03 0.00 3.14 0.00 0.00 58.73 61.89 1gwp h TYR 130 Cb 0.37 -0.20 -0.04 0.00 1.54 0.00 0.00 36.73 38.40 1gwp h TYR 130 CO 0.10 0.03 0.30 -0.22 -1.64 0.00 0.00 178.16 176.73 1gwp h LYS 131 N 0.49 0.57 -0.25 1.82 3.64 -0.54 0.21 116.57 122.52 1gwp h LYS 131 Ca 0.57 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.80 1gwp h LYS 131 Cb 1.03 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.71 1gwp h LYS 131 CO -0.48 0.38 -0.30 -0.09 -2.27 0.00 0.00 179.45 176.68 1gwp h ARG 132 N 0.59 0.51 0.31 1.90 2.43 0.10 -1.18 114.38 119.03 1gwp h ARG 132 Ca 0.22 -0.21 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1gwp h ARG 132 Cb 0.07 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 1gwp h ARG 132 CO -0.12 0.76 -0.15 -1.49 -1.51 0.00 0.00 179.97 177.46 1gwp h TRP 133 N 0.44 -0.38 -0.79 2.20 4.06 0.73 0.57 115.95 122.77 1gwp h TRP 133 Ca 0.06 -0.01 0.18 0.00 2.06 0.00 0.00 58.89 61.18 1gwp h TRP 133 Cb 0.75 0.13 -0.14 0.00 -1.00 0.00 0.00 29.16 28.89 1gwp h TRP 133 CO 0.03 -0.24 -0.05 0.82 -3.56 0.00 0.00 178.44 175.44 1gwp h ILE 134 N -0.46 0.27 -0.46 1.49 2.04 -0.65 1.63 117.51 121.37 1gwp h ILE 134 Ca -0.04 -0.02 -0.00 0.00 1.00 0.00 0.00 64.86 65.79 1gwp h ILE 134 Cb 0.31 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.57 1gwp h ILE 134 CO 0.07 0.01 0.27 0.40 0.00 0.00 0.00 178.15 178.90 1gwp h ILE 135 N 0.06 1.14 -0.31 -0.67 5.03 -1.11 -0.43 117.51 121.21 1gwp h ILE 135 Ca 0.42 -0.32 0.01 0.00 -0.12 0.00 0.00 64.86 64.86 1gwp h ILE 135 Cb 0.74 0.50 -0.02 0.00 -3.03 0.00 0.00 36.82 35.00 1gwp h ILE 135 CO -0.74 0.15 0.18 0.25 -0.68 0.00 0.00 178.15 177.31 1gwp h LEU 136 N 0.63 0.29 -0.04 1.44 6.46 0.79 0.10 115.31 125.00 1gwp h LEU 136 Ca 0.17 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.93 1gwp h LEU 136 Cb -0.01 -0.06 -0.00 0.00 -0.73 0.00 0.00 40.66 39.86 1gwp h LEU 136 CO -0.03 0.22 0.01 1.23 -0.62 0.00 0.00 178.44 179.24 1gwp h GLY 137 N 0.37 0.06 0.24 3.75 0.00 -0.24 0.11 103.07 107.37 1gwp h GLY 137 Ca 0.12 -0.04 0.08 0.00 0.00 0.00 0.00 47.33 47.50 1gwp h GLY 137 CO -0.06 0.04 -0.04 1.41 0.00 0.00 0.00 176.54 177.88 1gwp h LEU 138 N -0.17 -0.27 -0.34 3.11 3.38 -0.87 0.54 115.31 120.70 1gwp h LEU 138 Ca 0.01 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1gwp h LEU 138 Cb 0.24 0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1gwp h LEU 138 CO 0.00 -0.09 0.19 -1.13 0.09 0.00 0.00 178.44 177.50 1gwp h ASN 139 N 0.06 0.42 -0.75 -0.43 -0.73 -0.67 0.33 115.58 113.80 1gwp h ASN 139 Ca 0.21 -0.08 0.09 0.00 1.87 0.00 0.00 56.30 58.39 1gwp h ASN 139 Cb 0.31 -0.11 -0.05 0.00 0.27 0.00 0.00 38.32 38.75 1gwp h ASN 139 CO -0.39 0.37 0.49 0.11 -0.37 0.00 0.00 177.43 177.64 1gwp h LYS 140 N 0.42 0.67 -0.04 6.67 1.79 0.72 0.44 116.57 127.24 1gwp h LYS 140 Ca 0.12 -0.04 -0.04 0.00 -2.18 0.00 0.00 60.65 58.51 1gwp h LYS 140 Cb 0.04 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 