#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gwp s LEU 2 N 0.00 2.44 0.34 0.99 1.43 -1.26 -5.17 118.68 117.45 3gwp s LEU 2 Ca 0.00 -0.86 0.01 0.00 -1.03 0.00 0.00 54.13 52.25 3gwp s LEU 2 Cb 0.00 -0.50 0.59 0.00 0.03 0.00 0.00 46.19 46.31 3gwp s LEU 2 CO 0.00 -0.19 2.00 -0.33 0.23 0.00 0.00 176.35 178.06 3gwp h GLU 3 N 3.32 0.90 -0.21 1.70 3.07 -2.05 -2.15 114.58 119.16 3gwp h GLU 3 Ca -0.39 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 58.41 3gwp h GLU 3 Cb 1.20 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 28.89 3gwp h GLU 3 CO 0.54 0.60 0.09 0.77 -1.40 0.00 0.00 179.01 179.60 3gwp h SER 4 N 0.93 0.29 -0.07 1.42 0.02 -2.03 0.93 113.55 115.03 3gwp h SER 4 Ca 0.26 -0.16 0.03 0.00 -0.84 0.00 0.00 61.79 61.08 3gwp h SER 4 Cb -0.09 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 62.34 3gwp h SER 4 CO -0.06 0.37 -0.14 0.74 -1.14 0.00 0.00 176.83 176.60 3gwp h THR 5 N 0.19 0.63 0.00 -2.27 2.02 -1.88 0.30 112.91 111.90 3gwp h THR 5 Ca 0.07 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.15 3gwp h THR 5 Cb 0.17 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 3gwp h THR 5 CO -0.01 0.00 -0.49 0.07 0.37 0.00 0.00 175.52 175.47 3gwp h LYS 6 N -0.20 0.00 -0.03 6.66 2.10 -1.37 -0.52 116.57 123.21 3gwp h LYS 6 Ca 0.07 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.61 3gwp h LYS 6 Cb 0.30 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.62 3gwp h LYS 6 CO -0.19 0.49 -0.51 0.37 -2.00 0.00 0.00 179.45 177.60 3gwp h GLN 7 N 0.00 0.07 -0.10 0.07 5.75 -0.19 -2.31 115.11 118.40 3gwp h GLN 7 Ca -0.00 -0.04 -0.09 0.00 -0.15 0.00 0.00 58.65 58.37 3gwp h GLN 7 Cb 0.92 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.48 3gwp h GLN 7 CO 0.06 0.57 -0.28 0.35 -2.65 0.00 0.00 178.83 176.89 3gwp h PHE 8 N 0.06 0.48 -0.15 3.99 3.04 0.09 -3.17 116.94 121.28 3gwp h PHE 8 Ca -0.00 -0.19 0.04 0.00 3.98 0.00 0.00 57.97 61.81 3gwp h PHE 8 Cb 0.93 -0.08 -0.01 0.00 2.56 0.00 0.00 35.95 39.35 3gwp h PHE 8 CO 0.01 0.89 0.12 -0.07 -2.02 0.00 0.00 178.31 177.24 3gwp h LEU 9 N -0.07 0.00 -1.95 0.59 3.38 -0.96 -0.96 115.31 115.33 3gwp h LEU 9 Ca -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3gwp h LEU 9 Cb 0.89 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.64 3gwp h LEU 9 CO 0.06 0.00 -0.08 0.11 0.09 0.00 0.00 178.44 178.62 3gwp h LYS 10 N 0.00 0.00 0.00 1.13 1.57 -1.38 -1.32 116.57 116.56 3gwp h LYS 10 Ca 0.07 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 3gwp h LYS 10 Cb 0.31 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 3gwp h LYS 10 CO -0.00 0.08 -0.20 0.87 -0.57 0.00 0.00 179.45 179.63 3gwp h LYS 11 N 0.00 0.00 -0.66 3.15 1.79 -1.28 -2.49 116.57 117.09 3gwp h LYS 11 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3gwp h LYS 11 Cb 0.34 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.99 3gwp h LYS 11 CO 0.01 0.20 0.00 0.66 -1.08 0.00 0.00 179.45 179.24 3gwp n TYR 12 N -3.56 1.18 -2.60 -1.35 4.02 -0.51 -4.93 117.16 109.41 3gwp n TYR 12 Ca -0.01 -0.43 -0.17 0.00 -0.01 0.00 0.00 57.90 57.27 3gwp n TYR 12 Cb 0.34 -0.27 0.01 0.00 -0.02 0.00 0.00 39.34 39.40 3gwp n TYR 12 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 3gwp n ASN 13 N 0.56 -5.13 -4.56 7.72 5.15 -0.94 -4.90 115.26 113.15 3gwp n ASN 13 Ca 0.18 -0.13 -0.43 0.00 -0.60 0.00 0.00 54.58 53.61 3gwp n ASN 13 Cb 0.75 -4.10 -0.05 0.00 -0.53 0.00 0.00 39.78 35.85 3gwp n ASN 13 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3gwp s ILE 14 N -2.95 4.67 0.71 -1.44 1.01 -1.13 -4.85 121.20 117.22 3gwp s ILE 14 Ca 0.12 0.67 -0.11 0.00 0.00 0.00 0.00 60.65 61.33 3gwp s ILE 14 Cb -0.05 -4.28 0.02 0.00 0.01 0.00 0.00 42.46 38.16 3gwp s ILE 14 CO 0.15 -0.60 1.10 0.54 0.00 0.00 0.00 174.94 176.14 3gwp s ASN 15 N 2.01 5.36 0.37 3.58 2.20 -1.26 -4.46 114.94 122.74 3gwp s ASN 15 Ca 0.31 1.08 0.06 0.00 -0.94 0.00 0.00 52.86 53.37 3gwp s ASN 15 Cb -0.12 -1.86 0.70 0.00 -2.00 0.00 0.00 41.25 37.97 3gwp s ASN 15 CO 0.20 -1.38 1.94 0.44 -2.94 0.00 0.00 177.10 175.36 3gwp h ASP 16 N -0.67 0.46 0.12 3.54 3.32 -1.96 -1.46 116.42 119.76 3gwp h ASP 16 Ca -0.45 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 56.53 3gwp h ASP 16 Cb 1.26 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.69 3gwp h ASP 16 CO 0.64 0.47 -0.06 0.03 -1.72 0.00 0.00 179.24 178.60 3gwp h ARG 17 N 0.49 -0.16 -0.50 3.56 -0.00 -1.94 0.11 114.38 115.95 3gwp h ARG 17 Ca 0.12 0.01 -0.02 0.00 -0.50 0.00 0.00 59.98 59.59 3gwp h ARG 17 Cb 0.21 0.04 -0.02 0.00 0.00 0.00 0.00 29.97 30.19 3gwp h ARG 17 CO -0.00 -0.00 0.23 0.28 0.00 0.00 0.00 179.97 180.48 3gwp h VAL 18 N -0.28 1.19 -0.39 2.04 2.07 -1.82 0.66 116.25 119.73 3gwp h VAL 18 Ca -0.02 -0.56 -0.08 0.00 0.82 0.00 0.00 66.70 66.86 3gwp h VAL 18 Cb 0.22 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 3gwp h VAL 18 CO 0.03 0.22 -0.11 0.25 0.02 0.00 0.00 177.57 177.97 3gwp h LEU 19 N 0.66 0.67 -0.48 2.57 5.85 -1.22 0.65 115.31 124.01 3gwp h LEU 19 Ca 0.17 -0.19 -0.17 0.00 0.84 0.00 0.00 57.88 58.53 3gwp h LEU 19 Cb 0.13 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 3gwp h LEU 19 CO -0.02 0.81 -0.67 0.50 -0.34 0.00 0.00 178.44 178.72 3gwp h LYS 20 N 0.62 0.40 -0.27 1.25 1.63 -0.54 -2.53 116.57 117.13 3gwp h LYS 20 Ca 0.11 -0.30 -0.11 0.00 -0.85 0.00 0.00 60.65 59.50 3gwp h LYS 20 Cb 0.55 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.22 3gwp h LYS 20 CO 0.03 0.93 -0.28 1.25 -3.45 0.00 0.00 179.45 177.93 3gwp h LEU 21 N 0.29 0.56 -0.20 5.20 5.85 -0.45 -2.89 115.31 123.67 3gwp h LEU 21 Ca -0.02 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.48 3gwp h LEU 21 Cb 1.22 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 3gwp h LEU 21 CO 0.11 0.82 0.06 0.22 -0.34 0.00 0.00 178.44 179.31 3gwp h TYR 22 N 0.48 0.34 -0.84 1.25 3.20 -0.77 -2.35 116.97 118.27 3gwp h TYR 22 Ca 0.06 -0.04 0.11 0.00 3.14 0.00 0.00 58.73 62.00 3gwp h TYR 22 Cb 0.74 -0.10 -0.08 0.00 1.54 0.00 0.00 36.73 38.83 3gwp h TYR 22 CO 0.03 0.42 0.47 0.93 -1.64 0.00 0.00 178.16 178.37 3gwp h GLU 23 N 0.15 0.74 -0.07 1.82 4.39 -1.33 -2.53 114.58 117.76 3gwp h GLU 23 Ca 0.06 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.71 3gwp h GLU 23 Cb 0.25 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 28.73 3gwp h GLU 23 CO -0.00 0.49 -0.01 1.15 -1.16 0.00 0.00 179.01 179.48 3gwp h THR 24 N 0.77 1.27 0.00 1.13 2.02 -1.49 -2.36 112.91 114.26 3gwp h THR 24 Ca 0.41 -0.86 0.00 0.00 0.77 0.00 0.00 66.41 66.74 3gwp h THR 24 Cb 0.42 1.72 0.00 0.00 -1.74 0.00 0.00 68.15 68.55 3gwp h THR 24 CO -0.27 0.24 0.00 0.00 0.37 0.00 0.00 175.52 175.86 3gwp n ALA 25 N -2.30 1.13 0.00 6.16 0.00 -0.89 -1.79 120.51 122.83 3gwp n ALA 25 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3gwp n ALA 25 Cb 0.21 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.73 3gwp n ALA 25 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3gwp n ASN 27 N 0.69 0.00 -0.16 0.00 5.15 -0.89 -2.20 115.26 117.85 3gwp n ASN 27 Ca 0.00 0.00 -0.10 0.00 -0.60 0.00 0.00 54.58 53.88 3gwp n ASN 27 Cb 0.00 0.00 -0.00 0.00 -0.53 0.00 0.00 39.78 39.25 3gwp n ASN 27 CO 0.00 0.00 0.00 0.44 1.40 0.00 0.00 177.26 179.10 3gwp h ASP 28 N 0.00 0.85 -0.01 1.20 3.32 -1.64 -3.17 116.42 116.97 3gwp h ASP 28 Ca 0.00 -0.33 0.00 0.00 0.02 0.00 0.00 57.03 56.72 3gwp h ASP 28 Cb 0.00 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.32 3gwp h ASP 28 CO 0.00 0.97 0.00 2.30 -1.72 0.00 0.00 179.24 180.79 3gwp n ILE 29 N -4.32 0.01 0.10 0.35 -5.35 -0.93 -4.32 119.36 104.90 3gwp n ILE 29 Ca 0.00 -0.02 -0.12 0.00 -0.27 0.00 0.00 62.75 62.34 3gwp n ILE 29 Cb 0.34 -0.13 -0.05 0.00 -1.74 0.00 0.00 39.64 38.06 3gwp n ILE 29 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 3gwp h GLN 30 N 0.09 -0.46 -0.57 6.28 1.08 -1.84 -2.15 115.11 117.53 3gwp h GLN 30 Ca 0.00 0.03 0.01 0.00 -1.45 0.00 0.00 58.65 57.24 3gwp h GLN 30 Cb 0.02 0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 27.53 3gwp h GLN 30 CO 0.00 -0.31 0.38 -0.91 -0.95 0.00 0.00 178.83 177.04 3gwp h ASN 31 N -0.48 0.64 -0.59 1.46 2.35 -1.85 -2.16 115.58 114.95 3gwp h ASN 31 Ca 0.04 -0.02 -0.09 0.00 -0.55 0.00 0.00 56.30 55.68 3gwp h ASN 31 Cb 0.53 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.71 3gwp h ASN 31 CO -0.19 0.46 0.01 -0.61 -1.65 0.00 0.00 177.43 175.46 3gwp h GLN 32 N 0.76 1.04 -0.51 0.81 5.75 -1.77 -2.71 115.11 118.48 3gwp h GLN 32 Ca 0.21 -0.32 -0.02 0.00 -0.15 0.00 0.00 58.65 58.36 3gwp h GLN 32 Cb -0.07 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.36 3gwp h GLN 32 CO -0.05 1.02 0.21 0.74 -2.65 0.00 0.00 178.83 178.10 3gwp h PHE 33 N 0.93 0.72 -0.22 3.99 -1.00 -0.76 -2.15 116.94 118.46 3gwp h PHE 33 Ca 0.17 -0.03 -0.08 0.00 2.81 0.00 0.00 57.97 60.84 3gwp h PHE 33 Cb 0.54 -0.23 -0.01 0.00 3.61 0.00 0.00 35.95 39.86 3gwp h PHE 33 CO 0.04 0.55 -0.21 0.87 -1.61 0.00 0.00 178.31 177.95 3gwp h LYS 34 N 0.72 0.40 -0.16 1.51 1.57 -1.22 -1.33 116.57 118.06 3gwp h LYS 34 Ca 0.18 -0.13 -0.10 0.00 -1.87 0.00 0.00 60.65 58.72 3gwp h LYS 34 Cb 0.13 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 3gwp h LYS 34 CO -0.02 0.59 -0.34 0.82 -0.57 0.00 0.00 179.45 179.93 3gwp h ILE 35 N 0.36 1.29 -0.12 1.86 2.04 -1.10 -2.91 117.51 118.93 3gwp h ILE 35 Ca 0.06 -1.39 -0.21 0.00 1.00 0.00 0.00 64.86 64.32 3gwp h ILE 35 Cb 0.58 1.55 0.00 0.00 -0.74 0.00 0.00 36.82 38.21 3gwp h ILE 35 CO 0.04 0.42 -0.76 -0.07 0.00 0.00 0.00 178.15 177.78 3gwp h LEU 36 N 0.28 0.74 -0.99 1.44 4.07 -1.08 -3.22 115.31 116.56 3gwp h LEU 36 Ca 0.03 -0.49 -0.05 0.00 0.08 0.00 0.00 57.88 57.46 3gwp h LEU 36 Cb 0.74 -0.22 -0.03 0.00 1.08 0.00 0.00 40.66 42.24 3gwp h LEU 36 CO 0.06 1.26 0.20 0.44 -1.08 0.00 0.00 178.44 179.32 3gwp h ASP 37 N 0.42 0.86 1.10 -0.43 3.32 -1.14 -0.75 116.42 119.80 3gwp h ASP 37 Ca -0.04 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.87 3gwp h ASP 37 Cb 1.37 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.69 3gwp h ASP 37 CO 0.15 0.80 -0.11 -0.90 -1.72 0.00 0.00 179.24 177.46 3gwp n ASP 38 N -4.28 0.39 0.03 6.45 5.68 -1.11 -2.26 116.55 121.45 3gwp n ASP 38 Ca 0.05 0.42 -0.22 0.00 -0.50 0.00 0.00 54.79 54.53 3gwp n ASP 38 Cb 0.20 -0.47 -0.14 0.00 -1.14 0.00 0.00 41.12 39.58 3gwp n ASP 38 CO 0.00 0.00 0.00 0.40 -1.33 0.00 0.00 177.20 176.27 3gwp h ILE 39 N 0.00 0.95 -0.83 2.12 2.04 -1.49 -3.33 117.51 116.97 3gwp h ILE 39 Ca 0.00 -2.44 0.02 0.00 1.00 0.00 0.00 64.86 63.45 3gwp h ILE 39 Cb 0.60 2.71 -0.05 0.00 -0.74 0.00 0.00 36.82 39.35 3gwp h ILE 39 CO 0.00 0.78 0.54 -0.09 0.00 0.00 0.00 178.15 179.38 3gwp h ARG 40 N -0.11 1.04 -0.29 2.37 2.43 -1.17 -2.48 114.38 116.17 3gwp h ARG 40 Ca -0.33 -0.06 0.06 0.00 -0.81 0.00 0.00 59.98 58.84 3gwp h ARG 40 Cb 1.92 -0.23 -0.06 0.00 -0.42 0.00 0.00 29.97 31.18 3gwp h ARG 40 CO 0.11 0.69 -0.11 1.49 -1.51 0.00 0.00 179.97 180.63 3gwp h GLU 41 N 1.07 -0.06 -0.62 0.20 4.81 -1.60 0.67 114.58 119.05 3gwp h GLU 41 Ca 0.32 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.54 3gwp h GLU 41 Cb -0.04 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 3gwp h GLU 41 CO -0.10 -0.04 0.33 0.35 -0.73 0.00 0.00 179.01 178.82 3gwp h PHE 42 N -0.06 0.86 -0.43 0.92 3.57 -1.63 -2.45 116.94 117.72 3gwp h PHE 42 Ca 0.15 -0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.56 3gwp h PHE 42 Cb 0.29 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.74 3gwp h PHE 42 CO -0.32 0.62 -0.02 -0.91 -2.23 0.00 0.00 178.31 175.46 3gwp h ASN 43 N 0.84 0.67 -0.55 0.41 2.35 -0.94 0.95 115.58 119.32 3gwp h ASN 43 Ca 0.22 -0.16 -0.09 0.00 -0.55 0.00 0.00 56.30 55.72 3gwp h ASN 43 Cb 0.06 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.23 3gwp h ASN 43 CO -0.03 0.76 -0.01 -0.61 -1.65 0.00 0.00 177.43 175.89 3gwp h GLN 44 N 0.66 0.97 -0.47 0.81 5.75 -0.72 -1.60 115.11 120.51 3gwp h GLN 44 Ca 0.13 -0.31 -0.11 0.00 -0.15 0.00 0.00 58.65 58.21 3gwp h GLN 44 Cb 0.44 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.89 3gwp h GLN 44 CO 0.02 0.98 -0.15 1.25 -2.65 0.00 0.00 178.83 178.28 3gwp h LEU 45 N 0.85 0.90 -0.10 -2.39 5.85 -1.15 0.71 115.31 119.98 3gwp h LEU 45 Ca 0.15 -0.30 -0.00 0.00 0.84 0.00 0.00 57.88 58.57 3gwp h LEU 45 Cb 0.54 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.32 3gwp h LEU 45 CO 0.03 1.05 0.06 0.50 -0.34 0.00 0.00 178.44 179.73 3gwp h LYS 46 N 0.80 0.14 -0.05 1.25 3.64 -0.67 -1.23 116.57 120.45 3gwp h LYS 46 Ca 0.12 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 3gwp h LYS 46 Cb 0.68 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.47 3gwp h LYS 46 CO 0.05 0.18 -0.01 0.28 -2.27 0.00 0.00 179.45 177.68 3gwp h VAL 47 N 0.07 1.30 -0.78 2.00 2.07 -1.24 -2.46 116.25 117.20 3gwp h VAL 47 Ca 0.04 -0.92 0.14 0.00 0.82 0.00 0.00 66.70 66.78 3gwp h VAL 47 Cb 0.08 1.81 -0.10 0.00 -1.52 0.00 0.00 31.29 31.57 3gwp h VAL 47 CO -0.01 0.25 0.34 0.25 0.02 0.00 0.00 177.57 178.42 3gwp h LEU 48 N -0.25 0.34 -0.44 2.57 5.85 -0.84 -0.84 115.31 121.70 3gwp h LEU 48 Ca 0.01 0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 3gwp h LEU 48 Cb 0.41 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 3gwp h LEU 48 CO 0.01 0.13 0.22 -1.13 -0.34 0.00 0.00 178.44 177.32 3gwp h ASN 49 N 0.49 0.58 -0.53 1.25 -0.00 -1.17 -2.38 115.58 113.81 3gwp h ASN 49 Ca 0.43 -0.12 0.09 0.00 -0.00 0.00 0.00 56.30 56.70 3gwp h ASN 49 Cb 0.64 -0.15 -0.07 0.00 -0.00 0.00 0.00 38.32 38.74 3gwp h ASN 49 CO -0.40 0.54 0.12 0.00 -0.00 0.00 0.00 177.43 177.70 3gwp h ALA 50 N 1.06 0.62 -0.22 1.57 0.00 -0.68 0.71 119.26 122.32 3gwp h ALA 50 Ca 0.15 0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.18 3gwp h ALA 50 Cb 0.11 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3gwp h ALA 50 CO -0.02 -0.29 0.11 0.74 0.00 0.00 0.00 179.25 179.79 3gwp h PHE 51 N 0.27 0.21 -0.50 0.00 -1.00 -1.32 -1.57 116.94 113.02 3gwp h PHE 51 Ca 0.27 0.01 -0.07 0.00 2.81 0.00 0.00 57.97 60.99 3gwp h PHE 51 Cb 0.36 -0.06 -0.02 0.00 3.61 0.00 0.00 35.95 39.84 3gwp h PHE 51 CO -0.22 0.12 0.04 1.96 -1.61 0.00 0.00 178.31 178.60 3gwp h GLN 52 N 0.24 0.86 -0.68 1.51 4.20 -0.71 -1.11 115.11 119.42 3gwp h GLN 52 Ca 0.09 -0.25 -0.02 0.00 0.06 0.00 0.00 58.65 58.52 3gwp h GLN 52 Cb 0.02 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.68 3gwp h GLN 52 CO -0.06 0.87 0.33 0.93 -0.67 0.00 0.00 178.83 180.24 3gwp h GLU 53 N 0.73 0.97 0.00 1.46 4.39 0.45 -1.92 114.58 120.67 3gwp h GLU 53 Ca 0.15 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.71 3gwp h GLU 53 Cb 0.46 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 3gwp h GLU 53 CO 0.02 0.77 0.00 0.39 -1.16 0.00 0.00 179.01 179.02 3gwp n GLU 54 N -4.46 0.32 -3.34 2.33 -0.58 -0.60 -4.93 120.64 109.38 3gwp n GLU 54 Ca 0.05 0.05 -0.18 0.00 -0.42 0.00 0.00 57.16 56.67 3gwp n GLU 54 Cb 0.12 -1.50 0.07 0.00 -0.57 0.00 0.00 31.44 29.57 3gwp n GLU 54 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 3gwp n ARG 55 N -1.31 -6.32 -2.05 3.49 0.63 -0.47 -4.95 116.66 105.68 3gwp n ARG 55 Ca 0.11 0.71 -0.38 0.00 -0.92 0.00 0.00 57.85 57.38 3gwp n ARG 55 Cb 0.21 -5.38 0.01 0.00 0.45 0.00 0.00 32.46 27.75 3gwp n ARG 55 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 3gwp s ILE 56 N -3.29 2.66 0.35 5.15 -1.09 -0.90 -5.03 121.20 119.05 3gwp s ILE 56 Ca 0.29 0.50 -0.06 0.00 -2.23 0.00 0.00 60.65 59.15 3gwp s ILE 56 Cb -0.13 -3.26 0.01 0.00 -1.58 0.00 0.00 42.46 37.51 3gwp s ILE 56 CO 0.62 0.00 0.55 -0.94 -1.23 0.00 0.00 174.94 173.94 3gwp s SER 57 N -1.14 0.68 0.60 3.58 1.04 -1.26 -4.97 113.70 112.22 3gwp s SER 57 Ca 0.66 -1.39 0.30 0.00 0.48 0.00 0.00 55.95 56.00 3gwp s SER 57 Cb -0.34 0.71 1.79 0.00 0.10 0.00 0.00 66.02 68.27 3gwp s SER 57 CO 0.41 -1.39 2.18 1.05 0.98 0.00 0.00 173.24 176.48 3gwp h GLU 58 N 2.08 0.00 0.00 4.02 -0.00 -2.00 -1.98 114.58 116.71 3gwp h GLU 58 Ca -0.29 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.07 3gwp h GLU 58 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.99 3gwp h GLU 58 CO 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 179.01 179.40 3gwp h ALA 59 N 1.87 1.00 -0.00 1.06 0.00 -1.99 -3.11 119.26 118.10 3gwp h ALA 59 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3gwp h ALA 59 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3gwp h ALA 59 CO -0.00 0.00 -0.01 0.72 0.00 0.00 0.00 179.25 179.96 3gwp n HIS 60 N -3.00 0.00 -2.44 0.00 8.25 -0.74 -4.16 115.22 113.12 3gwp n HIS 60 Ca 0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.05 3gwp n HIS 60 Cb 0.34 -0.24 0.01 0.00 1.12 0.00 0.00 29.99 31.22 3gwp n HIS 60 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3gwp n PHE 61 N -1.22 2.67 -1.71 4.41 3.72 -1.18 -4.11 117.46 120.04 3gwp n PHE 61 Ca 0.16 -2.72 -0.31 0.00 -0.05 0.00 0.00 57.45 54.53 3gwp n PHE 61 Cb 0.23 -1.70 0.04 0.00 -0.94 0.00 0.00 39.48 37.10 3gwp n PHE 61 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 3gwp s THR 62 N -1.06 4.20 -0.52 4.37 -4.23 -1.26 -4.94 115.64 112.20 3gwp s THR 62 Ca 0.40 0.71 0.06 0.00 -1.18 0.00 0.00 61.69 61.69 3gwp s THR 62 Cb 0.11 -3.57 0.21 0.00 1.34 0.00 0.00 72.50 70.59 3gwp s THR 62 CO -0.00 -0.93 0.51 -3.20 -0.54 0.00 0.00 174.62 170.46 3gwp n ASN 63 N -2.99 1.33 -4.81 3.99 5.15 -1.26 -4.33 115.26 112.34 3gwp n ASN 63 Ca 0.07 -2.86 -0.29 0.00 -0.60 0.00 0.00 54.58 50.89 3gwp n ASN 63 Cb 0.54 -0.65 0.12 0.00 -0.53 0.00 0.00 39.78 39.26 3gwp n ASN 63 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 3gwp s SER 64 N -1.15 3.95 0.25 1.20 1.04 -1.26 -4.89 113.70 112.84 3gwp s SER 64 Ca 0.33 0.85 -0.15 0.00 0.48 0.00 0.00 55.95 57.46 3gwp s SER 64 Cb 0.08 -1.36 0.00 0.00 0.10 0.00 0.00 66.02 64.85 3gwp s SER 64 CO -0.13 -2.26 0.54 -0.94 0.98 0.00 0.00 173.24 171.42 3gwp s SER 65 N -4.32 -0.15 1.85 7.02 1.04 -1.26 -4.40 113.70 113.48 3gwp s SER 65 Ca 0.63 -0.80 0.00 0.00 0.48 0.00 0.00 55.95 56.26 3gwp s SER 65 Cb -0.13 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.61 3gwp s SER 65 CO 0.51 -1.18 0.00 0.61 0.98 0.00 0.00 173.24 174.17 3gwp n GLY 66 N -0.39 3.97 0.12 7.32 0.00 -1.26 -1.95 105.19 112.99 3gwp n GLY 66 Ca -0.03 0.07 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 3gwp n GLY 66 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3gwp h TYR 67 N 0.00 -0.19 -0.51 1.61 0.05 -1.99 -3.37 116.97 112.58 3gwp h TYR 67 Ca 0.00 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3gwp h TYR 67 Cb 0.00 0.06 0.00 0.00 1.01 0.00 0.00 36.73 37.80 3gwp h TYR 67 CO 0.00 0.21 0.00 0.41 -1.05 0.00 0.00 178.16 177.73 3gwp n GLY 68 N 0.02 0.98 3.77 3.88 0.00 -0.82 0.33 105.19 113.35 3gwp n GLY 68 Ca -0.09 -0.42 -0.38 0.00 0.00 0.00 0.00 46.02 45.14 3gwp n GLY 68 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gwp s TYR 69 N -2.51 2.78 -1.38 1.61 2.02 -1.26 -3.18 117.35 115.42 3gwp s TYR 69 Ca 0.00 1.47 0.00 0.00 -0.37 0.00 0.00 57.07 58.17 3gwp s TYR 69 Cb 0.00 -3.54 0.00 0.00 -0.40 0.00 0.00 41.96 38.02 3gwp s TYR 69 CO 0.00 -1.90 0.00 0.41 -1.57 0.00 0.00 175.55 172.49 3gwp n GLY 70 N 0.59 0.58 3.56 0.71 0.00 -1.26 -4.92 105.19 104.45 3gwp n GLY 70 Ca 0.06 -0.31 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 3gwp n GLY 70 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gwp s ASP 71 N -2.58 5.91 0.41 1.61 2.15 -1.19 -4.83 116.67 118.15 3gwp s ASP 71 Ca 0.00 -1.24 0.12 0.00 0.43 0.00 0.00 52.55 51.86 3gwp s ASP 71 Cb 0.00 -2.57 0.95 0.00 -0.30 0.00 0.00 42.92 41.01 3gwp s ASP 71 CO 0.00 -2.06 1.93 0.16 -0.17 0.00 0.00 175.17 175.04 3gwp h ILE 72 N 6.85 0.87 -0.71 4.11 3.07 -1.93 -2.22 117.51 127.56 3gwp h ILE 72 Ca 0.18 -0.18 -0.05 0.00 1.55 0.00 0.00 64.86 66.36 3gwp h ILE 72 Cb 0.99 0.31 -0.03 0.00 -0.27 0.00 0.00 36.82 37.82 3gwp h ILE 72 CO 1.33 0.09 0.25 1.23 -1.05 0.00 0.00 178.15 180.01 3gwp h GLY 73 N 0.52 1.16 1.27 0.16 0.00 -1.86 0.44 103.07 104.77 3gwp h GLY 73 Ca 0.35 -0.66 -0.16 0.00 0.00 0.00 0.00 47.33 46.86 3gwp h GLY 73 CO -0.12 0.62 -0.42 -0.09 0.00 0.00 0.00 176.54 176.53 3gwp h ARG 74 N 1.02 0.79 -0.04 4.80 2.43 -1.70 -2.15 114.38 119.53 3gwp h ARG 74 Ca 0.23 -0.43 -0.20 0.00 -0.81 0.00 0.00 59.98 58.77 3gwp h ARG 74 Cb 0.26 0.02 0.01 0.00 -0.42 0.00 0.00 29.97 29.85 3gwp h ARG 74 CO -0.01 1.06 -0.76 -0.44 -1.51 0.00 0.00 179.97 178.30 3gwp h ASP 75 N 0.64 0.74 0.69 -3.80 3.32 -1.30 -2.95 116.42 113.76 3gwp h ASP 75 Ca 0.05 -0.71 -0.08 0.00 0.02 0.00 0.00 57.03 56.31 3gwp h ASP 75 Cb 0.99 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.30 3gwp h ASP 75 CO 0.09 1.35 -0.37 0.28 -1.72 0.00 0.00 179.24 178.87 3gwp h SER 76 N 0.20 0.00 -0.37 6.45 0.02 -0.98 -2.02 113.55 116.85 3gwp h SER 76 Ca -0.08 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.81 3gwp h SER 76 Cb 1.43 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.96 3gwp h SER 76 CO 0.15 0.37 0.03 0.25 -1.14 0.00 0.00 176.83 176.49 3gwp h LEU 77 N 0.00 0.61 -0.26 5.07 5.85 -1.39 -0.14 115.31 125.05 3gwp h LEU 77 Ca -0.00 -0.29 -0.00 0.00 0.84 0.00 0.00 57.88 58.43 3gwp h LEU 77 Cb 0.81 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 3gwp h LEU 77 CO 0.05 0.75 0.15 0.44 -0.34 0.00 0.00 178.44 179.49 3gwp h ASP 78 N 0.46 0.32 -0.39 1.25 3.32 -1.33 -1.52 116.42 118.52 3gwp h ASP 78 Ca 0.11 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 3gwp h ASP 78 Cb 0.42 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 3gwp h ASP 78 CO 0.01 0.29 0.21 0.00 -1.72 0.00 0.00 179.24 178.04 3gwp h ALA 79 N 1.04 1.58 -0.13 3.45 0.00 -1.28 0.09 119.26 124.01 3gwp h ALA 79 Ca 0.09 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3gwp h ALA 79 Cb 0.04 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 3gwp h ALA 79 CO -0.02 0.34 -0.03 0.28 0.00 0.00 0.00 179.25 179.83 3gwp h VAL 80 N 0.59 1.29 -0.79 0.00 2.07 -0.58 -2.22 116.25 116.61 3gwp h VAL 80 Ca 0.15 -0.97 0.04 0.00 0.82 0.00 0.00 66.70 66.74 3gwp h VAL 80 Cb 0.05 1.66 -0.05 0.00 -1.52 0.00 0.00 31.29 31.42 3gwp h VAL 80 CO -0.02 0.28 0.50 1.88 0.02 0.00 0.00 177.57 180.23 3gwp h TYR 81 N -0.05 0.93 -0.71 1.57 -1.99 -0.87 -0.89 116.97 114.96 3gwp h TYR 81 Ca 0.03 0.03 0.05 0.00 2.00 0.00 0.00 58.73 60.84 3gwp h TYR 81 Cb 0.45 -0.30 -0.05 0.00 2.00 0.00 0.00 36.73 38.83 3gwp h TYR 81 CO 0.05 0.51 0.43 0.00 -0.00 0.00 0.00 178.16 179.15 3gwp h ALA 82 N 1.35 0.95 -0.19 3.88 0.00 -0.90 0.20 119.26 124.55 3gwp h ALA 82 Ca 0.33 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.12 3gwp h ALA 82 Cb 0.06 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3gwp h ALA 82 CO -0.13 0.15 -0.37 0.00 0.00 0.00 0.00 179.25 178.90 3gwp h ARG 83 N 0.80 0.40 0.12 0.00 3.08 -0.87 0.38 114.38 118.30 3gwp h ARG 83 Ca 0.31 -0.19 -0.01 0.00 0.07 0.00 0.00 59.98 60.16 3gwp h ARG 83 Cb 0.12 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.16 3gwp h ARG 83 CO -0.15 0.72 -0.06 0.28 -1.07 0.00 0.00 179.97 179.69 3gwp h VAL 84 N 0.34 1.02 -0.16 2.04 2.07 -0.43 -3.13 116.25 117.99 3gwp h VAL 84 Ca 0.04 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 67.00 3gwp h VAL 84 Cb 0.81 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.94 3gwp h VAL 84 CO 0.07 0.13 0.00 0.49 0.02 0.00 0.00 177.57 178.28 3gwp n PHE 85 N -5.04 0.21 -3.92 1.57 3.72 -0.01 -4.94 117.46 109.04 3gwp n PHE 85 Ca -0.09 -0.10 -0.26 0.00 -0.05 0.00 0.00 57.45 56.95 3gwp n PHE 85 Cb 0.19 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.72 3gwp n PHE 85 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3gwp n ASN 86 N 0.07 -1.31 -4.61 4.37 3.02 0.11 -4.47 115.26 112.45 3gwp n ASN 86 Ca 0.13 -0.94 -0.25 0.00 -0.03 0.00 0.00 54.58 53.50 3gwp n ASN 86 Cb 0.24 -3.34 -0.09 0.00 -0.61 0.00 0.00 39.78 35.98 3gwp n ASN 86 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3gwp s THR 87 N -3.75 2.61 0.02 3.41 -4.23 0.37 -4.89 115.64 109.19 3gwp s THR 87 Ca 0.16 -2.03 -0.26 0.00 -1.18 0.00 0.00 61.69 58.38 3gwp s THR 87 Cb -0.08 -2.75 -0.17 0.00 1.34 0.00 0.00 72.50 70.84 3gwp s THR 87 CO 0.87 -0.22 1.34 -0.33 -0.54 0.00 0.00 174.62 175.73 3gwp h GLU 88 N 1.87 -0.40 -5.16 3.99 5.08 -1.84 -3.42 114.58 114.70 3gwp h GLU 88 Ca -0.43 0.03 -0.53 0.00 -1.00 0.00 0.00 59.36 57.43 3gwp h GLU 88 Cb 1.25 0.09 -0.13 0.00 0.50 0.00 0.00 28.75 30.46 3gwp h GLU 88 CO 0.66 -0.11 -0.56 0.45 -1.00 0.00 0.00 179.01 178.45 3gwp s SER 89 N -5.03 2.77 0.14 1.42 0.15 -0.46 -4.87 113.70 107.81 3gwp s SER 89 Ca -0.15 -1.53 -0.20 0.00 0.70 0.00 0.00 55.95 54.78 3gwp s SER 89 Cb 0.03 0.21 0.05 0.00 -1.71 0.00 0.00 66.02 64.60 3gwp s SER 89 CO 0.57 -0.76 0.50 0.00 1.20 0.00 0.00 173.24 174.76 3gwp s ALA 90 N -3.20 -1.28 -0.37 5.45 0.00 -1.26 -2.45 121.76 118.65 3gwp s ALA 90 Ca 0.28 0.25 0.02 0.00 0.00 0.00 0.00 51.96 52.51 3gwp s ALA 90 Cb 0.06 0.77 0.15 0.00 0.00 0.00 0.00 23.12 24.10 3gwp s ALA 90 CO 0.14 -0.70 0.31 -1.17 0.00 0.00 0.00 175.76 174.34 3gwp s LEU 91 N -2.73 0.39 -0.37 0.00 2.96 0.80 -4.86 118.68 114.86 3gwp s LEU 91 Ca 0.02 -1.87 -0.08 0.00 -0.22 0.00 0.00 54.13 51.97 3gwp s LEU 91 Cb 0.00 0.16 0.05 0.00 0.50 0.00 0.00 46.19 46.90 3gwp s LEU 91 CO -0.12 -0.27 0.17 -0.69 -1.32 0.00 0.00 176.35 174.11 3gwp s VAL 92 N 1.24 4.10 0.04 1.68 1.01 -1.26 -1.77 120.40 125.43 3gwp s VAL 92 Ca 0.18 -1.12 0.05 0.00 0.00 0.00 0.00 61.98 61.09 3gwp s VAL 92 Cb -0.18 -3.36 -0.02 0.00 0.00 0.00 0.00 36.38 32.82 3gwp s VAL 92 CO -0.01 -0.27 -0.15 -0.13 0.00 0.00 0.00 175.10 174.54 3gwp s ARG 93 N 1.45 0.96 0.29 2.72 1.81 -0.85 -4.83 118.95 120.49 3gwp s ARG 93 Ca 0.00 -0.79 0.26 0.00 -1.72 0.00 0.00 55.73 53.48 3gwp s ARG 93 Cb -0.20 -0.98 0.80 0.00 -0.45 0.00 0.00 34.95 34.11 3gwp s ARG 93 CO 0.04 0.24 1.75 -1.00 -0.68 0.00 0.00 175.30 175.65 3gwp h PRO 94 N 4.86 0.00 0.00 3.54 0.13 -1.85 -1.52 132.00 137.17 3gwp h PRO 94 Ca -0.39 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.74 3gwp h PRO 94 Cb 1.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 3gwp h PRO 94 CO 0.43 0.00 -0.03 0.45 -0.23 0.00 0.00 178.00 178.63 3gwp h HIS 95 N 0.00 0.00 -2.67 1.56 3.86 -1.92 -3.26 115.15 112.72 3gwp h HIS 95 Ca 0.00 0.00 -0.55 0.00 -1.16 0.00 0.00 60.37 58.66 3gwp h HIS 95 Cb 0.70 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.15 3gwp h HIS 95 CO 0.00 0.03 1.06 -0.06 0.86 0.00 0.00 177.93 179.82 3gwp s PHE 96 N -4.41 2.12 0.31 2.45 0.08 -1.25 -4.90 117.98 112.39 3gwp s PHE 96 Ca -0.04 0.36 -0.01 0.00 0.12 0.00 0.00 56.93 57.36 3gwp s PHE 96 Cb 0.14 -3.86 0.49 0.00 -0.57 0.00 0.00 43.02 39.22 3gwp s PHE 96 CO 0.53 -3.42 1.95 -0.39 -0.10 0.00 0.00 175.22 173.79 3gwp h VAL 97 N 5.63 1.20 -2.57 -0.44 -1.51 -1.87 -3.07 116.25 113.61 3gwp h VAL 97 Ca -0.37 -0.46 0.04 0.00 -1.23 0.00 0.00 66.70 64.68 3gwp h VAL 97 Cb 1.16 0.22 -0.00 0.00 -2.13 0.00 0.00 31.29 30.54 3gwp h VAL 97 CO 0.96 0.21 0.31 -0.46 -1.23 0.00 0.00 177.57 177.36 3gwp n ASN 98 N -4.39 -1.57 -0.11 4.19 0.23 -1.26 -4.66 115.26 107.69 3gwp n ASN 98 Ca 0.07 -1.99 0.00 0.00 -0.53 0.00 0.00 54.58 52.13 3gwp n ASN 98 Cb 0.08 2.59 0.28 0.00 -2.08 0.00 0.00 39.78 40.64 3gwp n ASN 98 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 3gwp h GLY 99 N 1.49 0.83 1.01 4.83 0.00 -1.82 -2.72 103.07 106.69 3gwp h GLY 99 Ca -0.23 -0.38 -0.02 0.00 0.00 0.00 0.00 47.33 46.70 3gwp h GLY 99 CO 0.30 0.36 0.42 -0.84 0.00 0.00 0.00 176.54 176.78 3gwp h THR 100 N 0.77 1.23 -0.06 4.70 2.02 -1.97 -1.38 112.91 118.23 3gwp h THR 100 Ca 0.19 -0.58 -0.06 0.00 0.77 0.00 0.00 66.41 66.72 3gwp h THR 100 Cb 0.08 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 66.70 3gwp h THR 100 CO -0.03 0.26 -0.26 -0.74 0.37 0.00 0.00 175.52 175.12 3gwp h HIS 101 N 1.06 0.11 -0.16 3.16 6.17 -1.90 0.20 115.15 123.79 3gwp h HIS 101 Ca 0.27 -0.02 -0.05 0.00 0.71 0.00 0.00 60.37 61.28 3gwp h HIS 101 Cb 0.04 -0.03 -0.00 0.00 2.52 0.00 0.00 27.41 29.94 3gwp h HIS 101 CO 0.00 0.36 -0.11 0.00 0.71 0.00 0.00 177.93 178.89 3gwp h ALA 102 N 1.64 0.23 -0.28 5.26 0.00 -1.13 -1.80 119.26 123.18 3gwp h