#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jwg h LEU 13 N 0.00 0.38 -0.54 1.20 -0.00 -2.06 -3.20 115.31 111.09 3jwg h LEU 13 Ca 0.00 -0.43 -0.13 0.00 -0.00 0.00 0.00 57.88 57.33 3jwg h LEU 13 Cb 0.00 -0.13 -0.02 0.00 -0.00 0.00 0.00 40.66 40.52 3jwg h LEU 13 CO 0.00 1.34 -0.60 0.78 -0.00 0.00 0.00 178.44 179.96 3jwg h ASN 14 N 0.07 0.00 -0.37 0.17 2.35 -2.05 -3.02 115.58 112.73 3jwg h ASN 14 Ca -0.14 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.63 3jwg h ASN 14 Cb 1.96 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 40.31 3jwg h ASN 14 CO 0.19 0.60 0.25 -0.61 -1.65 0.00 0.00 177.43 176.21 3jwg h GLN 15 N 0.00 0.44 -0.09 0.81 5.75 -1.98 0.15 115.11 120.18 3jwg h GLN 15 Ca -0.01 -0.03 -0.23 0.00 -0.15 0.00 0.00 58.65 58.24 3jwg h GLN 15 Cb 1.22 -0.10 0.01 0.00 1.07 0.00 0.00 27.48 29.68 3jwg h GLN 15 CO 0.08 0.29 -0.86 0.37 -2.65 0.00 0.00 178.83 176.06 3jwg h GLN 16 N 0.45 0.68 -0.20 1.69 -0.00 -1.59 -1.16 115.11 114.98 3jwg h GLN 16 Ca 0.14 -0.61 -0.01 0.00 -0.00 0.00 0.00 58.65 58.17 3jwg h GLN 16 Cb 0.03 0.15 -0.01 0.00 0.00 0.00 0.00 27.48 27.65 3jwg h GLN 16 CO -0.03 1.22 0.08 -0.09 0.00 0.00 0.00 178.83 180.01 3jwg h ARG 17 N 0.43 0.29 -0.44 1.69 2.43 -1.18 -1.47 114.38 116.13 3jwg h ARG 17 Ca -0.07 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 58.96 3jwg h ARG 17 Cb 1.49 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.97 3jwg h ARG 17 CO 0.17 0.35 -0.07 -0.07 -1.51 0.00 0.00 179.97 178.83 3jwg h LEU 18 N 0.17 0.75 -1.28 3.80 3.38 -0.80 -2.39 115.31 118.94 3jwg h LEU 18 Ca 0.07 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 3jwg h LEU 18 Cb 0.16 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 3jwg h LEU 18 CO -0.01 0.86 0.39 1.23 0.09 0.00 0.00 178.44 181.00 3jwg h GLY 19 N 0.97 0.93 0.97 0.83 0.00 -0.89 -1.26 103.07 104.62 3jwg h GLY 19 Ca 0.13 -0.38 -0.05 0.00 0.00 0.00 0.00 47.33 47.03 3jwg h GLY 19 CO 0.03 0.37 0.12 -0.84 0.00 0.00 0.00 176.54 176.22 3jwg h THR 20 N 0.89 1.24 -0.39 4.70 2.02 -0.78 -1.36 112.91 119.22 3jwg h THR 20 Ca 0.23 -0.83 0.02 0.00 0.77 0.00 0.00 66.41 66.60 3jwg h THR 20 Cb -0.03 0.87 -0.03 0.00 -1.74 0.00 0.00 68.15 67.22 3jwg h THR 20 CO -0.04 0.30 0.23 0.58 0.37 0.00 0.00 175.52 176.95 3jwg h VAL 21 N 0.64 1.04 -0.56 3.16 2.07 -0.97 -1.33 116.25 120.30 3jwg h VAL 21 Ca 0.15 -0.16 0.03 0.00 0.82 0.00 0.00 66.70 67.54 3jwg h VAL 21 Cb 0.33 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 30.59 3jwg h VAL 21 CO 0.00 0.09 0.33 0.58 0.02 0.00 0.00 177.57 178.58 3jwg h VAL 22 N 0.47 1.03 -0.85 2.57 2.07 -1.00 -1.70 116.25 118.84 3jwg h VAL 22 Ca 0.16 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 3jwg h VAL 22 Cb 0.01 