30.55 1gwp h LYS 140 CO -0.02 0.44 -0.12 0.82 -1.08 0.00 0.00 179.45 179.49 1gwp h ILE 141 N 0.69 1.45 -0.61 1.86 2.04 0.98 -1.35 117.51 122.56 1gwp h ILE 141 Ca 0.34 -1.50 0.07 0.00 1.00 0.00 0.00 64.86 64.76 1gwp h ILE 141 Cb 0.42 2.34 -0.04 0.00 -0.74 0.00 0.00 36.82 38.80 1gwp h ILE 141 CO -0.12 0.41 0.41 0.58 0.00 0.00 0.00 178.15 179.43 1gwp h VAL 142 N -0.39 0.99 -0.04 1.67 2.07 0.66 0.19 116.25 121.40 1gwp h VAL 142 Ca -0.00 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 1gwp h VAL 142 Cb 0.73 0.36 -0.00 0.00 -1.52 0.00 0.00 31.29 30.86 1gwp h VAL 142 CO 0.03 0.11 -0.03 0.03 0.02 0.00 0.00 177.57 177.72 1gwp h ARG 143 N 0.58 0.09 -0.42 1.57 3.08 -0.07 -2.76 114.38 116.45 1gwp h ARG 143 Ca 0.27 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.28 1gwp h ARG 143 Cb 0.31 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 1gwp h ARG 143 CO -0.08 0.52 0.27 1.98 -1.07 0.00 0.00 179.97 181.58 1gwp h MET 144 N -0.33 0.52 -0.53 0.04 4.05 -0.37 -2.42 114.93 115.90 1gwp h MET 144 Ca 0.01 -0.03 0.10 0.00 -0.28 0.00 0.00 59.70 59.50 1gwp h MET 144 Cb 0.49 -0.12 -0.08 0.00 -0.80 0.00 0.00 31.60 31.09 1gwp h MET 144 CO 0.01 0.35 0.03 1.88 0.23 0.00 0.00 176.91 179.41 1gwp h TYR 145 N 0.54 0.03 -3.06 1.39 -1.99 -0.67 -3.33 116.97 109.89 1gwp h TYR 145 Ca 0.16 0.04 -0.60 0.00 2.00 0.00 0.00 58.73 60.32 1gwp h TYR 145 Cb -0.04 0.07 -0.40 0.00 2.00 0.00 0.00 36.73 38.36 1gwp h TYR 145 CO -0.06 -0.09 -0.75 -1.12 -0.00 0.00 0.00 178.16 176.14 1gwp s SER 146 N -5.26 3.80 -1.20 3.88 0.01 -1.00 -5.05 113.70 108.87 1gwp s SER 146 Ca -0.13 -2.23 -0.21 0.00 1.31 0.00 0.00 55.95 54.69 1gwp s SER 146 Cb 0.17 -0.97 -0.01 0.00 0.21 0.00 0.00 66.02 65.42 1gwp s SER 146 CO 0.73 -0.33 1.81 -2.16 0.41 0.00 0.00 173.24 173.70 1gwp s PRO 147 N 0.87 3.23 0.51 12.44 0.04 -0.94 -4.65 135.00 146.49 1gwp s PRO 147 Ca 0.15 -1.46 0.00 0.00 0.04 0.00 0.00 61.00 59.73 1gwp s PRO 147 Cb -0.22 -5.37 0.00 0.00 0.04 0.00 0.00 34.50 28.96 1gwp s PRO 147 CO -0.09 -3.06 0.00 2.41 0.04 0.00 0.00 177.00 176.30 1gwp n THR 148 N 7.13 -5.01 -0.83 1.26 -1.04 -1.26 -5.00 114.28 109.53 1gwp n THR 148 Ca 0.45 2.25 0.09 0.00 -2.04 0.00 0.00 64.05 64.80 1gwp n THR 148 Cb 0.47 -3.12 -0.05 0.00 -1.82 0.00 0.00 70.33 65.81 1gwp n THR 148 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1gwp n SER 149 N -0.99 -4.50 -1.94 8.00 2.88 -1.26 -5.04 113.62 110.77 1gwp n SER 149 Ca 0.00 0.87 0.00 0.00 -1.33 0.00 0.00 58.87 58.41 1gwp n SER 149 Cb 0.03 -2.78 0.00 0.00 -0.75 0.00 0.00 64.21 60.71 1gwp n SER 149 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1gwp n ILE 150 N -3.17-11.12 0.51 2.46 2.08 -1.26 -4.93 119.36 103.94 1gwp n ILE 150 Ca -0.05 2.59 0.06 0.00 0.56 0.00 0.00 62.75 65.91 1gwp n ILE 150 Cb 0.37 -5.22 0.05 0.00 -0.75 0.00 0.00 39.64 34.09 1gwp n ILE 150 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11