ALA 102 Ca 0.02 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 3gwp h ALA 102 Cb 0.52 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3gwp h ALA 102 CO 0.04 0.08 0.11 -0.07 0.00 0.00 0.00 179.25 179.40 3gwp h LEU 103 N 0.02 0.40 -0.84 0.00 3.38 -0.88 -2.64 115.31 114.74 3gwp h LEU 103 Ca 0.03 -0.18 0.03 0.00 0.09 0.00 0.00 57.88 57.85 3gwp h LEU 103 Cb 0.62 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.21 3gwp h LEU 103 CO 0.03 0.47 0.54 1.23 0.09 0.00 0.00 178.44 180.80 3gwp h GLY 104 N 0.31 1.21 1.14 0.83 0.00 -0.64 -2.25 103.07 103.66 3gwp h GLY 104 Ca 0.09 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 3gwp h GLY 104 CO -0.01 0.36 0.47 0.00 0.00 0.00 0.00 176.54 177.37 3gwp h ALA 105 N 1.34 1.27 -0.63 3.60 0.00 -1.18 -1.50 119.26 122.16 3gwp h ALA 105 Ca 0.33 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 3gwp h ALA 105 Cb -0.01 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 3gwp h ALA 105 CO -0.11 0.60 0.03 0.00 0.00 0.00 0.00 179.25 179.78 3gwp h ALA 106 N 1.37 0.85 0.19 0.00 0.00 -1.06 -1.04 119.26 119.56 3gwp h ALA 106 Ca 0.29 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3gwp h ALA 106 Cb -0.00 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.55 3gwp h ALA 106 CO -0.05 0.67 -0.09 -0.07 0.00 0.00 0.00 179.25 179.71 3gwp h LEU 107 N 1.00 -0.22 -1.58 0.00 3.38 -1.07 -2.38 115.31 114.45 3gwp h LEU 107 Ca 0.18 -0.31 0.01 0.00 0.09 0.00 0.00 57.88 57.85 3gwp h LEU 107 Cb 0.53 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 3gwp h LEU 107 CO 0.03 0.31 0.29 -0.26 0.09 0.00 0.00 178.44 178.90 3gwp h PHE 108 N -0.86 0.54 -0.48 1.13 0.04 -1.38 -1.45 116.94 114.48 3gwp h PHE 108 Ca -0.03 0.01 -0.12 0.00 2.80 0.00 0.00 57.97 60.64 3gwp h PHE 108 Cb 0.52 -0.18 -0.02 0.00 2.20 0.00 0.00 35.95 38.47 3gwp h PHE 108 CO 0.07 0.33 -0.17 0.78 -0.60 0.00 0.00 178.31 178.73 3gwp h GLY 109 N 0.58 1.00 0.00 -1.45 0.00 -1.21 -3.33 103.07 98.66 3gwp h GLY 109 Ca 0.16 -0.84 0.00 0.00 0.00 0.00 0.00 47.33 46.66 3gwp h GLY 109 CO -0.04 0.76 -1.00 0.70 0.00 0.00 0.00 176.54 176.97 3gwp n ASN 110 N -4.13 0.95 -4.66 0.19 5.03 -0.90 -4.53 115.26 107.21 3gwp n ASN 110 Ca 0.01 -0.96 -0.34 0.00 0.87 0.00 0.00 54.58 54.15 3gwp n ASN 110 Cb 0.42 1.03 -0.10 0.00 -1.02 0.00 0.00 39.78 40.11 3gwp n ASN 110 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3gwp s LEU 111 N -3.01 3.47 0.31 3.41 1.43 -0.56 -5.00 118.68 118.72 3gwp s LEU 111 Ca 0.07 0.08 0.08 0.00 -1.03 0.00 0.00 54.13 53.33 3gwp s LEU 111 Cb 0.16 -1.83 -0.06 0.00 0.03 0.00 0.00 46.19 44.49 3gwp s LEU 111 CO 0.85 0.36 -0.07 -0.13 0.23 0.00 0.00 176.35 177.59 3gwp s ARG 112 N -1.00 1.66 0.19 1.70 1.81 -1.26 -4.80 118.95 117.24 3gwp s ARG 112 Ca 0.14 -1.85 -0.33 0.00 -1.72 0.00 0.00 55.73 51.97 3gwp s ARG 112 Cb -0.11 -1.35 -0.14 0.00 -0.45 0.00 0.00 34.95 32.90 3gwp s ARG 112 CO 0.04 0.06 1.52 -2.30 -0.68 0.00 0.00 175.30 173.94 3gwp n PRO 113 N -0.67 2.11 0.00 3.54 -0.02 -1.25 -1.79 135.00 136.92 3gwp n PRO 113 Ca -0.05 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 3gwp n PRO 113 Cb 0.64 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 3gwp n PRO 113 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gwp n GLY 114 N 2.95 2.93 3.80 -1.23 0.00 0.10 -4.95 105.19 108.78 3gwp n GLY 114 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 3gwp n GLY 114 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3gwp s ASN 115 N -0.03 6.56 0.00 1.61 -0.87 -0.74 -4.82 114.94 116.65 3gwp s ASN 115 Ca 0.00 1.91 0.00 0.00 -1.57 0.00 0.00 52.86 53.20 3gwp s ASN 115 Cb 0.00 -2.56 0.00 0.00 -0.02 0.00 0.00 41.25 38.67 3gwp s ASN 115 CO 0.00 -0.63 0.00 0.41 -2.57 0.00 0.00 177.10 174.31 3gwp n THR 116 N -0.67 0.00 0.00 1.60 -1.04 -0.33 -0.63 114.28 113.21 3gwp n THR 116 Ca 0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 3gwp n THR 116 Cb 0.52 -0.47 0.00 0.00 -1.82 0.00 0.00 70.33 68.56 3gwp n THR 116 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 3gwp n LEU 118 N 0.00 0.00 -4.58 -4.42 7.94 -0.81 -2.41 117.00 112.72 3gwp n LEU 118 Ca 0.00 0.00 -0.39 0.00 -1.11 0.00 0.00 56.01 54.51 3gwp n LEU 118 Cb 0.00 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 43.85 3gwp n LEU 118 CO 0.00 0.00 -0.02 -0.44 -1.11 0.00 0.00 177.39 175.82 3gwp s SER 119 N 0.00 6.15 0.00 1.96 0.01 -1.07 0.35 113.70 121.10 3gwp s SER 119 Ca 0.00 0.03 0.25 0.00 1.31 0.00 0.00 55.95 57.54 3gwp s SER 119 Cb 0.00 -2.18 0.53 0.00 0.21 0.00 0.00 66.02 64.58 3gwp s SER 119 CO 0.00 -0.18 1.42 1.33 0.41 0.00 0.00 173.24 176.22 3gwp n VAL 120 N 5.13 0.00 -1.32 3.43 0.24 -0.95 -1.16 118.33 123.70 3gwp n VAL 120 Ca -0.10 -0.11 -0.18 0.00 -2.04 0.00 0.00 64.34 61.91 3gwp n VAL 120 Cb 0.51 0.52 0.18 0.00 -1.47 0.00 0.00 33.84 33.58 3gwp n VAL 120 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3gwp n GLY 122 N -1.13 -0.11 3.68 0.00 0.00 -0.90 -4.69 105.19 102.03 3gwp n GLY 122 Ca 0.51 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 3gwp n GLY 122 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3gwp s GLU 123 N 0.00 4.25 1.18 1.61 2.12 -1.26 -4.78 118.70 121.81 3gwp s GLU 123 Ca 0.00 2.03 -0.19 0.00 0.36 0.00 0.00 54.97 57.17 3gwp s GLU 123 Cb 0.00 -3.68 0.28 0.00 0.26 0.00 0.00 34.13 31.00 3gwp s GLU 123 CO 0.00 -0.66 1.16 -1.25 -0.54 0.00 0.00 175.26 173.97 3gwp s PRO 124 N 2.86 -1.03 -0.38 4.30 0.04 -1.26 -4.89 135.00 134.63 3gwp s PRO 124 Ca 0.66 -0.22 -0.33 0.00 0.04 0.00 0.00 61.00 61.15 3gwp s PRO 124 Cb -0.32 -1.63 -0.10 0.00 0.04 0.00 0.00 34.50 32.48 3gwp s PRO 124 CO 0.27 -3.55 2.25 0.98 0.04 0.00 0.00 177.00 176.99 3gwp n TYR 125 N -4.62 1.58 0.00 0.56 9.36 -1.26 -4.85 117.16 117.94 3gwp n TYR 125 Ca 0.15 0.19 0.00 0.00 3.32 0.00 0.00 57.90 61.56 3gwp n TYR 125 Cb 0.60 -2.57 0.00 0.00 -0.63 0.00 0.00 39.34 36.74 3gwp n TYR 125 CO 0.00 0.00 0.00 -0.40 0.22 0.00 0.00 176.86 176.68 3gwp n ASP 126 N 10.94 0.00 0.18 2.98 5.75 -1.26 0.12 116.55 135.26 3gwp n ASP 126 Ca 0.40 0.00 0.14 0.00 -0.01 0.00 0.00 54.79 55.32 3gwp n ASP 126 Cb 0.29 0.00 0.48 0.00 -1.03 0.00 0.00 41.12 40.86 3gwp n ASP 126 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 3gwp h THR 127 N 0.00 0.00 0.00 2.12 1.35 -2.04 -3.03 112.91 111.31 3gwp h THR 127 Ca 0.00 -0.49 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 3gwp h THR 127 Cb 0.00 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 67.82 3gwp h THR 127 CO 0.00 0.00 0.00 -0.11 -0.25 0.00 0.00 175.52 175.16 3gwp n LEU 128 N -2.64 0.13 -0.02 3.87 7.94 0.32 -3.85 117.00 122.75 3gwp n LEU 128 Ca 0.03 0.52 -0.12 0.00 -1.11 0.00 0.00 56.01 55.33 3gwp n LEU 128 Cb 0.34 -0.49 -0.07 0.00 0.53 0.00 0.00 43.42 43.74 3gwp n LEU 128 CO 0.26 -0.13 0.78 0.45 -1.11 0.00 0.00 177.39 177.65 3gwp h HIS 129 N 0.00 0.17 -0.15 1.96 3.86 -1.66 -2.46 115.15 116.86 3gwp h HIS 129 Ca 0.00 -0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.14 3gwp h HIS 129 Cb 0.44 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 28.85 3gwp h HIS 129 CO 0.00 0.34 -0.14 -0.44 0.86 0.00 0.00 177.93 178.55 3gwp h ASP 130 N -0.05 0.22 -0.04 2.45 3.32 -1.80 0.79 116.42 121.30 3gwp h ASP 130 Ca 0.03 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 3gwp h ASP 130 Cb 0.26 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.75 3gwp h ASP 130 CO 0.00 0.39 0.01 0.58 -1.72 0.00 0.00 179.24 178.50 3gwp h VAL 131 N 0.22 1.19 -0.12 -1.35 2.07 -1.71 -3.24 116.25 113.32 3gwp h VAL 131 Ca 0.04 -0.58 -0.18 0.00 0.82 0.00 0.00 66.70 66.80 3gwp h VAL 131 Cb 0.39 1.50 0.01 0.00 -1.52 0.00 0.00 31.29 31.68 3gwp h VAL 131 CO 0.02 0.16 -0.64 0.40 0.02 0.00 0.00 177.57 177.54 3gwp h ILE 132 N -0.15 1.33 -0.87 4.57 2.04 -1.16 -1.46 117.51 121.81 3gwp h ILE 132 Ca 0.01 -1.91 0.00 0.00 1.00 0.00 0.00 64.86 63.97 3gwp h ILE 132 Cb 0.25 2.13 0.00 0.00 -0.74 0.00 0.00 36.82 38.45 3gwp h ILE 132 CO 0.00 0.59 0.00 0.61 0.00 0.00 0.00 178.15 179.35 3gwp n GLY 133 N 0.73 0.65 0.22 5.37 0.00 0.27 -1.75 105.19 110.68 3gwp n GLY 133 Ca -0.08 -0.29 -0.08 0.00 0.00 0.00 0.00 46.02 45.57 3gwp n GLY 133 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3gwp h ILE 134 N 0.00 0.00 0.00 -0.61 2.04 -1.82 -3.44 117.51 113.67 3gwp h ILE 134 Ca 0.00 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.56 3gwp h ILE 134 Cb 0.53 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.61 3gwp h ILE 134 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 178.15 178.56 3gwp n THR 135 N -4.21 0.00 -2.83 -0.27 -1.04 -1.26 -4.98 114.28 99.69 3gwp n THR 135 Ca -0.06 0.22 -0.41 0.00 -2.04 0.00 0.00 64.05 61.75 3gwp n THR 135 Cb 0.20 -1.20 -0.04 0.00 -1.82 0.00 0.00 70.33 67.48 3gwp n THR 135 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3gwp s GLU 136 N -0.44 4.54 -0.57 -2.82 8.01 -1.26 -5.02 118.70 121.14 3gwp s GLU 136 Ca 0.00 1.25 0.06 0.00 0.01 0.00 0.00 54.97 56.29 3gwp s GLU 136 Cb 0.00 -3.44 0.21 0.00 -4.31 0.00 0.00 34.13 26.60 3gwp s GLU 136 CO 0.00 0.04 0.56 0.09 0.01 0.00 0.00 175.26 175.96 3gwp n ASN 137 N 3.63 2.08 -4.80 -0.19 5.03 -1.26 -4.75 115.26 115.00 3gwp n ASN 137 Ca 0.03 -3.04 -0.33 0.00 0.87 0.00 0.00 54.58 52.11 3gwp n ASN 137 Cb 0.51 -0.67 -0.01 0.00 -1.02 0.00 0.00 39.78 38.59 3gwp n ASN 137 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 3gwp s SER 138 N -1.49 6.06 -0.32 6.41 1.04 -1.26 -5.07 113.70 119.07 3gwp s SER 138 Ca 0.33 1.86 -0.28 0.00 0.48 0.00 0.00 55.95 58.35 3gwp s SER 138 Cb 0.08 -2.54 -0.03 0.00 0.10 0.00 0.00 66.02 63.63 3gwp s SER 138 CO -0.11 -0.98 1.90 0.21 0.98 0.00 0.00 173.24 175.24 3gwp s ASN 139 N -2.43 5.76 -0.39 7.02 2.47 -1.26 -4.77 114.94 121.34 3gwp s ASN 139 Ca 0.65 1.38 0.11 0.00 0.42 0.00 0.00 52.86 55.43 3gwp s ASN 139 Cb -0.16 -2.52 0.39 0.00 -1.45 0.00 0.00 41.25 37.51 3gwp s ASN 139 CO 0.29 -1.80 1.15 0.61 -3.72 0.00 0.00 177.10 173.63 3gwp n GLY 141 N 5.51 1.46 3.82 1.21 0.00 -1.26 -5.25 105.19 110.69 3gwp n GLY 141 Ca 0.24 -0.55 -0.29 0.00 0.00 0.00 0.00 46.02 45.43 3gwp n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gwp s SER 142 N -1.83 3.93 0.21 1.61 1.04 -1.26 -4.86 113.70 112.54 3gwp s SER 142 Ca 0.25 0.94 -0.09 0.00 0.48 0.00 0.00 55.95 57.53 3gwp s SER 142 Cb 0.39 -1.51 0.24 0.00 0.10 0.00 0.00 66.02 65.25 3gwp s SER 142 CO -0.05 -2.28 1.81 -0.07 0.98 0.00 0.00 173.24 173.62 3gwp h LEU 143 N -1.31 0.55 -1.11 2.42 3.38 -0.91 -0.53 115.31 117.79 3gwp h LEU 143 Ca -0.49 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.51 3gwp h LEU 143 Cb 1.32 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.96 3gwp h LEU 143 CO 0.63 0.35 0.49 0.50 0.09 0.00 0.00 178.44 180.51 3gwp h LYS 144 N 0.68 1.10 0.00 1.13 3.64 -1.07 0.13 116.57 122.18 3gwp h LYS 144 Ca 0.30 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 3gwp h LYS 144 Cb 0.19 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 3gwp h LYS 144 CO -0.19 0.77 0.00 0.93 -2.27 0.00 0.00 179.45 178.70 3gwp h GLU 145 N 1.12 0.00 -0.69 1.90 5.08 -1.40 -1.56 114.58 119.03 3gwp h GLU 145 Ca 0.29 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.31 3gwp h GLU 145 Cb -0.05 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 28.99 3gwp h GLU 145 CO -0.06 0.00 0.30 1.19 -1.00 0.00 0.00 179.01 179.45 3gwp n PHE 146 N -2.65 2.14 -1.19 4.33 3.72 -0.65 -4.91 117.46 118.25 3gwp n PHE 146 Ca 0.01 -1.70 -0.06 0.00 -0.05 0.00 0.00 57.45 55.65 3gwp n PHE 146 Cb 0.22 -0.73 -0.03 0.00 -0.94 0.00 0.00 39.48 38.01 3gwp n PHE 146 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3gwp n GLY 147 N -1.08 0.81 3.56 1.37 0.00 -0.59 -3.79 105.19 105.46 3gwp n GLY 147 Ca 0.47 -0.29 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 3gwp n GLY 147 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gwp s ILE 148 N -2.00 5.22 0.70 -0.61 1.01 0.36 0.03 121.20 125.91 3gwp s ILE 148 Ca 0.00 0.07 -0.11 0.00 0.00 0.00 0.00 60.65 60.61 3gwp s ILE 148 Cb 0.00 -3.73 0.01 0.00 0.01 0.00 0.00 42.46 38.75 3gwp s ILE 148 CO 0.00 0.02 1.08 0.20 0.00 0.00 0.00 174.94 176.24 3gwp s ASN 149 N 1.72 5.47 0.00 3.58 0.01 0.20 -2.59 114.94 123.34 3gwp s ASN 149 Ca 0.10 1.11 0.01 0.00 -0.71 0.00 0.00 52.86 53.37 3gwp s ASN 149 Cb -0.17 -1.92 -0.00 0.00 0.41 0.00 0.00 41.25 39.57 3gwp s ASN 149 CO 0.11 -1.31 -0.04 -0.47 -1.51 0.00 0.00 177.10 173.88 3gwp s TYR 150 N -3.33 0.33 0.14 2.20 5.04 -1.26 -4.41 117.35 116.05 3gwp s TYR 150 Ca 0.58 -0.10 -0.00 0.00 -2.44 0.00 0.00 57.07 55.11 3gwp s TYR 150 Cb -0.11 -0.21 -0.04 0.00 0.35 0.00 0.00 41.96 41.95 3gwp s TYR 150 CO 0.51 -0.02 0.04 0.15 -1.34 0.00 0.00 175.55 174.89 3gwp s LYS 151 N -0.21 0.95 -0.05 4.97 1.02 -1.26 -5.02 119.74 120.14 3gwp s LYS 151 Ca 0.00 -1.45 -0.08 0.00 0.02 0.00 0.00 55.97 54.46 3gwp s LYS 151 Cb -0.02 0.11 0.02 0.00 -0.52 0.00 0.00 37.83 37.42 3gwp s LYS 151 CO -0.00 -0.22 0.20 -1.14 -0.92 0.00 0.00 175.35 173.27 3gwp s GLN 152 N -4.01 0.33 -0.14 1.68 0.74 -1.26 -2.61 119.66 114.39 3gwp s GLN 152 Ca 0.23 0.08 -0.02 0.00 0.05 0.00 0.00 55.36 55.70 3gwp s GLN 152 Cb 0.07 0.15 0.04 0.00 1.10 0.00 0.00 33.01 34.38 3gwp s GLN 152 CO 0.02 -0.06 -0.00 0.08 -0.55 0.00 0.00 175.29 174.77 3gwp s VAL 153 N -0.38 0.64 0.73 1.34 1.01 -0.31 -4.96 120.40 118.47 3gwp s VAL 153 Ca -0.05 -0.34 -0.11 0.00 0.00 0.00 0.00 61.98 61.48 3gwp s VAL 153 Cb -0.03 -0.93 0.03 0.00 0.00 0.00 0.00 36.38 35.45 3gwp s VAL 153 CO 0.01 0.05 1.08 -1.81 0.00 0.00 0.00 175.10 174.42 3gwp s ASP 154 N 1.83 5.08 0.79 3.32 1.11 -1.26 -2.13 116.67 125.41 3gwp s ASP 154 Ca 0.02 1.44 -0.11 0.00 0.18 0.00 0.00 52.55 54.07 3gwp s ASP 154 Cb -0.15 -2.26 0.07 0.00 1.07 0.00 0.00 42.92 41.65 3gwp s ASP 154 CO -0.07 -1.61 1.09 -0.76 1.18 0.00 0.00 175.17 175.00 3gwp s LEU 155 N -5.60 2.62 0.96 1.23 1.43 -1.26 -4.18 118.68 113.88 3gwp s LEU 155 Ca 0.59 1.33 -0.14 0.00 -1.03 0.00 0.00 54.13 54.88 3gwp s LEU 155 Cb -0.14 -3.95 0.17 0.00 0.03 0.00 0.00 46.19 42.30 3gwp s LEU 155 CO 