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 30.07 3jwg h VAL 22 CO -0.07 0.12 0.45 0.00 0.02 0.00 0.00 177.57 178.09 3jwg h ALA 23 N 1.26 1.08 -0.30 1.67 0.00 -0.88 -0.50 119.26 121.59 3jwg h ALA 23 Ca 0.23 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3jwg h ALA 23 Cb 0.06 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3jwg h ALA 23 CO -0.12 0.60 0.14 0.28 0.00 0.00 0.00 179.25 180.16 3jwg h VAL 24 N 1.18 1.16 -0.26 0.00 2.07 -0.78 0.15 116.25 119.77 3jwg h VAL 24 Ca 0.30 -0.45 0.04 0.00 0.82 0.00 0.00 66.70 67.40 3jwg h VAL 24 Cb 0.05 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 3jwg h VAL 24 CO -0.05 0.16 0.04 -0.07 0.02 0.00 0.00 177.57 177.67 3jwg h LEU 25 N 0.36 -0.03 -0.88 2.57 3.38 -0.90 -1.71 115.31 118.10 3jwg h LEU 25 Ca 0.10 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 3jwg h LEU 25 Cb 0.12 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 3jwg h LEU 25 CO -0.01 0.02 0.47 0.50 0.09 0.00 0.00 178.44 179.50 3jwg h LYS 26 N 0.13 1.24 0.00 1.13 1.63 -0.88 -1.59 116.57 118.23 3jwg h LYS 26 Ca 0.12 -0.16 -0.01 0.00 -0.85 0.00 0.00 60.65 59.76 3jwg h LYS 26 Cb 0.14 -0.24 -0.00 0.00 -0.60 0.00 0.00 32.23 31.53 3jwg h LYS 26 CO -0.18 0.92 -0.03 0.66 -3.45 0.00 0.00 179.45 177.37 3jwg h SER 27 N 1.24 0.00 -0.52 4.20 4.64 0.16 -0.64 113.55 122.62 3jwg h SER 27 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 3jwg h SER 27 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 3jwg h SER 27 CO -0.05 0.03 0.00 1.33 -0.87 0.00 0.00 176.83 177.28 3jwg n VAL 28 N -4.19 0.69 -3.50 0.95 0.24 -0.79 -4.96 118.33 106.77 3jwg n VAL 28 Ca -0.03 -0.84 -0.22 0.00 -2.04 0.00 0.00 64.34 61.21 3jwg n VAL 28 Cb 0.12 0.81 0.07 0.00 -1.47 0.00 0.00 33.84 33.37 3jwg n VAL 28 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 3jwg n ASN 29 N 1.56 -6.02 -4.68 -1.34 5.15 -0.25 -4.96 115.26 104.71 3jwg n ASN 29 Ca 0.21 -0.49 -0.42 0.00 -0.60 0.00 0.00 54.58 53.28 3jwg n ASN 29 Cb 0.62 -4.64 -0.03 0.00 -0.53 0.00 0.00 39.78 35.19 3jwg n ASN 29 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3jwg s ALA 30 N -3.29 3.42 -0.04 5.20 0.00 -0.65 -4.91 121.76 121.49 3jwg s ALA 30 Ca 0.54 0.30 0.13 0.00 0.00 0.00 0.00 51.96 52.93 3jwg s ALA 30 Cb -0.24 -3.38 -0.20 0.00 0.00 0.00 0.00 23.12 19.31 3jwg s ALA 30 CO 0.66 -0.60 0.24 1.63 0.00 0.00 0.00 175.76 177.69 3jwg n LYS 31 N 5.01 0.73 -4.08 0.00 5.02 -1.26 -4.72 118.16 118.85 3jwg n LYS 31 Ca 0.08 -0.10 -0.32 0.00 -2.02 0.00 0.00 58.31 55.95 3jwg n LYS 31 Cb 0.49 -1.32 -0.15 0.00 -0.02 0.00 0.00 35.03 34.03 3jwg n LYS 31 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3jwg s LYS 32 N -2.79 2.47 -0.03 1.97 1.02 -1.26 -0.22 119.74 120.90 3jwg s LYS 32 Ca -0.05 -1.17 