0.54 -1.95 1.16 -0.54 0.23 0.00 0.00 176.35 175.79 3gwp s LYS 156 N -5.15 0.76 0.37 1.70 1.02 0.07 -4.85 119.74 113.66 3gwp s LYS 156 Ca 0.61 0.14 0.06 0.00 0.02 0.00 0.00 55.97 56.79 3gwp s LYS 156 Cb -0.14 -1.81 0.75 0.00 -0.52 0.00 0.00 37.83 36.11 3gwp s LYS 156 CO 0.54 -2.43 1.99 1.05 -0.92 0.00 0.00 175.35 175.58 3gwp h GLU 157 N -1.66 0.71 0.00 1.68 4.11 -1.97 -1.77 114.58 115.68 3gwp h GLU 157 Ca -0.49 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 58.90 3gwp h GLU 157 Cb 1.31 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.40 3gwp h GLU 157 CO 0.55 0.47 0.00 -0.40 0.07 0.00 0.00 179.01 179.70 3gwp n ASP 158 N -4.47 0.58 0.00 3.06 5.68 -1.26 -4.91 116.55 115.24 3gwp n ASP 158 Ca 0.08 0.62 0.00 0.00 -0.50 0.00 0.00 54.79 55.00 3gwp n ASP 158 Cb 0.16 -0.76 0.00 0.00 -1.14 0.00 0.00 41.12 39.38 3gwp n ASP 158 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gwp n GLY 159 N 0.26 2.71 3.85 6.12 0.00 -0.66 -4.62 105.19 112.83 3gwp n GLY 159 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 3gwp n GLY 159 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gwp s LYS 160 N -0.74 3.30 0.28 1.61 0.00 -1.26 -4.71 119.74 118.23 3gwp s LYS 160 Ca 0.00 0.86 -0.29 0.00 0.00 0.00 0.00 55.97 56.53 3gwp s LYS 160 Cb 0.00 -2.04 -0.10 0.00 0.00 0.00 0.00 37.83 35.69 3gwp s LYS 160 CO 0.00 -0.81 1.17 -1.25 0.00 0.00 0.00 175.35 174.46 3gwp s PRO 161 N -5.07 4.55 -1.11 1.78 0.04 -1.26 -0.75 135.00 133.18 3gwp s PRO 161 Ca 0.57 1.92 -0.21 0.00 0.04 0.00 0.00 61.00 63.32 3gwp s PRO 161 Cb -0.12 -3.16 0.06 0.00 0.04 0.00 0.00 34.50 31.31 3gwp s PRO 161 CO 0.54 0.07 1.53 1.21 0.04 0.00 0.00 177.00 180.39 3gwp s ASN 162 N -0.66 6.61 0.26 6.66 3.84 -1.26 -4.78 114.94 125.62 3gwp s ASN 162 Ca 0.47 -1.78 -0.02 0.00 0.21 0.00 0.00 52.86 51.73 3gwp s ASN 162 Cb -0.34 -2.57 0.33 0.00 -0.55 0.00 0.00 41.25 38.13 3gwp s ASN 162 CO 0.44 -1.39 1.76 -0.07 -2.79 0.00 0.00 177.10 175.05 3gwp h LEU 163 N 12.65 0.77 -0.35 3.21 3.38 -1.95 -2.65 115.31 130.38 3gwp h LEU 163 Ca 0.28 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3gwp h LEU 163 Cb 0.97 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 3gwp h LEU 163 CO 1.43 0.83 0.23 -0.33 0.09 0.00 0.00 178.44 180.68 3gwp h GLU 164 N 0.75 0.46 -0.42 1.13 3.07 -2.01 -2.05 114.58 115.51 3gwp h GLU 164 Ca 0.15 -0.03 -0.06 0.00 -0.50 0.00 0.00 59.36 58.92 3gwp h GLU 164 Cb 0.44 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.23 3gwp h GLU 164 CO 0.02 0.31 0.02 0.93 -1.40 0.00 0.00 179.01 178.89 3gwp h GLU 165 N 0.47 0.74 -0.74 2.33 4.39 -1.97 -2.79 114.58 117.00 3gwp h GLU 165 Ca 0.13 -0.23 0.12 0.00 0.34 0.00 0.00 59.36 59.73 3gwp h GLU 165 Cb -0.04 -0.07 -0.09 0.00 -0.10 0.00 0.00 28.75 28.45 3gwp h GLU 165 CO -0.03 0.80 0.32 0.82 -1.16 0.00 0.00 179.01 179.77 3gwp h ILE 166 N 0.58 0.73 0.38 3.13 2.04 -1.27 0.13 117.51 123.22 3gwp h ILE 166 Ca 0.12 -0.17 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 3gwp h ILE 166 Cb 0.46 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 3gwp h ILE 166 CO 0.02 0.09 -0.18 -0.33 0.00 0.00 0.00 178.15 177.75 3gwp h GLU 167 N 0.50 -0.49 -0.32 2.37 5.08 -1.28 -2.32 114.58 118.13 3gwp h GLU 167 Ca 0.39 0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.82 3gwp h GLU 167 Cb 0.53 0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.86 3gwp h GLU 167 CO -0.35 -0.27 0.10 -0.22 -1.00 0.00 0.00 179.01 177.27 3gwp h LYS 168 N -0.59 0.23 -0.79 2.33 3.64 -1.16 -1.02 116.57 119.20 3gwp h LYS 168 Ca -0.05 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.35 3gwp h LYS 168 Cb 0.44 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.16 3gwp h LYS 168 CO 0.09 0.15 0.50 0.28 -2.27 0.00 0.00 179.45 178.20 3gwp h VAL 169 N 0.23 1.12 -0.32 2.00 2.07 -0.74 -0.51 116.25 120.10 3gwp h VAL 169 Ca 0.14 -0.34 -0.09 0.00 0.82 0.00 0.00 66.70 67.24 3gwp h VAL 169 Cb 0.12 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 29.94 3gwp h VAL 169 CO -0.16 0.18 -0.13 -0.07 0.02 0.00 0.00 177.57 177.41 3gwp h LEU 170 N 0.98 0.68 -0.43 2.57 3.38 -1.08 -2.62 115.31 118.78 3gwp h LEU 170 Ca 0.32 -0.39 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 3gwp h LEU 170 Cb 0.01 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 3gwp h LEU 170 CO -0.11 0.92 0.16 0.11 0.09 0.00 0.00 178.44 179.61 3gwp h LYS 171 N 0.43 0.66 0.00 1.13 1.57 -0.86 -3.14 116.57 116.35 3gwp h LYS 171 Ca 0.08 -0.13 -0.06 0.00 -1.87 0.00 0.00 60.65 58.67 3gwp h LYS 171 Cb 0.65 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 3gwp h LYS 171 CO 0.04 0.61 -0.29 0.93 -0.57 0.00 0.00 179.45 180.18 3gwp h GLU 172 N 0.56 0.00 -3.95 3.15 5.08 -1.12 -3.39 114.58 114.91 3gwp h GLU 172 Ca 0.14 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.89 3gwp h GLU 172 Cb 0.21 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 29.06 3gwp h GLU 172 CO -0.01 0.29 -0.74 0.34 -1.00 0.00 0.00 179.01 177.89 3gwp s ASP 173 N -6.49 4.30 0.00 1.42 -1.08 -0.99 -4.98 116.67 108.85 3gwp s ASP 173 Ca -0.02 -1.89 0.21 0.00 -0.52 0.00 0.00 52.55 50.34 3gwp s ASP 173 Cb 0.13 -1.17 0.96 0.00 -1.46 0.00 0.00 42.92 41.38 3gwp s ASP 173 CO 0.66 -0.39 1.69 -0.62 0.52 0.00 0.00 175.17 177.03 3gwp n GLU 174 N 4.55 0.08 0.15 4.34 1.02 -1.26 -2.97 120.64 126.55 3gwp n GLU 174 Ca 0.01 0.12 0.13 0.00 -0.02 0.00 0.00 57.16 57.40 3gwp n GLU 174 Cb 0.42 -1.50 0.48 0.00 -0.02 0.00 0.00 31.44 30.81 3gwp n GLU 174 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3gwp h SER 175 N 0.00 0.00 -2.47 1.62 0.87 -1.91 -3.43 113.55 108.23 3gwp h SER 175 Ca 0.00 0.00 -0.56 0.00 -1.23 0.00 0.00 61.79 60.00 3gwp h SER 175 Cb 0.32 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.26 3gwp h SER 175 CO 0.00 0.00 1.32 -0.63 -0.53 0.00 0.00 176.83 176.99 3gwp s ILE 176 N -3.30 3.40 -0.53 2.23 1.01 -1.16 -1.19 121.20 121.67 3gwp s ILE 176 Ca 0.06 0.39 0.10 0.00 0.00 0.00 0.00 60.65 61.19 3gwp s ILE 176 Cb 0.10 -3.60 -0.10 0.00 0.01 0.00 0.00 42.46 38.86 3gwp s ILE 176 CO 0.48 -0.43 0.46 0.35 0.00 0.00 0.00 174.94 175.80 3gwp n THR 177 N 7.44 0.00 -4.13 2.92 -2.24 -1.01 -4.89 114.28 112.37 3gwp n THR 177 Ca 0.24 -0.26 -0.15 0.00 -2.27 0.00 0.00 64.05 61.60 3gwp n THR 177 Cb 0.48 1.01 -0.14 0.00 -2.10 0.00 0.00 70.33 69.57 3gwp n THR 177 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3gwp s LEU 178 N -2.43 2.01 -0.28 3.22 2.96 -1.24 -1.62 118.68 121.31 3gwp s LEU 178 Ca 0.04 -0.10 0.02 0.00 -0.22 0.00 0.00 54.13 53.88 3gwp s LEU 178 Cb 0.08 -0.24 0.07 0.00 0.50 0.00 0.00 46.19 46.60 3gwp s LEU 178 CO 0.42 0.05 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.76 3gwp s VAL 179 N -0.14 1.96 0.21 1.68 1.01 -0.73 -1.93 120.40 122.47 3gwp s VAL 179 Ca 0.02 -1.69 -0.30 0.00 0.00 0.00 0.00 61.98 60.00 3gwp s VAL 179 Cb -0.02 -2.22 -0.08 0.00 0.00 0.00 0.00 36.38 34.06 3gwp s VAL 179 CO -0.00 -0.22 0.96 -2.28 0.00 0.00 0.00 175.10 173.56 3gwp s HIS 180 N 1.15 3.91 -0.19 5.22 2.46 0.16 -1.30 115.29 126.70 3gwp s HIS 180 Ca -0.02 1.86 -0.04 0.00 0.47 0.00 0.00 55.06 57.33 3gwp s HIS 180 Cb -0.19 -3.03 0.07 0.00 -0.13 0.00 0.00 32.58 29.29 3gwp s HIS 180 CO -0.07 0.30 0.09 0.42 -2.47 0.00 0.00 174.74 173.00 3gwp s ILE 181 N -0.84 0.01 -0.09 0.89 1.01 0.24 -2.25 121.20 120.18 3gwp s ILE 181 Ca 0.43 -0.32 -0.25 0.00 0.00 0.00 0.00 60.65 60.51 3gwp s ILE 181 Cb -0.26 -0.71 -0.03 0.00 0.01 0.00 0.00 42.46 41.48 3gwp s ILE 181 CO 0.32 -0.34 0.79 -1.58 0.00 0.00 0.00 174.94 174.13 3gwp s GLN 182 N 2.09 4.42 -0.15 2.79 0.74 -1.26 -0.68 119.66 127.61 3gwp s GLN 182 Ca 0.03 1.02 -0.26 0.00 0.05 0.00 0.00 55.36 56.20 3gwp s GLN 182 Cb -0.16 -3.49 -0.25 0.00 1.10 0.00 0.00 33.01 30.21 3gwp s GLN 182 CO -0.13 -0.08 0.62 -0.09 -0.55 0.00 0.00 175.29 175.07 3gwp h ARG 183 N 6.95 0.04 -7.01 1.67 2.43 -1.76 -3.47 114.38 113.23 3gwp h ARG 183 Ca -0.37 -0.07 -0.54 0.00 -0.81 0.00 0.00 59.98 58.19 3gwp h ARG 183 Cb 1.18 0.03 0.11 0.00 -0.42 0.00 0.00 29.97 30.87 3gwp h ARG 183 CO 0.78 1.04 0.61 0.45 -1.51 0.00 0.00 179.97 181.34 3gwp s SER 184 N -6.51 5.78 0.37 -3.80 0.15 -1.26 -4.21 113.70 104.22 3gwp s SER 184 Ca -0.21 2.71 0.10 0.00 0.70 0.00 0.00 55.95 59.25 3gwp s SER 184 Cb 0.00 -2.64 0.73 0.00 -1.71 0.00 0.00 66.02 62.40 3gwp s SER 184 CO 0.68 -1.22 1.86 0.74 1.20 0.00 0.00 173.24 176.50 3gwp h THR 185 N 1.94 1.22 0.00 6.45 2.02 -1.91 -3.48 112.91 119.15 3gwp h THR 185 Ca -0.50 -1.05 0.00 0.00 0.77 0.00 0.00 66.41 65.63 3gwp h THR 185 Cb 1.27 1.46 0.00 0.00 -1.74 0.00 0.00 68.15 69.14 3gwp h THR 185 CO 0.60 0.31 0.00 0.61 0.37 0.00 0.00 175.52 177.41 3gwp n GLY 186 N -0.64 1.85 0.01 2.16 0.00 -1.26 -3.62 105.19 103.70 3gwp n GLY 186 Ca -0.01 -0.56 0.01 0.00 0.00 0.00 0.00 46.02 45.46 3gwp n GLY 186 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3gwp n TYR 187 N 7.17 0.00 -3.05 1.61 4.01 -1.26 -5.04 117.16 120.60 3gwp n TYR 187 Ca 0.00 -0.54 -0.39 0.00 -0.16 0.00 0.00 57.90 56.80 3gwp n TYR 187 Cb 0.00 -0.06 -0.05 0.00 -0.31 0.00 0.00 39.34 38.91 3gwp n TYR 187 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3gwp s GLY 188 N -1.22 2.78 -1.33 2.72 0.00 -1.24 -4.98 107.32 104.06 3gwp s GLY 188 Ca 0.05 0.23 -0.16 0.00 0.00 0.00 0.00 44.72 44.84 3gwp s GLY 188 CO 0.00 0.90 1.83 1.87 0.00 0.00 0.00 173.10 177.71 3gwp n TRP 189 N 2.34 4.34 -3.86 1.90 -0.00 -1.26 -4.88 117.44 116.02 3gwp n TRP 189 Ca -0.05 -2.94 -0.10 0.00 -0.00 0.00 0.00 57.50 54.42 3gwp n TRP 189 Cb 0.50 -2.53 -0.06 0.00 -0.00 0.00 0.00 31.31 29.23 3gwp n TRP 189 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 177.69 178.72 3gwp s ARG 190 N 3.44 1.24 0.55 5.87 1.81 -1.26 -5.11 118.95 125.49 3gwp s ARG 190 Ca 0.50 -1.02 -0.21 0.00 -1.72 0.00 0.00 55.73 53.28 3gwp s ARG 190 Cb 0.06 0.44 -0.05 0.00 -0.45 0.00 0.00 34.95 34.95 3gwp s ARG 190 CO 0.02 -0.49 1.26 -0.98 -0.68 0.00 0.00 175.30 174.44 3gwp s ARG 191 N -3.92 3.16 0.62 3.54 3.03 -1.26 -4.88 118.95 119.24 3gwp s ARG 191 Ca 0.13 1.98 -0.17 0.00 2.03 0.00 0.00 55.73 59.70 3gwp s ARG 191 Cb 0.02 -2.14 -0.02 0.00 -1.03 0.00 0.00 34.95 31.78 3gwp s ARG 191 CO -0.02 -1.10 1.14 0.00 -1.13 0.00 0.00 175.30 174.20 3gwp s ALA 192 N -1.46 2.51 -0.48 7.88 0.00 -1.26 -4.90 121.76 124.05 3gwp s ALA 192 Ca 0.73 0.74 -0.20 0.00 0.00 0.00 0.00 51.96 53.23 3gwp s ALA 192 Cb -0.34 -3.37 0.04 0.00 0.00 0.00 0.00 23.12 19.45 3gwp s ALA 192 CO 0.39 -1.18 0.66 -1.17 0.00 0.00 0.00 175.76 174.47 3gwp s LEU 193 N -4.46 4.64 0.65 0.00 2.96 -1.26 -4.90 118.68 116.31 3gwp s LEU 193 Ca 0.71 -0.57 -0.09 0.00 -0.22 0.00 0.00 54.13 53.97 3gwp s LEU 193 Cb -0.24 -2.62 0.01 0.00 0.50 0.00 0.00 46.19 43.84 3gwp s LEU 193 CO 0.36 -0.87 1.00 -0.76 -1.32 0.00 0.00 176.35 174.77 3gwp s LEU 194 N 2.85 3.06 0.41 -0.68 1.43 -1.26 -4.70 118.68 119.80 3gwp s LEU 194 Ca 0.20 0.94 0.10 0.00 -1.03 0.00 0.00 54.13 54.35 3gwp s LEU 194 Cb -0.16 -3.75 0.93 0.00 0.03 0.00 0.00 46.19 43.24 3gwp s LEU 194 CO 0.16 -1.20 2.00 0.40 0.23 0.00 0.00 176.35 177.94 3gwp h ILE 195 N -0.43 0.98 -0.46 -0.59 1.08 -1.94 0.13 117.51 116.29 3gwp h ILE 195 Ca -0.45 -0.18 0.03 0.00 -0.39 0.00 0.00 64.86 63.87 3gwp h ILE 195 Cb 1.25 0.42 -0.03 0.00 -3.07 0.00 0.00 36.82 35.39 3gwp h ILE 195 CO 0.62 0.09 0.25 -0.08 -0.69 0.00 0.00 178.15 178.35 3gwp h GLU 196 N 0.51 0.49 -0.13 2.37 4.81 -2.00 -0.09 114.58 120.54 3gwp h GLU 196 Ca 0.24 -0.03 -0.17 0.00 -0.13 0.00 0.00 59.36 59.28 3gwp h GLU 196 Cb 0.31 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 3gwp h GLU 196 CO -0.07 0.32 -0.62 -0.44 -0.73 0.00 0.00 179.01 177.48 3gwp h ASP 197 N 0.50 0.52 -0.50 1.04 3.32 -1.36 -2.84 116.42 117.10 3gwp h ASP 197 Ca 0.19 -0.30 -0.07 0.00 0.02 0.00 0.00 57.03 56.87 3gwp h ASP 197 Cb 0.05 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 3gwp h ASP 197 CO -0.11 1.01 0.06 0.40 -1.72 0.00 0.00 179.24 178.87 3gwp h ILE 198 N 0.34 1.25 -0.58 0.35 2.04 -0.56 -2.69 117.51 117.65 3gwp h ILE 198 Ca -0.01 -0.98 -0.01 0.00 1.00 0.00 0.00 64.86 64.86 3gwp h ILE 198 Cb 1.16 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 37.98 3gwp h ILE 198 CO 0.11 0.36 0.33 0.50 0.00 0.00 0.00 178.15 179.45 3gwp h LYS 199 N 0.84 0.79 -0.74 2.37 3.64 -0.91 -1.78 116.57 120.79 3gwp h LYS 199 Ca 0.17 -0.08 0.03 0.00 -1.27 0.00 0.00 60.65 59.50 3gwp h LYS 199 Cb 0.42 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 32.04 3gwp h LYS 199 CO 0.01 0.59 0.49 0.77 -2.27 0.00 0.00 179.45 179.04 3gwp h SER 200 N 0.78 0.79 -0.26 4.20 0.02 -1.27 0.71 113.55 118.51 3gwp h SER 200 Ca 0.21 -0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 61.06 3gwp h SER 200 Cb 0.01 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.36 3gwp h SER 200 CO -0.04 0.54 -0.16 0.40 -1.14 0.00 0.00 176.83 176.44 3gwp h ILE 201 N 0.91 1.30 0.48 3.27 2.04 -1.13 -2.45 117.51 121.94 3gwp h ILE 201 Ca 0.29 -1.26 -0.02 0.00 1.00 0.00 0.00 64.86 64.87 3gwp h ILE 201 Cb 0.04 1.56 0.00 0.00 -0.74 0.00 0.00 36.82 37.69 3gwp h ILE 201 CO -0.08 0.40 -0.23 0.58 0.00 0.00 0.00 178.15 178.81 3gwp h VAL 202 N 0.29 0.50 -1.00 1.67 2.07 -0.77 -1.65 116.25 117.35 3gwp h VAL 202 Ca 0.05 -0.24 0.16 0.00 0.82 0.00 0.00 66.70 67.49 3gwp h VAL 202 Cb 0.68 0.60 -0.09 0.00 -1.52 0.00 0.00 31.29 30.96 3gwp h VAL 202 CO 0.04 0.04 0.62 0.44 0.02 0.00 0.00 177.57 178.73 3gwp h ASP 203 N -0.80 0.83 0.60 0.57 3.32 -0.97 -0.19 116.42 119.78 3gwp h ASP 203 Ca -0.07 0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.03 3gwp h ASP 203 Cb 0.56 -0.08 0.01 0.00 0.22 0.00 0.00 39.33 40.04 3gwp h ASP 203 CO 0.11 0.36 -0.29 0.00 -1.72 0.00 0.00 179.24 177.71 3gwp h VAL 205 N -1.06 1.22 -0.03 0.00 -1.51 -1.01 -2.89 116.25 110.98 3gwp h VAL 205 Ca -0.08 -1.06 -0.15 0.00 -1.23 0.00 0.00 66.70 64.18 3gwp h VAL 205 Cb 0.67 1.48 -0.01 0.00 -2.13 0.00 0.00 31.29 31.30 3gwp h VAL 205 CO 0.14 0.31 -0.67 0.50 -1.23 0.00 0.00 177.57 176.62 3gwp h LYS 206 N 0.10 0.15 -0.60 5.19 1.63 -1.08 -2.87 116.57 