0.06 0.00 0.02 0.00 0.00 55.97 54.82 3jwg s LYS 32 Cb 0.07 -2.78 -0.01 0.00 -0.52 0.00 0.00 37.83 34.60 3jwg s LYS 32 CO 0.54 -0.45 -0.21 0.08 -0.92 0.00 0.00 175.35 174.39 3jwg s VAL 33 N 1.17 1.67 -0.14 3.17 1.01 -0.10 -0.59 120.40 126.59 3jwg s VAL 33 Ca -0.04 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.08 3jwg s VAL 33 Cb -0.18 -1.41 0.01 0.00 0.00 0.00 0.00 36.38 34.81 3jwg s VAL 33 CO -0.08 0.47 -0.22 -0.51 0.00 0.00 0.00 175.10 174.77 3jwg s ILE 34 N -0.27 2.04 -0.41 2.22 2.07 -0.74 -1.07 121.20 125.04 3jwg s ILE 34 Ca 0.02 -0.97 -0.13 0.00 -1.41 0.00 0.00 60.65 58.17 3jwg s ILE 34 Cb -0.10 -1.80 0.04 0.00 0.13 0.00 0.00 42.46 40.73 3jwg s ILE 34 CO 0.01 0.55 0.27 -0.62 -1.91 0.00 0.00 174.94 173.24 3jwg s ASP 35 N 0.81 5.89 -0.39 4.50 2.15 0.13 -1.45 116.67 128.30 3jwg s ASP 35 Ca -0.07 -1.10 -0.25 0.00 0.43 0.00 0.00 52.55 51.55 3jwg s ASP 35 Cb -0.16 -2.08 0.02 0.00 -0.30 0.00 0.00 42.92 40.40 3jwg s ASP 35 CO -0.02 -0.47 0.90 -0.76 -0.17 0.00 0.00 175.17 174.65 3jwg s LEU 36 N 1.58 4.02 0.00 -1.34 1.43 -0.41 -1.12 118.68 122.85 3jwg s LEU 36 Ca 0.03 0.41 0.00 0.00 -1.03 0.00 0.00 54.13 53.54 3jwg s LEU 36 Cb -0.21 -3.20 0.00 0.00 0.03 0.00 0.00 46.19 42.82 3jwg s LEU 36 CO 0.07 -0.89 0.00 0.61 0.23 0.00 0.00 176.35 176.37 3jwg n GLY 37 N 4.56 0.73 0.28 -3.19 0.00 0.20 -4.30 105.19 103.46 3jwg n GLY 37 Ca 0.06 -0.31 0.19 0.00 0.00 0.00 0.00 46.02 45.95 3jwg n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jwg n GLY 39 N -1.09 3.06 0.00 0.00 0.00 -1.26 -1.32 105.19 104.58 3jwg n GLY 39 Ca -0.02 -0.30 0.07 0.00 0.00 0.00 0.00 46.02 45.77 3jwg n GLY 39 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3jwg n GLU 40 N 14.00 0.72 -1.71 1.61 1.02 -1.26 -4.59 120.64 130.42 3jwg n GLU 40 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3jwg n GLU 40 Cb 0.00 -1.32 0.00 0.00 -0.02 0.00 0.00 31.44 30.10 3jwg n GLU 40 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3jwg n GLY 41 N 0.36 0.44 0.35 0.62 0.00 -0.43 -4.33 105.19 102.20 3jwg n GLY 41 Ca 0.11 -0.89 -0.01 0.00 0.00 0.00 0.00 46.02 45.24 3jwg n GLY 41 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3jwg h ASN 42 N 0.00 0.95 -0.19 1.61 2.35 -1.90 -1.10 115.58 117.31 3jwg h ASN 42 Ca 0.00 -0.04 -0.21 0.00 -0.55 0.00 0.00 56.30 55.50 3jwg h ASN 42 Cb 0.76 -0.24 0.01 0.00 0.05 0.00 0.00 38.32 38.90 3jwg h ASN 42 CO 0.00 0.71 -0.69 0.25 -1.65 0.00 0.00 177.43 176.05 3jwg h LEU 43 N 1.11 0.95 -0.67 1.61 5.85 -1.93 -3.15 115.31 119.08 3jwg h LEU 43 Ca 0.29 -0.58 0.09 0.00 0.84 0.00 0.00 57.88 58.53 3jwg h LEU 43 Cb -0.08 -0.28 -0.07 0.00 0.37 0.00 0.00 40.66 40.60 3jwg h LEU 43 CO -0.06 1.38 0.30 -0.07 -0.34 0.00 0.00 178.44 179.66 3jwg h LEU 44 N 