119.09 3gwp h LYS 206 Ca 0.02 -0.11 -0.08 0.00 -0.85 0.00 0.00 60.65 59.62 3gwp h LYS 206 Cb 0.54 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.17 3gwp h LYS 206 CO 0.04 0.76 0.06 -0.97 -3.45 0.00 0.00 179.45 175.89 3gwp h ASN 207 N 0.10 0.96 -0.09 4.20 -1.24 -1.21 -1.68 115.58 116.61 3gwp h ASN 207 Ca -0.01 -0.23 -0.07 0.00 0.71 0.00 0.00 56.30 56.69 3gwp h ASN 207 Cb 1.20 -0.25 0.00 0.00 0.73 0.00 0.00 38.32 39.99 3gwp h ASN 207 CO 0.10 0.98 -0.21 0.40 -1.29 0.00 0.00 177.43 177.40 3gwp h ILE 208 N 0.93 1.40 -1.37 2.57 2.04 -1.56 -3.44 117.51 118.09 3gwp h ILE 208 Ca 0.18 -1.52 -0.09 0.00 1.00 0.00 0.00 64.86 64.43 3gwp h ILE 208 Cb 0.46 2.16 -0.25 0.00 -0.74 0.00 0.00 36.82 38.44 3gwp h ILE 208 CO 0.02 0.44 -0.46 -0.60 0.00 0.00 0.00 178.15 177.54 3gwp s ARG 209 N -3.93 0.49 0.65 2.37 3.52 -1.09 -5.03 118.95 115.94 3gwp s ARG 209 Ca -0.14 0.32 0.39 0.00 -0.13 0.00 0.00 55.73 56.17 3gwp s ARG 209 Cb 0.04 -0.04 2.15 0.00 -1.56 0.00 0.00 34.95 35.54 3gwp s ARG 209 CO 0.76 -1.05 2.25 1.57 -0.81 0.00 0.00 175.30 178.02 3gwp h LYS 210 N 8.08 0.00 0.00 5.12 2.10 -1.53 -1.99 116.57 128.35 3gwp h LYS 210 Ca -0.05 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.59 3gwp h LYS 210 Cb 1.15 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.48 3gwp h LYS 210 CO 0.21 0.00 -0.06 0.22 -2.00 0.00 0.00 179.45 177.82 3gwp h ASP 211 N 0.00 0.00 -2.94 7.07 3.58 -1.93 -3.45 116.42 118.76 3gwp h ASP 211 Ca 0.01 0.00 -0.53 0.00 0.42 0.00 0.00 57.03 56.93 3gwp h ASP 211 Cb 0.18 0.00 0.03 0.00 1.72 0.00 0.00 39.33 41.26 3gwp h ASP 211 CO -0.00 0.06 0.78 -0.63 -2.88 0.00 0.00 179.24 176.57 3gwp s ILE 212 N -4.06 3.17 -0.40 2.25 1.01 -0.75 -4.98 121.20 117.45 3gwp s ILE 212 Ca -0.02 0.82 -0.25 0.00 0.00 0.00 0.00 60.65 61.19 3gwp s ILE 212 Cb 0.12 -3.52 0.02 0.00 0.01 0.00 0.00 42.46 39.09 3gwp s ILE 212 CO 0.53 0.06 0.89 -0.63 0.00 0.00 0.00 174.94 175.79 3gwp s ILE 213 N 1.29 4.58 -0.64 2.92 1.01 -0.64 -4.93 121.20 124.79 3gwp s ILE 213 Ca 0.66 0.97 -0.26 0.00 0.00 0.00 0.00 60.65 62.03 3gwp s ILE 213 Cb -0.38 -4.34 0.04 0.00 0.01 0.00 0.00 42.46 37.79 3gwp s ILE 213 CO 0.30 -0.61 1.14 0.00 0.00 0.00 0.00 174.94 175.77 3gwp s PHE 215 N 4.90 3.36 -0.19 0.00 5.36 -0.42 -1.87 117.98 129.13 3gwp s PHE 215 Ca 0.35 0.25 0.01 0.00 -0.96 0.00 0.00 56.93 56.57 3gwp s PHE 215 Cb -0.10 -2.10 0.04 0.00 -0.34 0.00 0.00 43.02 40.52 3gwp s PHE 215 CO 0.18 0.29 -0.10 0.08 -1.46 0.00 0.00 175.22 174.21 3gwp s VAL 216 N 0.20 1.54 -0.60 3.12 1.01 -0.73 -0.59 120.40 124.35 3gwp s VAL 216 Ca 0.07 -0.92 -0.26 0.00 0.00 0.00 0.00 61.98 60.86 3gwp s VAL 216 Cb -0.12 -1.63 -0.02 0.00 0.00 0.00 0.00 36.38 34.61 3gwp s VAL 216 CO -0.01 0.17 1.89 -0.62 0.00 0.00 0.00 175.10 176.54 3gwp s ASP 217 N 1.44 5.23 -0.08 3.32 2.15 0.15 -2.78 116.67 126.10 3gwp s ASP 217 Ca -0.01 0.39 0.07 0.00 0.43 0.00 0.00 52.55 53.44 3gwp s ASP 217 Cb -0.16 -2.53 0.36 0.00 -0.30 0.00 0.00 42.92 40.29 3gwp s ASP 217 CO -0.08 -2.40 1.12 -3.20 -0.17 0.00 0.00 175.17 170.44 3gwp n ASN 218 N 12.90 2.86 -4.74 -0.34 5.15 0.06 -2.14 115.26 129.01 3gwp n ASN 218 Ca 0.21 -2.32 -0.42 0.00 -0.60 0.00 0.00 54.58 51.45 3gwp n ASN 218 Cb 0.52 -0.50 -0.02 0.00 -0.53 0.00 0.00 39.78 39.26 3gwp n ASN 218 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3gwp n TYR 220 N 2.49 0.00 1.22 0.00 4.01 -1.26 -4.21 117.16 119.41 3gwp n TYR 220 Ca 0.10 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.96 3gwp n TYR 220 Cb 0.36 -0.28 0.39 0.00 -0.31 0.00 0.00 39.34 39.51 3gwp n TYR 220 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3gwp n GLY 221 N -1.89 0.38 3.69 2.72 0.00 -0.98 -3.86 105.19 105.25 3gwp n GLY 221 Ca 0.00 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 45.12 3gwp n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gwp s GLU 222 N -1.85 4.28 -0.38 1.61 8.01 -1.25 -4.51 118.70 124.60 3gwp s GLU 222 Ca 0.34 1.99 -0.11 0.00 0.01 0.00 0.00 54.97 57.21 3gwp s GLU 222 Cb 0.19 -3.57 0.01 0.00 -4.31 0.00 0.00 34.13 26.45 3gwp s GLU 222 CO 0.29 -0.59 0.40 1.19 0.01 0.00 0.00 175.26 176.57 3gwp n PHE 223 N 5.39 -3.53 -0.56 1.61 3.72 -1.26 -4.86 117.46 117.96 3gwp n PHE 223 Ca 0.13 1.47 -0.21 0.00 -0.05 0.00 0.00 57.45 58.79 3gwp n PHE 223 Cb 0.43 -3.99 0.02 0.00 -0.94 0.00 0.00 39.48 35.00 3gwp n PHE 223 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3gwp n ASP 225 N -0.01 -2.10 -0.18 4.37 2.03 -1.26 -4.87 116.55 114.54 3gwp n ASP 225 Ca 0.08 0.02 -0.10 0.00 0.52 0.00 0.00 54.79 55.31 3gwp n ASP 225 Cb 0.31 -0.32 0.01 0.00 -0.72 0.00 0.00 41.12 40.40 3gwp n ASP 225 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 3gwp h THR 226 N -0.56 1.27 -3.15 5.18 1.35 -1.99 -3.44 112.91 111.58 3gwp h THR 226 Ca -0.23 -1.24 -0.58 0.00 -0.55 0.00 0.00 66.41 63.81 3gwp h THR 226 Cb 0.77 1.02 -0.04 0.00 -1.73 0.00 0.00 68.15 68.17 3gwp h THR 226 CO 0.12 0.44 -0.32 -0.54 -0.25 0.00 0.00 175.52 174.96 3gwp s LYS 227 N -4.84 3.61 0.37 4.72 3.01 -1.26 -4.94 119.74 120.40 3gwp s LYS 227 Ca -0.12 -0.11 0.08 0.00 -1.01 0.00 0.00 55.97 54.81 3gwp s LYS 227 Cb 0.12 -2.87 -0.04 0.00 -1.01 0.00 0.00 37.83 34.04 3gwp s LYS 227 CO 0.85 0.48 0.20 -1.21 0.51 0.00 0.00 175.35 176.19 3gwp s GLU 228 N -2.63 2.39 0.43 1.68 0.41 -1.26 -4.98 118.70 114.74 3gwp s GLU 228 Ca 0.40 -1.60 0.17 0.00 -0.41 0.00 0.00 54.97 53.53 3gwp s GLU 228 Cb -0.12 -2.18 1.08 0.00 -1.78 0.00 0.00 34.13 31.12 3gwp s GLU 228 CO 0.25 -0.00 1.89 -1.35 -0.49 0.00 0.00 175.26 175.55 3gwp h PRO 229 N 1.40 0.39 0.00 0.39 0.11 -1.96 -0.64 132.00 131.70 3gwp h PRO 229 Ca -0.43 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.61 3gwp h PRO 229 Cb 1.25 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3gwp h PRO 229 CO 0.64 0.26 -0.21 1.79 -0.21 0.00 0.00 178.00 180.26 3gwp h THR 230 N 0.40 0.84 0.00 -1.15 1.35 -1.84 -2.40 112.91 110.12 3gwp h THR 230 Ca 0.42 -0.82 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 3gwp h THR 230 Cb 1.01 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 68.92 3gwp h THR 230 CO -0.14 0.21 0.00 0.44 -0.25 0.00 0.00 175.52 175.78 3gwp h ASP 231 N 0.00 0.00 -0.46 5.36 3.32 -1.33 -3.16 116.42 120.15 3gwp h ASP 231 Ca -0.00 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.94 3gwp h ASP 231 Cb 0.47 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.95 3gwp h ASP 231 CO 0.03 0.00 0.08 1.33 -1.72 0.00 0.00 179.24 178.96 3gwp n VAL 232 N -2.71 2.59 0.00 -1.35 0.24 -0.95 -4.95 118.33 111.20 3gwp n VAL 232 Ca 0.03 -1.96 0.00 0.00 -2.04 0.00 0.00 64.34 60.37 3gwp n VAL 232 Cb 0.37 -0.31 0.00 0.00 -1.47 0.00 0.00 33.84 32.44 3gwp n VAL 232 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3gwp n GLY 233 N -0.48 1.01 3.67 7.63 0.00 -1.19 -4.57 105.19 111.26 3gwp n GLY 233 Ca 0.31 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.90 3gwp n GLY 233 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gwp s ALA 234 N -2.00 3.60 0.24 4.61 0.00 -0.95 -4.84 121.76 122.43 3gwp s ALA 234 Ca 0.00 0.60 0.15 0.00 0.00 0.00 0.00 51.96 52.71 3gwp s ALA 234 Cb 0.00 -3.60 0.60 0.00 0.00 0.00 0.00 23.12 20.12 3gwp s ALA 234 CO 0.00 -1.06 1.72 -0.44 0.00 0.00 0.00 175.76 175.98 3gwp h ASP 235 N 8.09 0.00 -4.78 0.00 5.19 -1.72 -3.41 116.42 119.79 3gwp h ASP 235 Ca -0.31 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.03 3gwp h ASP 235 Cb 1.14 0.00 -0.20 0.00 0.18 0.00 0.00 39.33 40.45 3gwp h ASP 235 CO 0.94 0.45 0.06 -0.22 -3.12 0.00 0.00 179.24 177.34 3gwp s LEU 236 N -7.42 -0.29 0.10 1.55 2.96 -1.01 -1.28 118.68 113.29 3gwp s LEU 236 Ca -0.01 0.71 -0.02 0.00 -0.22 0.00 0.00 54.13 54.59 3gwp s LEU 236 Cb 0.12 2.20 -0.04 0.00 0.50 0.00 0.00 46.19 48.97 3gwp s LEU 236 CO 0.71 -0.49 0.05 0.27 -1.32 0.00 0.00 176.35 175.57 3gwp s ILE 237 N -0.89 0.15 -0.03 6.68 -4.36 0.28 -1.78 121.20 121.25 3gwp s ILE 237 Ca -0.09 -1.79 -0.13 0.00 -0.26 0.00 0.00 60.65 58.37 3gwp s ILE 237 Cb -0.02 -1.79 0.02 0.00 1.25 0.00 0.00 42.46 41.93 3gwp s ILE 237 CO 0.07 -0.67 0.29 0.00 0.24 0.00 0.00 174.94 174.87 3gwp s ALA 238 N -3.98 -0.73 0.28 2.27 0.00 -1.12 -2.38 121.76 116.10 3gwp s ALA 238 Ca 0.16 0.35 -0.10 0.00 0.00 0.00 0.00 51.96 52.37 3gwp s ALA 238 Cb 0.07 -0.00 0.04 0.00 0.00 0.00 0.00 23.12 23.23 3gwp s ALA 238 CO -0.04 -0.24 0.55 0.41 0.00 0.00 0.00 175.76 176.45 3gwp n GLY 239 N 1.52 1.36 3.45 0.00 0.00 -0.98 -0.76 105.19 109.78 3gwp n GLY 239 Ca -0.21 -1.22 -0.33 0.00 0.00 0.00 0.00 46.02 44.27 3gwp n GLY 239 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gwp s SER 240 N -2.49 4.22 0.37 1.61 0.15 -1.26 -2.32 113.70 113.98 3gwp s SER 240 Ca 0.12 -0.21 0.27 0.00 0.70 0.00 0.00 55.95 56.83 3gwp s SER 240 Cb -0.03 -1.33 0.90 0.00 -1.71 0.00 0.00 66.02 63.85 3gwp s SER 240 CO 0.09 0.25 1.78 -0.07 1.20 0.00 0.00 173.24 176.49 3gwp h LEU 241 N 6.06 0.00 -3.35 3.45 3.38 -1.84 -3.39 115.31 119.62 3gwp h LEU 241 Ca -0.36 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.30 3gwp h LEU 241 Cb 1.19 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.80 3gwp h LEU 241 CO 0.54 0.00 0.39 2.30 0.09 0.00 0.00 178.44 181.77 3gwp n ILE 242 N -2.68 2.61 -0.10 1.22 -5.35 -1.26 -2.85 119.36 110.95 3gwp n ILE 242 Ca 0.03 -1.48 -0.06 0.00 -0.27 0.00 0.00 62.75 60.97 3gwp n ILE 242 Cb 0.37 -1.20 0.00 0.00 -1.74 0.00 0.00 39.64 37.06 3gwp n ILE 242 CO 0.00 0.00 0.00 0.78 -1.76 0.00 0.00 176.55 175.57 3gwp h ASN 244 N 1.24 -0.35 0.36 7.28 4.21 -1.94 -2.81 115.58 123.58 3gwp h ASN 244 Ca 0.29 0.11 0.00 0.00 1.21 0.00 0.00 56.30 57.91 3gwp h ASN 244 Cb 1.13 0.22 0.00 0.00 -1.12 0.00 0.00 38.32 38.56 3gwp h ASN 244 CO 0.70 -0.12 0.00 0.00 -1.29 0.00 0.00 177.43 176.72 3gwp n ILE 245 N -5.29 1.18 1.31 2.81 3.06 -1.26 -1.92 119.36 119.25 3gwp n ILE 245 Ca 0.01 0.39 0.13 0.00 -2.50 0.00 0.00 62.75 60.78 3gwp n ILE 245 Cb 0.20 -1.30 0.36 0.00 0.54 0.00 0.00 39.64 39.45 3gwp n ILE 245 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3gwp n GLY 246 N -0.58 0.37 2.38 4.50 0.00 -1.13 -3.47 105.19 107.26 3gwp n GLY 246 Ca 0.01 -0.54 -0.14 0.00 0.00 0.00 0.00 46.02 45.36 3gwp n GLY 246 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gwp n GLY 247 N 1.24 -0.23 2.60 -0.02 0.00 -0.81 -0.73 105.19 107.24 3gwp n GLY 247 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3gwp n GLY 247 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gwp n GLY 248 N -0.76 0.32 0.22 -0.02 0.00 -1.26 -4.81 105.19 98.87 3gwp n GLY 248 Ca -0.16 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 3gwp n GLY 248 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3gwp n ILE 249 N -2.47 0.73 -1.68 -0.61 5.41 0.09 -4.87 119.36 115.96 3gwp n ILE 249 Ca 0.00 -0.25 -0.52 0.00 1.00 0.00 0.00 62.75 62.98 3gwp n ILE 249 Cb 0.19 -1.17 -0.06 0.00 -0.71 0.00 0.00 39.64 37.89 3gwp n ILE 249 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3gwp n ALA 250 N -3.09 0.33 -0.05 -1.39 0.00 -0.71 -4.88 120.51 110.71 3gwp n ALA 250 Ca -0.24 0.36 -0.11 0.00 0.00 0.00 0.00 53.44 53.46 3gwp n ALA 250 Cb 0.72 -2.34 0.02 0.00 0.00 0.00 0.00 19.45 17.86 3gwp n ALA 250 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3gwp h PRO 251 N 7.62 0.75 0.00 0.00 0.13 -1.89 -3.42 132.00 135.18 3gwp h PRO 251 Ca -0.47 -0.43 0.06 0.00 -0.87 0.00 0.00 66.00 64.29 3gwp h PRO 251 Cb 1.29 0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.45 3gwp h PRO 251 CO 0.93 1.05 0.36 -2.37 -0.23 0.00 0.00 178.00 177.75 3gwp n THR 252 N -4.01 0.00 0.00 1.56 5.66 -1.26 -4.84 114.28 111.38 3gwp n THR 252 Ca -0.03 -0.62 0.00 0.00 -3.05 0.00 0.00 64.05 60.35 3gwp n THR 252 Cb 0.58 0.71 0.00 0.00 -1.55 0.00 0.00 70.33 70.07 3gwp n THR 252 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3gwp n GLY 253 N -0.52 -0.29 3.57 1.09 0.00 -1.16 -4.70 105.19 103.19 3gwp n GLY 253 Ca -0.04 -2.23 -0.07 0.00 0.00 0.00 0.00 46.02 43.68 3gwp n GLY 253 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gwp s GLY 254 N 0.00 -0.40 0.20 -0.02 0.00 -0.57 -2.96 107.32 103.57 3gwp s GLY 254 Ca 0.00 0.81 0.05 0.00 0.00 0.00 0.00 44.72 45.58 3gwp s GLY 254 CO 0.00 0.26 -0.07 -2.52 0.00 0.00 0.00 173.10 170.77 3gwp s TYR 255 N -3.11 1.52 -0.11 1.90 1.13 -0.98 -2.00 117.35 115.69 3gwp s TYR 255 Ca 0.07 -0.77 -0.06 0.00 -1.41 0.00 0.00 57.07 54.90 3gwp s TYR 255 Cb -0.01 -0.81 0.05 0.00 -1.10 0.00 0.00 41.96 40.09 3gwp s TYR 255 CO -0.06 0.11 0.27 -0.51 -2.51 0.00 0.00 175.55 172.85 3gwp s LEU 256 N -3.27 0.38 -0.02 -3.49 1.43 -0.73 -2.31 118.68 110.67 3gwp s LEU 256 Ca 0.23 0.58 0.02 0.00 -1.03 0.00 0.00 54.13 53.93 3gwp s LEU 256 Cb 0.03 0.84 0.01 0.00 0.03 0.00 0.00 46.19 47.09 3gwp s LEU 256 CO 0.06 -0.16 -0.07 0.00 0.23 0.00 0.00 176.35 176.41 3gwp s ALA 257 N 1.20 0.67 0.00 4.21 0.00 -1.00 -0.14 121.76 126.69 3gwp s ALA 257 Ca -0.09 -0.22 0.00 0.00 0.00 0.00 0.00 51.96 51.65 3gwp s ALA 257 Cb -0.09 -0.27 0.00 0.00 0.00 0.00 0.00 23.12 22.75 3gwp s ALA 257 CO -0.09 0.09 0.00 0.41 0.00 0.00 0.00 175.76 176.18 3gwp n GLY 258 N 3.36 -0.55 3.75 0.00 0.00 -1.03 -0.55 105.19 110.17 3gwp n GLY 258 Ca -0.18 -0.98 -0.35 0.00 0.00 0.00 0.00 46.02 44.51 3gwp n GLY 258 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gwp s THR 259 N -3.00 2.65 0.34 2.61 -4.23 -0.40 -1.35 115.64 112.25 3gwp s THR 259 Ca 0.00 0.37 0.03 0.00 -1.18 0.00 0.00 61.69 60.90 3gwp s THR 259 Cb 0.00 -3.04 0.28 0.00 1.34 0.00 0.00 72.50 71.08 3gwp s THR 259 CO 0.00 -0.13 1.97 0.50 -0.54 0.00 0.00 174.62 176.42 3gwp h LYS 260 N 0.46 0.86 -0.52 3.99 3.64 -1.90 0.18 116.57 123.29 3gwp h LYS 260 Ca -0.49 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 58.73 3gwp h LYS 260 Cb 1.29 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.89 3gwp h LYS 260 CO 0.54 0.57 -0.09 0.22 -2.27 0.00 0.00 179.45 178.42 3gwp h ASP 261 N 0.89 0.95 -0.07 4.20 3.58 -1.98 -1.82 116.42 122.17 3gwp h ASP 261 Ca 0.30 -0.30 -0.04 0.00 0.42 0.00 0.00 57.03 57.42 3gwp h ASP 261 Cb 0.09 -0.26 -0.00 0.00 1.72 0.00 0.00 39.33 40.88 3gwp h ASP 261 CO -0.09 1.05 -0.12 0.00 -2.88 0.00 0.00 179.24 177.20 3gwp h ILE 263 N -0.27 1.26 -0.11 0.00 1.08 -1.03 -1.84 117.51 116.60 3gwp h ILE 263 Ca 0.00 -1.01 -0.02 0.00 -0.39 0.00 0.00 64.86 63.45 3gwp h ILE 263 Cb 0.68 0.65 -0.00 0.00 -3.07 0.00 0.00 36.82 35.08 3gwp h ILE 263 CO 0.03 0.38 0.00 -0.33 -0.69 0.00 0.00 178.15 177.54 3gwp h GLU 264 N 0.99 0.19 -0.88 2.37 5.08 -1.41 -2.20 114.58 118.71 3gwp h GLU 264 Ca 0.20 -0.06 0.08 0.00 -1.00 0.00 0.00 59.36 58.58 3gwp h GLU 264 Cb 0.42 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.59 3gwp h GLU 264 CO 0.01 0.42 0.57 0.87 -1.00 0.00 0.00 179.01 179.88 3gwp h LYS 265 N -0.08 0.90 -0.40 2.33 1.57 -1.37 -2.71 116.57 116.82 3gwp h LYS 265 Ca 0.03 -0.05 -0.15 0.00 -1.87 0.00 0.00 60.65 58.60 3gwp h LYS 265 Cb 0.34 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 3gwp h LYS 265 CO 0.00 0.60 -0.35 1.15 -0.57 0.00 0.00 179.45 180.28 3gwp h THR 266 N 0.93 1.27 0.00 -0.16 2.02 -1.22 -3.13 112.91 112.62 3gwp h THR 266 Ca 0.39 -1.52 -0.02 0.00 0.77 0.00 0.00 66.41 66.02 3gwp h THR 266 Cb 0.30 1.35 -0.00 0.00 -1.74 0.00 0.00 68.15 68.06 3gwp h THR 266 CO -0.15 0.51 -0.11 0.77 0.37 0.00 0.00 175.52 176.91 3gwp h SER 267 N 0.76 0.00 0.76 4.18 4.64 -1.08 -1.51 113.55 121.31 3gwp h SER 267 Ca 0.07 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.33 3gwp h SER 267 Cb 0.94 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.03 3gwp h SER 267 CO 0.09 0.11 -0.26 1.88 -0.87 0.00 0.00 176.83 177.78 3gwp h TYR 268 N 0.00 0.00 0.06 4.77 0.05 -1.46 -0.05 116.97 120.34 3gwp h TYR 268 Ca -0.00 0.00 -0.15 0.00 0.05 0.00 0.00 58.73 58.63 3gwp h TYR 268 Cb 0.19 0.00 0.01 0.00 1.01 0.00 0.00 36.73 37.95 3gwp h TYR 268 CO 0.00 0.26 -0.60 -0.09 -1.05 0.00 0.00 178.16 176.67 3gwp h ARG 269 N 0.00 0.30 -0.41 4.88 9.65 -1.35 -2.09 114.38 125.36 3gwp h ARG 269 Ca -0.00 -0.41 0.08 0.00 -1.10 0.00 0.00 59.98 58.55 3gwp h ARG 269 Cb 0.71 0.13 -0.07 0.00 -1.39 0.00 0.00 29.97 29.35 3gwp h ARG 269 CO 0.03 1.13 -0.01 1.25 2.80 0.00 0.00 179.97 185.18 3gwp h LEU 270 N -0.33 -0.19 0.00 3.80 5.85 -1.18 -3.42 115.31 119.85 3gwp h LEU 270 Ca -0.09 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3gwp h LEU 270 Cb 1.39 0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.60 3gwp h LEU 270 CO 0.12 -0.06 0.00 0.41 -0.34 0.00 0.00 178.44 178.57 3gwp n THR 271 N -5.21 0.00 -3.48 1.05 -1.04 -0.05 -5.11 114.28 100.44 3gwp n THR 271 Ca 0.03 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.90 3gwp n THR 271 Cb 0.22 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.69 3gwp n THR 271 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 3gwp s VAL 272 N 1.74 0.01 0.38 12.58 -7.23 -0.79 -4.93 120.40 122.16 3gwp s VAL 272 Ca 0.00 -0.05 -0.27 0.00 -1.81 0.00 0.00 61.98 59.85 3gwp s VAL 272 Cb 0.00 -1.00 -0.11 0.00 0.56 0.00 0.00 36.38 35.83 3gwp s VAL 272 CO 0.00 -0.03 1.37 -2.65 -0.31 0.00 0.00 175.10 173.48 3gwp n PRO 273 N 0.17 2.28 0.00 4.82 -0.02 -1.23 -2.31 135.00 138.71 3gwp n PRO 273 Ca -0.18 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 3gwp n PRO 273 Cb 0.62 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 3gwp n PRO 273 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gwp n GLY 274 N 0.65 3.11 0.06 -1.23 0.00 -1.26 -4.78 105.19 101.73 3gwp n GLY 274 Ca 0.04 -0.91 -0.05 0.00 0.00 0.00 0.00 46.02 45.11 3gwp n GLY 274 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3gwp n ILE 275 N 0.00 1.08 -2.72 -0.61 5.41 -1.10 -5.02 119.36 116.39 3gwp n ILE 275 Ca 0.00 0.27 0.00 0.00 1.00 0.00 0.00 62.75 64.02 3gwp n ILE 275 Cb 0.00 -2.15 0.00 0.00 -0.71 0.00 0.00 39.64 36.78 3gwp n ILE 275 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3gwp n GLY 276 N 1.58 2.26 0.27 7.39 0.00 -0.98 -2.71 105.19 113.00 3gwp n GLY 276 Ca -0.07 -0.45 0.15 0.00 0.00 0.00 0.00 46.02 45.64 3gwp n GLY 276 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gwp n GLY 277 N 0.00 -0.47 0.32 -0.02 0.00 -1.26 -4.21 105.19 99.55 3gwp n GLY 277 Ca 0.00 -0.34 0.15 0.00 0.00 0.00 0.00 46.02 45.82 3gwp n GLY 277 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3gwp h GLU 278 N 1.33 0.00 -6.70 1.61 4.81 -1.91 -3.41 114.58 110.31 3gwp h GLU 278 Ca 0.00 0.00 -0.67 0.00 -0.13 0.00 0.00 59.36 58.56 3gwp h GLU 278 Cb 0.33 0.00 -0.19 0.00 0.63 0.00 0.00 28.75 29.52 3gwp h GLU 278 CO 0.00 0.00 -0.81 0.00 -0.73 0.00 0.00 179.01 177.47 3gwp n GLY 280 N 0.63 3.05 3.77 0.00 0.00 0.15 -4.98 105.19 107.81 3gwp n GLY 280 Ca -0.15 -0.21 -0.38 0.00 0.00 0.00 0.00 46.02 45.29 3gwp n GLY 280 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gwp s SER 281 N 0.00 7.40 0.00 1.61 0.01 -1.21 -4.74 113.70 116.77 3gwp s SER 281 Ca 0.00 1.81 0.15 0.00 1.31 0.00 0.00 55.95 59.23 3gwp s SER 281 Cb 0.00 -2.57 0.45 0.00 0.21 0.00 0.00 66.02 64.12 3gwp s SER 281 CO 0.00 0.03 1.37 0.35 0.41 0.00 0.00 173.24 175.40 3gwp n THR 282 N 0.92 0.51 -1.71 1.44 -2.24 -1.26 -4.95 114.28 107.00 3gwp n THR 282 Ca -0.00 -0.55 -0.16 0.00 -2.27 0.00 0.00 64.05 61.07 3gwp n THR 282 Cb 0.49 0.34 -0.05 0.00 -2.10 0.00 0.00 70.33 69.01 3gwp n THR 282 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3gwp n PHE 283 N 0.73 -0.51 -1.40 4.78 3.72 -1.26 -1.83 117.46 121.68 3gwp n PHE 283 Ca 0.15 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.42 3gwp n PHE 283 Cb 0.37 -2.96 -0.06 0.00 -0.94 0.00 0.00 39.48 35.90 3gwp n PHE 283 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3gwp n GLY 284 N -0.44 1.40 0.82 1.37 0.00 -1.26 -4.89 105.19 102.19 3gwp n GLY 284 Ca -0.16 -0.40 0.07 0.00 0.00 0.00 0.00 46.02 45.53 3gwp n GLY 284 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3gwp n VAL 285 N -2.62 1.68 0.18 1.61 0.24 -0.76 -4.60 118.33 114.06 3gwp n VAL 285 Ca -0.13 -1.44 0.03 0.00 -2.04 0.00 0.00 64.34 60.76 3gwp n VAL 285 Cb 0.44 0.11 0.35 0.00 -1.47 0.00 0.00 33.84 33.28 3gwp n VAL 285 CO 0.00 0.00 0.00 1.62 -2.14 0.00 0.00 176.83 176.31 3gwp h VAL 286 N 2.04 1.19 -0.34 3.34 3.04 -1.82 -3.05 116.25 120.65 3gwp h VAL 286 Ca 0.00 -1.38 -0.02 0.00 -1.01 0.00 0.00 66.70 64.28 3gwp h VAL 286 Cb 1.12 1.77 -0.01 0.00 -2.01 0.00 0.00 31.29 32.15 3gwp h VAL 286 CO 0.12 0.38 0.12 -0.09 -1.01 0.00 0.00 177.57 177.10 3gwp h ARG 287 N 0.00 0.51 -1.59 4.17 2.43 -1.89 -1.20 114.38 116.82 3gwp h ARG 287 Ca -0.00 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 3gwp h ARG 287 Cb 0.73 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.21 3gwp h ARG 287 CO 0.05 0.52 0.00 -1.13 -1.51 0.00 0.00 179.97 177.91 3gwp n SER 288 N -4.68 0.17 0.00 -3.80 3.41 -1.15 -0.34 113.62 107.22 3gwp n SER 288 Ca -0.01 -0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.47 3gwp n SER 288 Cb 0.15 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 3gwp n SER 288 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3gwp n TYR 290 N 0.88 0.00 -0.25 7.33 4.01 -0.45 -0.48 117.16 128.19 3gwp n TYR 290 Ca 0.00 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.78 3gwp n TYR 290 Cb 0.03 0.00 0.27 0.00 -0.31 0.00 0.00 39.34 39.33 3gwp n TYR 290 CO 0.00 0.00 0.00 0.37 -0.46 0.00 0.00 176.86 176.77 3gwp h GLN 291 N 0.00 0.93 -0.69 -0.72 4.15 -0.95 -1.83 115.11 116.00 3gwp h GLN 291 Ca 0.00 -0.06 -0.08 0.00 0.77 0.00 0.00 58.65 59.29 3gwp h GLN 291 Cb 0.00 -0.21 -0.03 0.00 0.21 0.00 0.00 27.48 27.45 3gwp h GLN 291 CO 0.00 0.61 0.12 0.78 -1.93 0.00 0.00 178.83 178.42 3gwp h GLY 292 N 0.95 1.22 1.04 2.39 0.00 -0.96 -2.22 103.07 105.49 3gwp h GLY 292 Ca 0.34 -0.80 -0.05 0.00 0.00 0.00 0.00 47.33 46.82 3gwp h GLY 292 CO -0.11 0.74 0.26 -2.00 0.00 0.00 0.00 176.54 175.43 3gwp h LEU 293 N 1.06 1.03 -1.16 3.11 5.85 -1.39 0.00 115.31 123.81 3gwp h LEU 293 Ca 0.21 -0.19 -0.08 0.00 0.84 0.00 0.00 57.88 58.66 3gwp h LEU 293 Cb 0.43 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 3gwp h LEU 293 CO 0.01 0.94 -0.32 0.15 -0.34 0.00 0.00 178.44 178.89 3gwp h PHE 294 N 1.06 0.20 0.00 1.25 3.57 -1.17 -2.76 116.94 119.09 3gwp h PHE 294 Ca 0.24 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.70 3gwp h PHE 294 Cb 0.26 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 38.95 3gwp h PHE 294 CO 0.02 0.48 -0.71 -0.07 -2.23 0.00 0.00 178.31 175.80 3gwp h LEU 295 N 0.16 0.00 -0.36 0.59 3.38 -1.23 -3.41 115.31 114.44 3gwp h LEU 295 Ca 0.02 -0.22 0.08 0.00 0.09 0.00 0.00 57.88 57.85 3gwp h LEU 295 Cb 0.65 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.32 3gwp h LEU 295 CO 0.05 0.11 -0.18 0.00 0.09 0.00 0.00 178.44 178.51 3gwp h ALA 296 N 2.47 0.10 -0.98 1.53 0.00 -0.69 0.16 119.26 121.84 3gwp h ALA 296 Ca 0.00 0.13 0.13 0.00 0.00 0.00 0.00 54.91 55.17 3gwp h ALA 296 Cb 0.76 0.43 -0.08 0.00 0.00 0.00 0.00 17.79 18.90 3gwp h ALA 296 CO 0.00 -0.55 0.62 -1.35 0.00 0.00 0.00 179.25 177.97 3gwp h PRO 297 N -0.12 0.88 0.07 0.00 0.11 -1.79 0.02 132.00 131.18 3gwp h PRO 297 Ca 0.18 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.23 3gwp h PRO 297 Cb 0.39 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.30 3gwp h PRO 297 CO -0.43 0.58 -0.04 1.25 -0.21 0.00 0.00 178.00 179.15 3gwp h HIS 298 N 0.91 -0.09 -0.53 0.65 -0.00 -1.67 -3.35 115.15 111.07 3gwp h HIS 298 Ca 0.49 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.86 3gwp h HIS 298 Cb 0.57 0.03 -0.03 0.00 -0.00 0.00 0.00 27.41 27.99 3gwp h HIS 298 CO -0.00 0.45 0.34 0.82 -0.00 0.00 0.00 177.93 179.53 3gwp h ILE 299 N -0.91 1.14 0.00 6.26 1.08 -0.63 -2.92 117.51 121.53 3gwp h ILE 299 Ca -0.01 -0.28 0.00 0.00 -0.39 0.00 0.00 64.86 64.18 3gwp h ILE 299 Cb 0.58 0.38 0.00 0.00 -3.07 0.00 0.00 36.82 34.71 3gwp h ILE 299 CO 0.02 0.14 0.00 -1.20 -0.69 0.00 0.00 178.15 176.42 3gwp n SER 300 N -4.44 0.00 0.00 1.72 7.64 -0.02 -2.64 113.62 115.88 3gwp n SER 300 Ca 0.05 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.93 3gwp n SER 300 Cb 0.06 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 3gwp n SER 300 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3gwp n GLU 302 N 0.63 0.00 -0.06 1.43 -0.58 -1.10 -1.75 120.64 119.20 3gwp n GLU 302 Ca 0.00 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.61 3gwp n GLU 302 Cb 0.00 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 30.81 3gwp n GLU 302 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3gwp h ALA 303 N 0.00 0.26 -0.69 0.62 0.00 -1.32 -2.72 119.26 115.41 3gwp h ALA 303 Ca 0.00 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.60 3gwp h ALA 303 Cb 0.00 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 3gwp h ALA 303 CO 0.00 0.14 0.45 1.25 0.00 0.00 0.00 179.25 181.09 3gwp h LEU 304 N 0.08 0.77 -1.12 0.00 5.85 -1.63 -0.72 115.31 118.54 3gwp h LEU 304 Ca 0.03 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.75 3gwp h LEU 304 Cb 0.67 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.47 3gwp h LEU 304 CO 0.04 0.55 0.59 0.11 -0.34 0.00 0.00 178.44 179.40 3gwp h LYS 305 N 0.91 1.18 -0.32 1.25 1.57 -1.83 0.86 116.57 120.19 3gwp h LYS 305 Ca 0.26 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.90 3gwp h LYS 305 Cb -0.08 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 31.95 3gwp h LYS 305 CO -0.07 0.78 -0.08 0.78 -0.57 0.00 0.00 179.45 180.29 3gwp h GLY 306 N 1.21 0.56 0.95 3.86 0.00 -1.00 0.43 103.07 109.08 3gwp h GLY 306 Ca 0.33 -0.37 -0.11 0.00 0.00 0.00 0.00 47.33 47.18 3gwp h GLY 306 CO -0.07 0.35 -0.24 0.00 0.00 0.00 0.00 176.54 176.58 3gwp h ALA 307 N 1.43 0.43 -0.40 3.60 0.00 -0.19 -0.23 119.26 123.89 3gwp h ALA 307 Ca 0.10 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 3gwp h ALA 307 Cb 0.45 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3gwp h ALA 307 CO 0.02 0.40 0.19 0.82 0.00 0.00 0.00 179.25 180.69 3gwp h ILE 308 N 0.43 1.18 -0.85 0.00 2.04 -0.58 0.65 117.51 120.38 3gwp h ILE 308 Ca 0.05 -0.50 -0.02 0.00 1.00 0.00 0.00 64.86 65.39 3gwp h ILE 308 Cb 0.79 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 37.60 3gwp h ILE 308 CO 0.06 0.19 0.43 0.25 0.00 0.00 0.00 178.15 179.08 3gwp h LEU 309 N 0.51 1.09 -0.04 1.44 5.85 -0.89 -2.01 115.31 121.24 3gwp h LEU 309 Ca 0.14 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 3gwp h LEU 309 Cb 0.12 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 40.87 3gwp h LEU 309 CO -0.02 0.90 0.02 0.00 -0.34 0.00 0.00 178.44 179.00 3gwp h SER 311 N -0.06 0.84 0.07 0.00 0.02 -0.62 -3.19 113.55 110.61 3gwp h SER 311 Ca 0.01 0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 60.88 3gwp h SER 311 Cb 0.13 -0.16 0.01 0.00 0.14 0.00 0.00 62.40 62.52 3gwp h SER 311 CO -0.00 0.52 -0.47 -0.09 -1.14 0.00 0.00 176.83 175.65 3gwp h ARG 312 N 0.95 0.15 -1.47 3.45 9.65 -1.27 -2.86 114.38 122.98 3gwp h ARG 312 Ca 0.40 -0.26 0.00 0.00 -1.10 0.00 0.00 59.98 59.02 3gwp h ARG 312 Cb 0.31 0.10 0.00 0.00 -1.39 0.00 0.00 29.97 28.98 3gwp h ARG 312 CO -0.16 1.12 0.00 1.51 2.80 0.00 0.00 179.97 185.24 3gwp n ILE 313 N -4.35 0.24 0.00 1.20 3.06 -0.71 -1.84 119.36 116.97 3gwp n ILE 313 Ca -0.13 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.12 3gwp n ILE 313 Cb 0.66 -0.56 0.00 0.00 0.54 0.00 0.00 39.64 40.28 3gwp n ILE 313 CO 0.00 0.00 0.00 1.21 -2.50 0.00 0.00 176.55 175.26 3gwp n GLU 315 N 0.77 0.00 0.22 9.51 2.13 -1.08 -1.51 120.64 130.68 3gwp n GLU 315 Ca 0.00 0.00 0.07 0.00 0.66 0.00 0.00 57.16 57.89 3gwp n GLU 315 Cb 0.13 0.00 0.51 0.00 0.27 0.00 0.00 31.44 32.36 3gwp n GLU 315 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 3gwp h LEU 316 N 0.00 0.00 0.00 4.31 3.38 -1.65 -1.95 115.31 119.39 3gwp h LEU 316 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3gwp h LEU 316 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3gwp h LEU 316 CO 0.00 0.25 0.00 0.00 0.09 0.00 0.00 178.44 178.78 3gwp n ALA 317 N -2.38 2.14 -0.03 1.53 0.00 -0.57 -4.88 120.51 116.33 3gwp n ALA 317 Ca -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3gwp n ALA 317 Cb 0.33 