0.59 0.37 -0.40 2.25 4.07 -1.74 -0.96 115.31 119.50 3jwg h LEU 44 Ca -0.03 0.07 0.05 0.00 0.08 0.00 0.00 57.88 58.05 3jwg h LEU 44 Cb 1.31 0.01 -0.05 0.00 1.08 0.00 0.00 40.66 43.02 3jwg h LEU 44 CO 0.15 0.21 0.13 0.28 -1.08 0.00 0.00 178.44 178.13 3jwg h SER 45 N 0.52 0.13 -0.39 -0.43 0.02 -1.19 -1.72 113.55 110.50 3jwg h SER 45 Ca 0.33 0.05 -0.08 0.00 -0.84 0.00 0.00 61.79 61.25 3jwg h SER 45 Cb 0.38 0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.93 3jwg h SER 45 CO -0.28 0.11 -0.02 -0.07 -1.14 0.00 0.00 176.83 175.42 3jwg h LEU 46 N 0.29 0.77 -0.72 5.07 3.38 -1.34 -2.93 115.31 119.83 3jwg h LEU 46 Ca 0.18 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 3jwg h LEU 46 Cb 0.17 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 3jwg h LEU 46 CO -0.19 0.85 0.18 -0.07 0.09 0.00 0.00 178.44 179.30 3jwg h LEU 47 N 0.74 1.09 -2.12 1.67 3.38 -0.75 -2.66 115.31 116.67 3jwg h LEU 47 Ca 0.14 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 3jwg h LEU 47 Cb 0.48 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 3jwg h LEU 47 CO 0.02 1.04 -0.07 -0.07 0.09 0.00 0.00 178.44 179.45 3jwg h LEU 48 N 1.10 0.00 0.00 1.67 3.38 -1.14 -1.84 115.31 118.47 3jwg h LEU 48 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 3jwg h LEU 48 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3jwg h LEU 48 CO 0.00 0.07 0.00 0.29 0.09 0.00 0.00 178.44 178.89 3jwg n LYS 49 N -3.55 0.06 -3.86 1.13 5.02 -1.00 -4.52 118.16 111.44 3jwg n LYS 49 Ca -0.02 0.05 -0.36 0.00 -2.02 0.00 0.00 58.31 55.96 3jwg n LYS 49 Cb 0.19 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.57 3jwg n LYS 49 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3jwg s ASP 50 N -2.93 5.02 0.24 4.39 -1.08 -0.69 -4.99 116.67 116.63 3jwg s ASP 50 Ca 0.15 -1.40 0.15 0.00 -0.52 0.00 0.00 52.55 50.92 3jwg s ASP 50 Cb 0.17 -1.76 0.80 0.00 -1.46 0.00 0.00 42.92 40.68 3jwg s ASP 50 CO 0.47 -0.32 1.43 2.29 0.52 0.00 0.00 175.17 179.55 3jwg n LYS 51 N 4.64 0.10 0.25 4.34 2.85 -1.26 -2.01 118.16 127.06 3jwg n LYS 51 Ca -0.11 0.58 0.13 0.00 -1.05 0.00 0.00 58.31 57.86 3jwg n LYS 51 Cb 0.43 -1.87 0.62 0.00 -0.65 0.00 0.00 35.03 33.56 3jwg n LYS 51 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3jwg h SER 52 N 0.00 0.00 -3.22 -5.58 4.64 -1.94 -3.40 113.55 104.05 3jwg h SER 52 Ca 0.00 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.73 3jwg h SER 52 Cb 0.11 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.09 3jwg h SER 52 CO 0.00 0.14 0.70 -0.36 -0.87 0.00 0.00 176.83 176.44 3jwg s PHE 53 N -3.83 2.74 0.08 4.77 0.08 -0.85 -4.64 117.98 116.33 3jwg s PHE 53 Ca -0.01 0.15 -0.11 0.00 0.12 0.00 0.00 56.93 57.08 3jwg s PHE 53 Cb 0.11 -4.21 -0.22 0.00 -0.57 0.00 0.00 