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.44 3gwp n ALA 317 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gwp n GLY 318 N 0.50 0.84 3.84 0.00 0.00 -0.73 -5.08 105.19 104.56 3gwp n GLY 318 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 3gwp n GLY 318 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gwp s PHE 319 N -2.02 3.44 0.36 1.61 0.08 -1.25 -5.03 117.98 115.17 3gwp s PHE 319 Ca 0.00 0.34 -0.26 0.00 0.12 0.00 0.00 56.93 57.13 3gwp s PHE 319 Cb 0.00 -1.83 -0.09 0.00 -0.57 0.00 0.00 43.02 40.53 3gwp s PHE 319 CO 0.00 0.62 1.05 -1.21 -0.10 0.00 0.00 175.22 175.58 3gwp s GLU 320 N -1.53 4.35 0.05 0.44 2.02 -1.24 -3.86 118.70 118.93 3gwp s GLU 320 Ca 0.21 1.56 0.01 0.00 0.02 0.00 0.00 54.97 56.77 3gwp s GLU 320 Cb -0.12 -2.75 -0.00 0.00 0.10 0.00 0.00 34.13 31.35 3gwp s GLU 320 CO 0.12 0.01 0.02 1.33 0.02 0.00 0.00 175.26 176.76 3gwp n VAL 321 N 0.36 0.00 -0.66 2.63 0.24 -1.26 -1.41 118.33 118.23 3gwp n VAL 321 Ca 0.03 -0.29 -0.31 0.00 -2.04 0.00 0.00 64.34 61.72 3gwp n VAL 321 Cb 0.48 0.12 0.17 0.00 -1.47 0.00 0.00 33.84 33.14 3gwp n VAL 321 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 3gwp n PRO 323 N -0.10 -1.70 -1.84 7.34 -0.02 -1.26 -4.99 135.00 132.43 3gwp n PRO 323 Ca -0.00 -0.48 -0.30 0.00 -2.02 0.00 0.00 63.50 60.70 3gwp n PRO 323 Cb 0.07 -1.67 0.06 0.00 -0.02 0.00 0.00 33.50 31.94 3gwp n PRO 323 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 3gwp s LYS 324 N -3.43 2.67 0.32 -0.52 0.00 -1.26 -4.86 119.74 112.67 3gwp s LYS 324 Ca 0.54 0.46 0.05 0.00 0.00 0.00 0.00 55.97 57.02 3gwp s LYS 324 Cb -0.10 -2.00 0.56 0.00 0.00 0.00 0.00 37.83 36.29 3gwp s LYS 324 CO 0.64 -1.17 1.82 0.10 0.00 0.00 0.00 175.35 176.73 3gwp h TYR 325 N -0.75 0.45 -0.59 1.78 -0.00 -1.86 -3.12 116.97 112.88 3gwp h TYR 325 Ca -0.45 -0.07 0.00 0.00 -0.00 0.00 0.00 58.73 58.21 3gwp h TYR 325 Cb 1.26 -0.12 0.00 0.00 -0.00 0.00 0.00 36.73 37.87 3gwp h TYR 325 CO 0.48 0.56 0.00 -0.40 -0.00 0.00 0.00 178.16 178.80 3gwp n ASP 326 N -4.20 3.22 -4.88 0.10 5.68 -1.26 -4.96 116.55 110.24 3gwp n ASP 326 Ca 0.00 -1.99 -0.32 0.00 -0.50 0.00 0.00 54.79 51.98 3gwp n ASP 326 Cb 0.33 -0.39 -0.05 0.00 -1.14 0.00 0.00 41.12 39.86 3gwp n ASP 326 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 3gwp s GLU 327 N -1.22 3.73 0.03 0.11 2.02 -1.18 -5.05 118.70 117.14 3gwp s GLU 327 Ca 0.40 0.14 -0.30 0.00 0.02 0.00 0.00 54.97 55.23 3gwp s GLU 327 Cb 0.21 -2.72 -0.05 0.00 0.10 0.00 0.00 34.13 31.67 3gwp s GLU 327 CO 0.28 0.37 1.27 0.21 0.02 0.00 0.00 175.26 177.41 3gwp s LYS 328 N -2.78 4.37 0.10 1.61 2.36 -1.26 -4.93 119.74 119.20 3gwp s LYS 328 Ca 0.45 1.84 0.03 0.00 -2.55 0.00 0.00 55.97 55.74 3gwp s LYS 328 Cb -0.11 -3.42 -0.04 0.00 -1.05 0.00 0.00 37.83 33.20 3gwp s LYS 328 CO 0.23 -0.39 0.13 1.03 1.55 0.00 0.00 175.35 177.90 3gwp s ARG 329 N 1.59 3.04 -0.00 4.03 0.52 -1.26 -4.69 118.95 122.18 3gwp s ARG 329 Ca 0.60 -0.67 0.10 0.00 -0.52 0.00 0.00 55.73 55.24 3gwp s ARG 329 Cb -0.30 -2.79 -0.12 0.00 0.52 0.00 0.00 34.95 32.26 3gwp s ARG 329 CO 0.27 0.56 0.42 0.45 0.02 0.00 0.00 175.30 177.01 3gwp n SER 330 N 0.19 0.70 -3.55 0.23 2.88 -1.26 -4.90 113.62 107.91 3gwp n SER 330 Ca -0.08 -0.67 -0.10 0.00 -1.33 0.00 0.00 58.87 56.70 3gwp n SER 330 Cb 0.52 1.05 -0.03 0.00 -0.75 0.00 0.00 64.21 65.01 3gwp n SER 330 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 3gwp s ASP 331 N -2.10 0.12 0.00 -3.46 1.47 -1.26 -3.96 116.67 107.48 3gwp s ASP 331 Ca 0.03 -1.04 0.23 0.00 1.18 0.00 0.00 52.55 52.95 3gwp s ASP 331 Cb 0.08 0.70 0.78 0.00 -0.34 0.00 0.00 42.92 44.13 3gwp s ASP 331 CO 0.43 -1.35 1.57 2.30 0.68 0.00 0.00 175.17 178.80 3gwp n ILE 332 N -0.47 0.17 -2.77 2.11 -5.35 -1.25 -4.93 119.36 106.86 3gwp n ILE 332 Ca -0.03 -0.36 -0.41 0.00 -0.27 0.00 0.00 62.75 61.68 3gwp n ILE 332 Cb 0.61 0.50 -0.05 0.00 -1.74 0.00 0.00 39.64 38.96 3gwp n ILE 332 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3gwp s ILE 333 N -1.83 4.50 -0.13 7.28 1.01 -1.26 -4.43 121.20 126.35 3gwp s ILE 333 Ca 0.34 2.00 0.00 0.00 0.00 0.00 0.00 60.65 63.00 3gwp s ILE 333 Cb 0.19 -4.29 0.02 0.00 0.01 0.00 0.00 42.46 38.39 3gwp s ILE 333 CO 0.29 0.34 -0.12 -1.58 0.00 0.00 0.00 174.94 173.87 3gwp s GLN 334 N -0.12 1.97 -0.05 2.79 2.00 -0.15 -4.66 119.66 121.44 3gwp s GLN 334 Ca 0.45 -0.44 -0.03 0.00 -2.00 0.00 0.00 55.36 53.34 3gwp s GLN 334 Cb -0.23 -1.85 -0.04 0.00 0.80 0.00 0.00 33.01 31.69 3gwp s GLN 334 CO 0.29 -0.21 0.14 -1.54 -0.50 0.00 0.00 175.29 173.47 3gwp s SER 335 N 1.45 6.15 -0.09 6.67 1.04 -1.26 -0.68 113.70 126.98 3gwp s SER 335 Ca 0.02 0.33 -0.01 0.00 0.48 0.00 0.00 55.95 56.77 3gwp s SER 335 Cb -0.13 -1.90 0.03 0.00 0.10 0.00 0.00 66.02 64.11 3gwp s SER 335 CO -0.08 0.32 -0.03 -0.63 0.98 0.00 0.00 173.24 173.80 3gwp s ILE 336 N -1.18 0.63 -0.34 -1.02 1.01 0.31 -4.59 121.20 116.02 3gwp s ILE 336 Ca 0.22 -0.05 -0.22 0.00 0.00 0.00 0.00 60.65 60.60 3gwp s ILE 336 Cb -0.12 -0.73 0.00 0.00 0.01 0.00 0.00 42.46 41.62 3gwp s ILE 336 CO 0.12 0.30 0.74 -0.75 0.00 0.00 0.00 174.94 175.35 3gwp s LYS 337 N 1.82 3.80 -0.10 2.79 2.20 -0.50 -1.19 119.74 128.56 3gwp s LYS 337 Ca 0.04 0.31 0.18 0.00 -0.36 0.00 0.00 55.97 56.15 3gwp s LYS 337 Cb -0.12 -3.78 -0.25 0.00 -1.51 0.00 0.00 37.83 32.16 3gwp s LYS 337 CO -0.06 -0.76 0.34 1.19 -0.36 0.00 0.00 175.35 175.70 3gwp n PHE 338 N 6.24 0.25 -2.65 4.03 3.72 -0.55 -3.65 117.46 124.84 3gwp n PHE 338 Ca 0.02 0.08 -0.18 0.00 -0.05 0.00 0.00 57.45 57.33 3gwp n PHE 338 Cb 0.48 -0.91 0.00 0.00 -0.94 0.00 0.00 39.48 38.11 3gwp n PHE 338 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3gwp n ASN 339 N -2.68 -4.77 -3.64 4.37 5.03 0.15 -4.94 115.26 108.78 3gwp n ASN 339 Ca -0.21 -0.02 -0.06 0.00 0.87 0.00 0.00 54.58 55.16 3gwp n ASN 339 Cb 0.96 -3.97 -0.07 0.00 -1.02 0.00 0.00 39.78 35.67 3gwp n ASN 339 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3gwp s ASP 340 N -2.24 -0.74 0.08 6.41 2.15 -1.26 -5.01 116.67 116.05 3gwp s ASP 340 Ca 0.11 1.21 -0.21 0.00 0.43 0.00 0.00 52.55 54.08 3gwp s ASP 340 Cb -0.05 1.30 -0.12 0.00 -0.30 0.00 0.00 42.92 43.75 3gwp s ASP 340 CO 0.13 -0.19 1.60 0.50 -0.17 0.00 0.00 175.17 177.04 3gwp h LYS 341 N 6.40 0.19 0.02 4.34 3.64 -1.95 -2.89 116.57 126.33 3gwp h LYS 341 Ca -0.29 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.06 3gwp h LYS 341 Cb 1.21 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.99 3gwp h LYS 341 CO 0.17 0.30 -0.05 -0.44 -2.27 0.00 0.00 179.45 177.16 3gwp h ASP 342 N 0.04 -0.13 -0.73 4.20 5.19 -1.99 -1.88 116.42 121.13 3gwp h ASP 342 Ca 0.04 0.02 0.09 0.00 -0.62 0.00 0.00 57.03 56.56 3gwp h ASP 342 Cb 0.18 0.05 -0.05 0.00 0.18 0.00 0.00 39.33 39.70 3gwp h ASP 342 CO -0.00 -0.07 0.48 0.11 -3.12 0.00 0.00 179.24 176.63 3gwp h LYS 343 N -0.09 0.63 -0.13 3.56 1.57 -1.94 0.84 116.57 121.02 3gwp h LYS 343 Ca 0.01 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 3gwp h LYS 343 Cb 0.11 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 3gwp h LYS 343 CO -0.03 0.42 -0.08 1.25 -0.57 0.00 0.00 179.45 180.43 3gwp h LEU 344 N 0.65 0.29 -0.01 2.94 5.85 -1.27 -2.74 115.31 121.01 3gwp h LEU 344 Ca 0.33 -0.44 -0.00 0.00 0.84 0.00 0.00 57.88 58.61 3gwp h LEU 344 Cb 0.43 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.38 3gwp h LEU 344 CO -0.12 0.67 0.01 0.40 -0.34 0.00 0.00 178.44 179.06 3gwp h ILE 345 N -0.09 1.09 -0.49 4.05 1.08 -0.64 -2.65 117.51 119.86 3gwp h ILE 345 Ca 0.02 -0.25 0.01 0.00 -0.39 0.00 0.00 64.86 64.25 3gwp h ILE 345 Cb 0.57 1.23 -0.03 0.00 -3.07 0.00 0.00 36.82 35.53 3gwp h ILE 345 CO 0.02 0.07 0.33 -0.33 -0.69 0.00 0.00 178.15 177.55 3gwp h GLU 346 N -0.08 0.62 -0.24 2.37 4.39 -0.95 -0.97 114.58 119.72 3gwp h GLU 346 Ca 0.00 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.64 3gwp h GLU 346 Cb 0.10 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 3gwp h GLU 346 CO -0.00 0.41 0.05 0.35 -1.16 0.00 0.00 179.01 178.66 3gwp h PHE 347 N 0.64 0.42 -0.64 4.33 3.57 -1.37 -2.10 116.94 121.80 3gwp h PHE 347 Ca 0.19 -0.05 -0.08 0.00 3.53 0.00 0.00 57.97 61.55 3gwp h PHE 347 Cb -0.03 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.57 3gwp h PHE 347 CO -0.00 0.50 0.08 0.00 -2.23 0.00 0.00 178.31 176.67 3gwp h LYS 349 N 0.99 1.20 -0.41 0.00 1.57 -1.15 -1.93 116.57 116.84 3gwp h LYS 349 Ca 0.19 -0.12 -0.11 0.00 -1.87 0.00 0.00 60.65 58.74 3gwp h LYS 349 Cb 0.45 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 3gwp h LYS 349 CO 0.02 0.85 -0.19 0.78 -0.57 0.00 0.00 179.45 180.33 3gwp h GLY 350 N 1.23 0.87 0.98 3.86 0.00 -1.11 -1.03 103.07 107.85 3gwp h GLY 350 Ca 0.31 -0.72 -0.07 0.00 0.00 0.00 0.00 47.33 46.86 3gwp h GLY 350 CO -0.06 0.66 0.03 -2.22 0.00 0.00 0.00 176.54 174.95 3gwp h ILE 351 N 0.71 1.26 -0.81 2.60 1.08 -1.20 -0.89 117.51 120.25 3gwp h ILE 351 Ca 0.10 -1.00 -0.01 0.00 -0.39 0.00 0.00 64.86 63.56 3gwp h ILE 351 Cb 0.70 1.01 -0.04 0.00 -3.07 0.00 0.00 36.82 35.42 3gwp h ILE 351 CO 0.05 0.35 0.46 -0.61 -0.69 0.00 0.00 178.15 177.71 3gwp h GLN 352 N 0.64 1.11 -0.75 2.37 5.75 -1.22 -1.66 115.11 121.35 3gwp h GLN 352 Ca 0.13 -0.11 -0.03 0.00 -0.15 0.00 0.00 58.65 58.49 3gwp h GLN 352 Cb 0.46 -0.23 -0.03 0.00 1.07 0.00 0.00 27.48 28.75 3gwp h GLN 352 CO 0.02 0.80 0.34 1.15 -2.65 0.00 0.00 178.83 178.49 3gwp h THR 353 N 1.12 1.24 0.00 2.39 2.02 -0.84 -2.80 112.91 116.05 3gwp h THR 353 Ca 0.29 -0.70 0.00 0.00 0.77 0.00 0.00 66.41 66.76 3gwp h THR 353 Cb -0.00 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 66.70 3gwp h THR 353 CO -0.05 0.29 0.00 0.61 0.37 0.00 0.00 175.52 176.74 3gwp n GLY 354 N -1.02 -0.97 3.81 2.16 0.00 -0.37 -4.83 105.19 103.95 3gwp n GLY 354 Ca 0.07 -0.19 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 3gwp n GLY 354 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gwp s SER 355 N -2.02 6.92 0.17 1.61 0.01 -0.94 -4.69 113.70 114.76 3gwp s SER 355 Ca 0.46 1.78 -0.01 0.00 1.31 0.00 0.00 55.95 59.48 3gwp s SER 355 Cb 0.21 -2.55 0.05 0.00 0.21 0.00 0.00 66.02 63.93 3gwp s SER 355 CO 0.36 -0.37 1.42 1.55 0.41 0.00 0.00 173.24 176.61 3gwp h PRO 356 N 2.14 0.39 -6.22 12.44 0.13 -1.89 -3.38 132.00 135.60 3gwp h PRO 356 Ca -0.49 -0.33 -0.66 0.00 -0.87 0.00 0.00 66.00 63.65 3gwp h PRO 356 Cb 1.19 0.07 -0.13 0.00 0.13 0.00 0.00 31.00 32.26 3gwp h PRO 356 CO 0.62 0.97 -0.65 0.42 -0.23 0.00 0.00 178.00 179.13 3gwp s ILE 357 N -3.57 4.09 -1.51 -3.56 -1.09 -1.26 -4.60 121.20 109.70 3gwp s ILE 357 Ca -0.05 -0.73 -0.11 0.00 -2.23 0.00 0.00 60.65 57.53 3gwp s ILE 357 Cb 0.10 -2.86 0.07 0.00 -1.58 0.00 0.00 42.46 38.20 3gwp s ILE 357 CO 0.84 0.30 0.87 0.47 -1.23 0.00 0.00 174.94 176.19 3gwp n ASP 358 N 1.15 -3.67 -0.10 3.58 8.00 -1.26 -4.40 116.55 119.85 3gwp n ASP 358 Ca -0.13 -0.83 -0.12 0.00 0.71 0.00 0.00 54.79 54.42 3gwp n ASP 358 Cb 0.52 -3.72 -0.04 0.00 -0.02 0.00 0.00 41.12 37.86 3gwp n ASP 358 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 3gwp h SER 359 N -1.97 0.60 0.39 -2.24 0.87 -1.75 -3.05 113.55 106.41 3gwp h SER 359 Ca -0.59 -0.38 -0.03 0.00 -1.23 0.00 0.00 61.79 59.56 3gwp h SER 359 Cb 1.37 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 63.16 3gwp h SER 359 CO 0.66 0.85 -0.13 2.19 -0.53 0.00 0.00 176.83 179.88 3gwp h PHE 360 N 0.35 0.00 -1.95 2.24 -0.00 -1.90 -3.37 116.94 112.32 3gwp h PHE 360 Ca 0.07 0.00 -0.51 0.00 -0.00 0.00 0.00 57.97 57.54 3gwp h PHE 360 Cb 0.60 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 36.54 3gwp h PHE 360 CO 0.06 0.13 1.46 0.08 -0.00 0.00 0.00 178.31 180.04 3gwp s VAL 361 N -4.18 3.21 -0.48 0.88 1.01 -1.15 -4.92 120.40 114.76 3gwp s VAL 361 Ca -0.03 0.15 -0.28 0.00 0.00 0.00 0.00 61.98 61.82 3gwp s VAL 361 Cb 0.13 -3.45 0.01 0.00 0.00 0.00 0.00 36.38 33.07 3gwp s VAL 361 CO 0.59 -0.40 1.43 -0.55 0.00 0.00 0.00 175.10 176.17 3gwp s SER 362 N 9.39 6.21 0.32 3.32 0.15 -1.26 -4.89 113.70 126.94 3gwp s SER 362 Ca 0.84 0.58 -0.27 0.00 0.70 0.00 0.00 55.95 57.80 3gwp s SER 362 Cb -0.18 -2.54 -0.10 0.00 -1.71 0.00 0.00 66.02 61.50 3gwp s SER 362 CO 0.26 -1.58 0.99 0.00 1.20 0.00 0.00 173.24 174.10 3gwp s GLU 364 N -1.93 1.44 0.52 0.00 -1.05 -1.26 -4.80 118.70 111.62 3gwp s GLU 364 Ca 0.50 -1.42 -0.23 0.00 -0.15 0.00 0.00 54.97 53.67 3gwp s GLU 364 Cb -0.22 0.39 -0.06 0.00 -0.44 0.00 0.00 34.13 33.81 3gwp s GLU 364 CO 0.28 -0.56 1.39 -2.30 0.95 0.00 0.00 175.26 175.02 3gwp n PRO 365 N -0.35 1.84 -3.61 -4.83 -0.02 -1.26 -4.61 135.00 122.16 3gwp n PRO 365 Ca -0.00 0.67 -0.15 0.00 -2.02 0.00 0.00 63.50 62.00 3gwp n PRO 365 Cb 0.63 -2.60 -0.07 0.00 -0.02 0.00 0.00 33.50 31.44 3gwp n PRO 365 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3gwp s TRP 366 N -1.26 -0.66 0.40 6.00 0.23 -0.38 -4.91 118.94 118.37 3gwp s TRP 366 Ca 0.69 1.40 0.05 0.00 -2.03 0.00 0.00 56.10 56.21 3gwp s TRP 366 Cb -0.42 0.30 0.00 0.00 0.03 0.00 0.00 33.47 33.38 3gwp s TRP 366 CO 0.51 -0.46 0.57 0.16 0.96 0.00 0.00 176.95 178.70 3gwp s ASP 367 N -0.39 5.80 0.00 2.95 1.47 -1.26 0.00 116.67 125.24 3gwp s ASP 367 Ca -0.05 -0.08 0.00 0.00 1.18 0.00 0.00 52.55 53.59 3gwp s ASP 367 Cb -0.03 -1.17 0.00 0.00 -0.34 0.00 0.00 42.92 41.38 3gwp s ASP 367 CO 0.05 -0.64 0.00 0.35 0.68 0.00 0.00 175.17 175.61 3gwp n THR 372 N -1.87 0.00 -4.02 2.11 -2.24 -1.26 -4.98 114.28 102.02 3gwp n THR 372 Ca 0.03 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.70 3gwp n THR 372 Cb 0.58 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.77 3gwp n THR 372 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3gwp s ASP 373 N -0.77 0.25 0.74 3.42 1.47 -1.26 -5.16 116.67 115.36 3gwp s ASP 373 Ca 0.00 -1.15 -0.15 0.00 1.18 0.00 0.00 52.55 52.43 3gwp s ASP 373 Cb 0.00 0.62 0.04 0.00 -0.34 0.00 0.00 42.92 43.25 3gwp s ASP 373 CO 0.00 -1.22 1.22 -1.10 0.68 0.00 0.00 175.17 174.75 3gwp s GLN 374 N -3.58 2.06 -0.00 2.11 -0.21 -1.26 -4.86 119.66 113.91 3gwp s GLN 374 Ca 0.25 1.79 -0.03 0.00 0.02 0.00 0.00 55.36 57.40 