43.02 38.13 3jwg s PHE 53 CO 0.59 -1.41 1.18 0.93 -0.10 0.00 0.00 175.22 176.41 3jwg h GLU 54 N 9.37 0.56 -4.27 0.44 5.08 -0.82 -3.44 114.58 121.50 3jwg h GLU 54 Ca -0.26 -0.68 -0.49 0.00 -1.00 0.00 0.00 59.36 56.94 3jwg h GLU 54 Cb 1.07 0.21 -0.35 0.00 0.50 0.00 0.00 28.75 30.18 3jwg h GLU 54 CO 1.12 1.28 -0.80 -1.14 -1.00 0.00 0.00 179.01 178.47 3jwg s GLN 55 N -3.12 1.37 -0.19 2.33 2.00 -0.90 -4.48 119.66 116.67 3jwg s GLN 55 Ca -0.08 -0.26 0.00 0.00 -2.00 0.00 0.00 55.36 53.03 3jwg s GLN 55 Cb 0.07 -1.30 0.04 0.00 0.80 0.00 0.00 33.01 32.62 3jwg s GLN 55 CO 0.91 -0.11 -0.09 0.42 -0.50 0.00 0.00 175.29 175.92 3jwg s ILE 56 N 1.13 1.49 -0.11 -2.34 1.01 0.20 -0.92 121.20 121.66 3jwg s ILE 56 Ca -0.06 -0.88 0.03 0.00 0.00 0.00 0.00 60.65 59.73 3jwg s ILE 56 Cb -0.14 -1.58 0.01 0.00 0.01 0.00 0.00 42.46 40.75 3jwg s ILE 56 CO -0.01 0.18 -0.19 -0.89 0.00 0.00 0.00 174.94 174.02 3jwg s THR 57 N 1.47 1.75 -0.11 2.92 2.01 -0.24 -0.84 115.64 122.60 3jwg s THR 57 Ca -0.00 -0.82 -0.01 0.00 0.31 0.00 0.00 61.69 61.17 3jwg s THR 57 Cb -0.16 -1.55 -0.03 0.00 0.01 0.00 0.00 72.50 70.77 3jwg s THR 57 CO -0.08 0.49 -0.07 -0.83 -0.69 0.00 0.00 174.62 173.44 3jwg s GLY 58 N 0.68 1.68 -0.03 4.40 0.00 0.28 0.21 107.32 114.54 3jwg s GLY 58 Ca -0.12 -0.86 0.04 0.00 0.00 0.00 0.00 44.72 43.78 3jwg s GLY 58 CO 0.03 -0.34 -0.15 0.14 0.00 0.00 0.00 173.10 172.78 3jwg s VAL 59 N -0.12 1.25 0.06 1.40 1.01 -0.27 -2.04 120.40 121.68 3jwg s VAL 59 Ca 0.01 -0.65 -0.05 0.00 0.00 0.00 0.00 61.98 61.30 3jwg s VAL 59 Cb -0.13 -1.06 -0.02 0.00 0.00 0.00 0.00 36.38 35.17 3jwg s VAL 59 CO 0.03 0.36 0.08 -0.62 0.00 0.00 0.00 175.10 174.94 3jwg s ASP 60 N -0.14 0.28 0.29 3.32 2.15 -1.14 0.59 116.67 122.01 3jwg s ASP 60 Ca 0.01 -0.75 0.16 0.00 0.43 0.00 0.00 52.55 52.41 3jwg s ASP 60 Cb -0.08 0.25 0.09 0.00 -0.30 0.00 0.00 42.92 42.87 3jwg s ASP 60 CO 0.01 -0.61 1.42 -0.37 -0.17 0.00 0.00 175.17 175.45 3jwg h VAL 61 N 3.19 0.71 -3.27 1.11 -1.51 -1.89 -0.97 116.25 113.61 3jwg h VAL 61 Ca -0.34 -2.01 -0.60 0.00 -1.23 0.00 0.00 66.70 62.52 3jwg h VAL 61 Cb 1.17 2.33 -0.13 0.00 -2.13 0.00 0.00 31.29 32.53 3jwg h VAL 61 CO 0.58 0.40 -0.50 -0.55 -1.23 0.00 0.00 177.57 176.27 3jwg s SER 62 N -6.36 6.13 0.11 4.19 0.15 -1.26 -4.67 113.70 111.99 3jwg s SER 62 Ca 0.04 0.21 -0.16 0.00 0.70 0.00 0.00 55.95 56.74 3jwg s SER 62 Cb 0.07 -2.07 -0.04 0.00 -1.71 0.00 0.00 66.02 62.27 3jwg s SER 62 CO 0.74 0.18 1.58 0.22 1.20 0.00 0.00 173.24 177.16 3jwg h TYR 63 N 6.67 0.62 -0.67 3.44 3.20 -2.00 -2.58 116.97 125.66 3jwg h TYR 63 Ca -0.40 -0.09 0.03 0.00 3.14 0.00 0.00 58.73 61.40 3jwg h TYR 63 Cb 1.15 -0.17 -0.04 0.00 1.54 0.00 0.00 36.73 39.21 3jwg h TYR 63 CO 0.58 0.66 0.41 1.03 -1.64 