3gwp s GLN 374 Cb -0.01 -1.82 -0.00 0.00 1.00 0.00 0.00 33.01 32.18 3gwp s GLN 374 CO 0.13 -1.91 0.05 0.14 -2.12 0.00 0.00 175.29 171.58 3gwp s VAL 375 N -1.96 0.05 0.47 1.09 -7.23 0.10 -0.89 120.40 112.03 3gwp s VAL 375 Ca 0.75 -0.45 0.04 0.00 -1.81 0.00 0.00 61.98 60.51 3gwp s VAL 375 Cb -0.30 -0.23 -0.04 0.00 0.56 0.00 0.00 36.38 36.37 3gwp s VAL 375 CO 0.46 -0.25 0.07 -0.51 -0.31 0.00 0.00 175.10 174.56 3gwp s ILE 376 N -0.77 1.65 -0.29 -0.62 2.07 -0.67 -1.24 121.20 121.33 3gwp s ILE 376 Ca -0.08 -1.91 -0.00 0.00 -1.41 0.00 0.00 60.65 57.24 3gwp s ILE 376 Cb -0.05 -2.56 0.18 0.00 0.13 0.00 0.00 42.46 40.16 3gwp s ILE 376 CO 0.00 0.00 0.56 0.00 -1.91 0.00 0.00 174.94 173.60 3gwp s ALA 378 N -2.77 -2.10 -0.05 1.50 0.00 0.36 -1.63 121.76 117.07 3gwp s ALA 378 Ca 0.23 1.59 -0.02 0.00 0.00 0.00 0.00 51.96 53.76 3gwp s ALA 378 Cb 0.04 -2.15 0.03 0.00 0.00 0.00 0.00 23.12 21.05 3gwp s ALA 378 CO 0.12 -1.39 0.08 0.00 0.00 0.00 0.00 175.76 174.58 3gwp s ALA 379 N 2.81 0.03 -0.48 0.00 0.00 -1.26 -0.65 121.76 122.20 3gwp s ALA 379 Ca 0.18 0.38 0.07 0.00 0.00 0.00 0.00 51.96 52.59 3gwp s ALA 379 Cb -0.14 -0.52 0.19 0.00 0.00 0.00 0.00 23.12 22.64 3gwp s ALA 379 CO -0.21 -0.34 0.70 0.20 0.00 0.00 0.00 175.76 176.11 3gwp s GLY 380 N 1.71 -1.27 0.24 0.00 0.00 -1.26 -4.89 107.32 101.84 3gwp s GLY 380 Ca -0.02 -0.18 0.07 0.00 0.00 0.00 0.00 44.72 44.60 3gwp s GLY 380 CO -0.04 3.68 -0.10 0.00 0.00 0.00 0.00 173.10 176.63 3gwp s ALA 381 N 1.21 2.20 -0.00 3.20 0.00 -1.26 -3.99 121.76 123.11 3gwp s ALA 381 Ca 0.25 -1.79 -0.23 0.00 0.00 0.00 0.00 51.96 50.20 3gwp s ALA 381 Cb -0.01 0.05 -0.19 0.00 0.00 0.00 0.00 23.12 22.97 3gwp s ALA 381 CO -0.06 0.01 1.21 0.74 0.00 0.00 0.00 175.76 177.66 3gwp h PHE 382 N 2.41 0.30 -3.58 0.00 0.04 -1.97 -3.41 116.94 110.74 3gwp h PHE 382 Ca -0.39 -0.12 -0.61 0.00 2.80 0.00 0.00 57.97 59.65 3gwp h PHE 382 Cb 1.23 -0.05 -0.13 0.00 2.20 0.00 0.00 35.95 39.20 3gwp h PHE 382 CO 0.70 0.78 -0.12 0.42 -0.60 0.00 0.00 178.31 179.49 3gwp s ILE 383 N -3.86 5.13 -0.01 -0.55 -1.09 -1.26 -5.02 121.20 114.55 3gwp s ILE 383 Ca -0.15 0.77 -0.32 0.00 -2.23 0.00 0.00 60.65 58.72 3gwp s ILE 383 Cb 0.03 -3.77 -0.11 0.00 -1.58 0.00 0.00 42.46 37.03 3gwp s ILE 383 CO 0.74 0.16 1.90 1.67 -1.23 0.00 0.00 174.94 178.18 3gwp n GLN 384 N 5.12 2.50 -1.54 2.79 7.27 -1.26 -1.85 117.38 130.41 3gwp n GLN 384 Ca -0.06 0.92 -0.11 0.00 0.07 0.00 0.00 57.00 57.82 3gwp n GLN 384 Cb 0.50 -2.81 -0.03 0.00 2.41 0.00 0.00 30.24 30.31 3gwp n GLN 384 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3gwp n GLY 385 N 4.41 0.87 3.65 1.69 0.00 -1.26 -4.97 105.19 109.57 3gwp n GLY 385 Ca 0.21 -0.52 -0.43 0.00 0.00 0.00 0.00 46.02 45.29 3gwp n GLY 385 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gwp s SER 386 N -2.79 6.73 0.45 1.61 0.15 -0.77 -4.89 113.70 114.19 3gwp s SER 386 Ca 0.00 1.69 0.28 0.00 0.70 0.00 0.00 55.95 58.62 3gwp s SER 386 Cb 0.00 -2.54 0.94 0.00 -1.71 0.00 0.00 66.02 62.71 3gwp s SER 386 CO 0.00 -0.95 1.81 0.28 1.20 0.00 0.00 173.24 175.58 3gwp h SER 387 N 9.16 0.00 1.45 5.45 0.02 -1.85 -3.09 113.55 124.69 3gwp h SER 387 Ca -0.30 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.62 3gwp h SER 387 Cb 1.13 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.66 3gwp h SER 387 CO 0.99 0.00 -0.14 -0.29 -1.14 0.00 0.00 176.83 176.25 3gwp h ILE 388 N 0.00 0.27 -3.77 3.27 6.09 -1.91 -3.16 117.51 118.31 3gwp h ILE 388 Ca 0.00 -1.13 -0.49 0.00 -1.37 0.00 0.00 64.86 61.87 3gwp h ILE 388 Cb 0.68 1.91 -0.01 0.00 0.47 0.00 0.00 36.82 39.86 3gwp h ILE 388 CO 0.00 0.14 0.14 -1.61 -3.07 0.00 0.00 178.15 173.74 3gwp s GLU 389 N -3.37 3.94 -0.01 2.19 2.02 -1.17 0.45 118.70 122.75 3gwp s GLU 389 Ca 0.04 0.65 -0.35 0.00 0.02 0.00 0.00 54.97 55.32 3gwp s GLU 389 Cb 0.07 -2.38 -0.14 0.00 0.10 0.00 0.00 34.13 31.78 3gwp s GLU 389 CO 0.65 0.05 1.67 -0.11 0.02 0.00 0.00 175.26 177.54 3gwp n LEU 390 N -0.76 2.86 -3.55 1.80 7.94 -1.25 -4.15 117.00 119.89 3gwp n LEU 390 Ca 0.04 1.05 -0.09 0.00 -1.11 0.00 0.00 56.01 55.89 3gwp n LEU 390 Cb 0.54 -1.32 -0.02 0.00 0.53 0.00 0.00 43.42 43.15 3gwp n LEU 390 CO 0.43 -0.36 0.54 -0.94 -1.11 0.00 0.00 177.39 175.96 3gwp s SER 391 N 2.39 -0.41 -0.07 1.96 1.04 -0.35 -4.48 113.70 113.78 3gwp s SER 391 Ca 0.88 -0.14 -0.22 0.00 0.48 0.00 0.00 55.95 56.94 3gwp s SER 391 Cb -0.79 0.54 0.05 0.00 0.10 0.00 0.00 66.02 65.91 3gwp s SER 391 CO 0.49 -0.91 0.51 0.00 0.98 0.00 0.00 173.24 174.31 3gwp s ALA 392 N -3.52 -1.31 0.05 5.32 0.00 0.18 -1.21 121.76 121.26 3gwp s ALA 392 Ca 0.05 0.98 -0.03 0.00 0.00 0.00 0.00 51.96 52.96 3gwp s ALA 392 Cb -0.02 -0.15 -0.02 0.00 0.00 0.00 0.00 23.12 22.93 3gwp s ALA 392 CO -0.07 -0.31 0.04 0.16 0.00 0.00 0.00 175.76 175.58 3gwp s ASP 393 N -0.95 0.31 -0.29 0.00 -4.77 -0.96 0.14 116.67 110.13 3gwp s ASP 393 Ca -0.10 -0.73 -0.15 0.00 -3.30 0.00 0.00 52.55 48.28 3gwp s ASP 393 Cb -0.03 0.21 0.14 0.00 -1.09 0.00 0.00 42.92 42.15 3gwp s ASP 393 CO 0.06 -0.54 0.89 0.00 0.70 0.00 0.00 175.17 176.28 3gwp s ALA 394 N -3.11 -2.33 0.23 2.11 0.00 -0.65 -1.22 121.76 116.79 3gwp s ALA 394 Ca -0.01 2.21 -0.30 0.00 0.00 0.00 0.00 51.96 53.86 3gwp s ALA 394 Cb 0.02 -1.80 -0.09 0.00 0.00 0.00 0.00 23.12 21.26 3gwp s ALA 394 CO -0.07 -0.65 1.01 -1.25 0.00 0.00 0.00 175.76 174.80 3gwp s PRO 395 N 2.00 4.74 -0.96 0.00 0.04 -1.26 -1.66 135.00 137.90 3gwp s PRO 395 Ca -0.07 1.60 -0.22 0.00 0.04 0.00 0.00 61.00 62.36 3gwp s PRO 395 Cb -0.06 -3.27 0.08 0.00 0.04 0.00 0.00 34.50 31.29 3gwp s PRO 395 CO -0.17 0.34 1.31 0.42 0.04 0.00 0.00 177.00 178.94 3gwp s ILE 396 N -0.90 4.19 0.02 0.56 1.01 -0.07 -4.61 121.20 121.40 3gwp s ILE 396 Ca 0.44 -0.93 -0.28 0.00 0.00 0.00 0.00 60.65 59.88 3gwp s ILE 396 Cb -0.28 -4.94 0.10 0.00 0.01 0.00 0.00 42.46 37.35 3gwp s ILE 396 CO 0.35 -1.77 0.82 0.00 0.00 0.00 0.00 174.94 174.33 3gwp s ARG 397 N 4.24 0.92 0.50 2.79 1.70 -1.26 -4.68 118.95 123.15 3gwp s ARG 397 Ca 0.40 -0.28 -0.23 0.00 -0.47 0.00 0.00 55.73 55.16 3gwp s ARG 397 Cb -0.03 0.43 -0.06 0.00 -0.57 0.00 0.00 34.95 34.72 3gwp s ARG 397 CO -0.07 -0.39 1.29 -1.83 -1.08 0.00 0.00 175.30 173.22 3gwp s GLU 398 N -3.01 3.44 -0.11 3.89 -1.05 -1.26 -0.14 118.70 120.46 3gwp s GLU 398 Ca 0.03 2.08 0.03 0.00 -0.15 0.00 0.00 54.97 56.95 3gwp s GLU 398 Cb -0.01 -2.36 0.24 0.00 -0.44 0.00 0.00 34.13 31.56 3gwp s GLU 398 CO -0.08 -0.90 1.10 -0.35 0.95 0.00 0.00 175.26 175.98 3gwp n PRO 399 N -0.72 1.82 -2.90 -4.83 -0.04 -1.26 -4.94 135.00 122.14 3gwp n PRO 399 Ca 0.09 -0.99 -0.08 0.00 -0.04 0.00 0.00 63.50 62.48 3gwp n PRO 399 Cb 0.46 -1.56 0.01 0.00 -0.04 0.00 0.00 33.50 32.37 3gwp n PRO 399 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3gwp n TYR 400 N 0.09 -3.40 -4.06 0.54 4.01 0.79 -0.67 117.16 114.46 3gwp n TYR 400 Ca 0.14 1.36 -0.34 0.00 -0.16 0.00 0.00 57.90 58.90 3gwp n TYR 400 Cb 0.72 -4.02 -0.10 0.00 -0.31 0.00 0.00 39.34 35.63 3gwp n TYR 400 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3gwp s ILE 401 N -2.63 4.66 0.08 -0.72 1.01 -1.26 -1.48 121.20 120.86 3gwp s ILE 401 Ca 0.22 -0.08 0.01 0.00 0.00 0.00 0.00 60.65 60.80 3gwp s ILE 401 Cb -0.06 -3.09 -0.04 0.00 0.01 0.00 0.00 42.46 39.28 3gwp s ILE 401 CO 0.77 0.47 0.20 0.00 0.00 0.00 0.00 174.94 176.38 3gwp s ALA 402 N 0.36 3.93 -0.33 9.38 0.00 -0.33 -4.37 121.76 130.40 3gwp s ALA 402 Ca 0.02 -0.90 0.01 0.00 0.00 0.00 0.00 51.96 51.09 3gwp s ALA 402 Cb -0.13 -1.75 0.10 0.00 0.00 0.00 0.00 23.12 21.34 3gwp s ALA 402 CO 0.00 0.77 0.08 0.71 0.00 0.00 0.00 175.76 177.33 3gwp s TYR 403 N -1.53 2.60 -0.04 0.00 1.51 -0.36 -0.53 117.35 119.00 3gwp s TYR 403 Ca 0.34 -2.30 -0.14 0.00 -1.01 0.00 0.00 57.07 53.96 3gwp s TYR 403 Cb -0.13 -2.24 -0.05 0.00 -0.11 0.00 0.00 41.96 39.43 3gwp s TYR 403 CO 0.27 -0.91 0.37 -1.17 -1.11 0.00 0.00 175.55 173.01 3gwp s LEU 404 N 1.28 4.43 0.10 -1.29 0.20 0.14 -2.27 118.68 121.26 3gwp s LEU 404 Ca 0.11 0.85 -0.07 0.00 0.69 0.00 0.00 54.13 55.70 3gwp s LEU 404 Cb -0.18 -2.52 -0.01 0.00 -0.43 0.00 0.00 46.19 43.05 3gwp s LEU 404 CO -0.17 0.28 0.16 -1.10 -0.29 0.00 0.00 176.35 175.23 3gwp s GLN 405 N -0.76 0.86 0.16 1.98 1.11 -0.35 -0.98 119.66 121.67 3gwp s GLN 405 Ca 0.22 -1.05 0.00 0.00 0.01 0.00 0.00 55.36 54.54 3gwp s GLN 405 Cb -0.16 0.32 0.00 0.00 -1.01 0.00 0.00 33.01 32.17 3gwp s GLN 405 CO 0.11 -0.27 0.00 0.41 0.01 0.00 0.00 175.29 175.56 3gwp n GLY 406 N -0.06 -2.37 0.00 3.09 0.00 -1.19 -1.21 105.19 103.44 3gwp n GLY 406 Ca -0.13 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.52 3gwp n GLY 406 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gwp n GLY 407 N -2.95 0.35 0.30 -0.02 0.00 0.17 -3.86 105.19 99.20 3gwp n GLY 407 Ca -0.02 0.46 0.12 0.00 0.00 0.00 0.00 46.02 46.59 3gwp n GLY 407 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3gwp h LEU 408 N 0.00 -0.00 -8.37 0.99 3.38 -1.89 -2.95 115.31 106.47 3gwp h LEU 408 Ca 0.00 0.19 -0.48 0.00 0.09 0.00 0.00 57.88 57.68 3gwp h LEU 408 Cb 0.00 0.26 -0.25 0.00 0.09 0.00 0.00 40.66 40.75 3gwp h LEU 408 CO 0.00 -0.14 -0.81 0.42 0.09 0.00 0.00 178.44 178.00 3gwp s THR 409 N -5.95 1.26 0.34 0.22 -4.23 -1.26 -4.78 115.64 101.25 3gwp s THR 409 Ca -0.12 -1.00 0.05 0.00 -1.18 0.00 0.00 61.69 59.43 3gwp s THR 409 Cb 0.25 -1.11 0.29 0.00 1.34 0.00 0.00 72.50 73.27 3gwp s THR 409 CO 0.77 0.09 1.93 0.15 -0.54 0.00 0.00 174.62 177.03 3gwp h PHE 410 N 5.02 0.84 -0.55 3.99 3.57 -1.76 -2.21 116.94 125.84 3gwp h PHE 410 Ca -0.39 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.18 3gwp h PHE 410 Cb 1.17 -0.28 -0.04 0.00 2.79 0.00 0.00 35.95 39.59 3gwp h PHE 410 CO 0.51 0.43 0.30 -0.44 -2.23 0.00 0.00 178.31 176.88 3gwp h ASP 411 N 0.82 0.46 -0.57 0.41 3.32 -1.95 -1.13 116.42 117.77 3gwp h ASP 411 Ca 0.35 0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.36 3gwp h ASP 411 Cb 0.30 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 3gwp h ASP 411 CO -0.13 0.31 0.11 -0.74 -1.72 0.00 0.00 179.24 177.07 3gwp h HIS 412 N 0.58 0.99 -0.16 4.55 2.76 -1.81 -1.99 115.15 120.08 3gwp h HIS 412 Ca 0.24 -0.13 0.04 0.00 -2.20 0.00 0.00 60.37 58.32 3gwp h HIS 412 Cb 0.11 -0.27 -0.04 0.00 1.55 0.00 0.00 27.41 28.76 3gwp h HIS 412 CO -0.09 0.86 -0.09 0.00 -1.30 0.00 0.00 177.93 177.32 3gwp h ALA 413 N 1.01 0.04 0.00 5.26 0.00 -1.01 -1.71 119.26 122.85 3gwp h ALA 413 Ca 0.18 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.08 3gwp h ALA 413 Cb 0.39 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3gwp h ALA 413 CO 0.01 -0.53 -0.32 1.57 0.00 0.00 0.00 179.25 179.98 3gwp h LYS 414 N -0.08 0.00 -0.27 0.00 2.10 -1.12 -1.87 116.57 115.32 3gwp h LYS 414 Ca 0.09 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.62 3gwp h LYS 414 Cb 0.21 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.53 3gwp h LYS 414 CO -0.21 0.32 -0.31 0.82 -2.00 0.00 0.00 179.45 178.07 3gwp h ILE 415 N 0.00 1.28 -0.23 0.07 2.04 -0.84 -1.27 117.51 118.57 3gwp h ILE 415 Ca -0.00 -1.41 -0.20 0.00 1.00 0.00 0.00 64.86 64.24 3gwp h ILE 415 Cb 0.67 1.41 0.00 0.00 -0.74 0.00 0.00 36.82 38.17 3gwp h ILE 415 CO 0.04 0.45 -0.64 1.23 0.00 0.00 0.00 178.15 179.23 3gwp h GLY 416 N 1.03 0.90 0.78 5.37 0.00 -0.85 -2.73 103.07 107.57 3gwp h GLY 416 Ca 0.06 -1.14 -0.02 0.00 0.00 0.00 0.00 47.33 46.23 3gwp h GLY 416 CO 0.06 1.02 0.00 -2.22 0.00 0.00 0.00 176.54 175.40 3gwp h ILE 417 N 0.60 1.25 -0.73 2.60 2.04 -1.27 -1.16 117.51 120.84 3gwp h ILE 417 Ca -0.01 -0.82 -0.02 0.00 1.00 0.00 0.00 64.86 65.00 3gwp h ILE 417 Cb 1.26 1.52 -0.03 0.00 -0.74 0.00 0.00 36.82 38.82 3gwp h ILE 417 CO 0.14 0.24 0.36 -0.07 0.00 0.00 0.00 178.15 178.82 3gwp h LEU 418 N -0.01 0.93 -0.52 1.44 4.07 -1.32 0.18 115.31 120.09 3gwp h LEU 418 Ca 0.04 -0.10 -0.07 0.00 0.08 0.00 0.00 57.88 57.84 3gwp h LEU 418 Cb 0.37 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 41.85 3gwp h LEU 418 CO 0.01 0.78 0.06 0.40 -1.08 0.00 0.00 178.44 178.61 3gwp h ILE 419 N 1.03 1.25 -0.05 1.22 2.04 -1.41 -2.26 117.51 119.34 3gwp h ILE 419 Ca 0.25 -0.98 -0.02 0.00 1.00 0.00 0.00 64.86 65.11 3gwp h ILE 419 Cb 0.09 0.88 -0.00 0.00 -0.74 0.00 0.00 36.82 37.05 3gwp h ILE 419 CO -0.03 0.35 -0.05 0.00 0.00 0.00 0.00 178.15 178.42 3gwp h ALA 420 N 0.97 0.07 0.00 1.87 0.00 -0.76 -3.24 119.26 118.17 3gwp h ALA 420 Ca 0.15 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 3gwp h ALA 420 Cb 0.43 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3gwp h ALA 420 CO 0.01 -0.14 -0.21 1.25 0.00 0.00 0.00 179.25 180.16 3gwp h LEU 421 N -0.34 0.00 -1.61 0.00 5.85 -0.72 -2.56 115.31 115.93 3gwp h LEU 421 Ca 0.01 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 3gwp h LEU 421 Cb 0.55 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.58 3gwp h LEU 421 CO 0.01 0.21 -0.02 0.28 -0.34 0.00 0.00 178.44 178.59 3gwp h SER 422 N 0.00 0.00 1.22 1.25 0.02 -1.43 -1.09 113.55 113.52 3gwp h SER 422 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3gwp h SER 422 Cb 0.39 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.93 3gwp h SER 422 CO 0.03 0.02 -0.25 0.54 -1.14 0.00 0.00 176.83 176.02 3gwp n ARG 423 N -3.12 0.27 -0.10 3.45 1.74 -0.97 -4.34 116.66 113.59 3gwp n ARG 423 Ca 0.00 0.16 -0.17 0.00 -0.77 0.00 0.00 57.85 57.07 3gwp n ARG 423 Cb 0.29 -1.75 -0.09 0.00 -1.02 0.00 0.00 32.46 29.89 3gwp n ARG 423 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3gwp n ILE 424 N -2.18 1.18 -4.81 0.55 5.41 -0.86 -5.00 119.36 113.65 3gwp n ILE 424 Ca 0.05 -0.40 -0.33 0.00 1.00 0.00 0.00 62.75 63.06 3gwp n ILE 424 Cb 0.43 -1.39 -0.14 0.00 -0.71 0.00 0.00 39.64 37.83 3gwp n ILE 424 CO 0.00 0.00 0.00 0.68 0.00 0.00 0.00 176.55 177.23 3gwp s VAL 425 N -2.40 3.11 0.00 1.39 -7.23 -0.47 -5.11 120.40 109.69 3gwp s VAL 425 Ca -0.28 -0.67 0.00 0.00 -1.81 0.00 0.00 61.98 59.21 3gwp s VAL 425 Cb 0.08 -2.27 0.00 0.00 0.56 0.00 0.00 36.38 34.76 3gwp s VAL 425 CO 0.44 0.56 0.00 0.29 -0.31 0.00 0.00 175.10 176.08