0.00 0.00 178.16 179.20 3jwg h SER 64 N 0.41 0.68 -0.09 -2.11 0.87 -1.99 -1.74 113.55 109.57 3jwg h SER 64 Ca 0.10 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.66 3jwg h SER 64 Cb 0.38 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 62.20 3jwg h SER 64 CO 0.01 0.47 0.05 0.58 -0.53 0.00 0.00 176.83 177.41 3jwg h VAL 65 N 0.81 1.10 -0.47 2.23 2.07 -1.92 -1.75 116.25 118.33 3jwg h VAL 65 Ca 0.27 -0.30 0.05 0.00 0.82 0.00 0.00 66.70 67.54 3jwg h VAL 65 Cb 0.03 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 3jwg h VAL 65 CO -0.11 0.09 0.31 -0.07 0.02 0.00 0.00 177.57 177.81 3jwg h LEU 66 N 0.04 0.39 -0.72 2.57 3.38 -1.21 0.21 115.31 119.96 3jwg h LEU 66 Ca 0.03 -0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.88 3jwg h LEU 66 Cb 0.10 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3jwg h LEU 66 CO -0.00 0.26 -0.34 -0.08 0.09 0.00 0.00 178.44 178.36 3jwg h GLU 67 N 0.44 0.59 -0.22 1.13 4.57 -0.90 -1.27 114.58 118.93 3jwg h GLU 67 Ca 0.20 -0.27 -0.18 0.00 -1.18 0.00 0.00 59.36 57.92 3jwg h GLU 67 Cb 0.22 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.80 3jwg h GLU 67 CO -0.05 0.85 -0.60 0.00 -1.18 0.00 0.00 179.01 178.03 3jwg h ARG 68 N 0.50 0.72 0.27 1.92 3.08 -0.14 -2.60 114.38 118.12 3jwg h ARG 68 Ca 0.05 -0.49 -0.01 0.00 0.07 0.00 0.00 59.98 59.60 3jwg h ARG 68 Cb 0.83 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.96 3jwg h ARG 68 CO 0.07 1.11 -0.13 0.00 -1.07 0.00 0.00 179.97 179.95 3jwg h ALA 69 N 0.78 -0.36 -0.26 0.04 0.00 -0.37 0.20 119.26 119.30 3jwg h ALA 69 Ca -0.00 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.84 3jwg h ALA 69 Cb 1.19 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 3jwg h ALA 69 CO 0.12 -0.69 0.17 1.57 0.00 0.00 0.00 179.25 180.43 3jwg h LYS 70 N -0.39 0.24 -0.08 0.00 2.10 -1.25 0.39 116.57 117.59 3jwg h LYS 70 Ca -0.04 -0.01 -0.19 0.00 -2.00 0.00 0.00 60.65 58.41 3jwg h LYS 70 Cb 0.29 -0.05 0.01 0.00 -0.90 0.00 0.00 32.23 31.58 3jwg h LYS 70 CO 0.06 0.16 -0.69 0.22 -2.00 0.00 0.00 179.45 177.20 3jwg h ASP 71 N 0.25 0.74 -0.01 7.07 3.58 -1.04 -1.75 116.42 125.25 3jwg h ASP 71 Ca 0.10 -0.68 -0.10 0.00 0.42 0.00 0.00 57.03 56.77 3jwg h ASP 71 Cb 0.11 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 40.93 3jwg h ASP 71 CO -0.02 1.31 -0.29 -0.09 -2.88 0.00 0.00 179.24 177.27 3jwg h ARG 72 N 0.23 0.45 0.00 0.28 2.43 0.38 -2.67 114.38 115.48 3jwg h ARG 72 Ca -0.06 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 58.92 3jwg h ARG 72 Cb 1.35 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.87 3jwg h ARG 72 CO 0.14 0.70 -0.17 1.28 -1.51 0.00 0.00 179.97 180.41 3jwg n LEU 73 N -4.10 0.36 -4.05 3.80 4.77 0.13 -4.93 117.00 112.98 3jwg n LEU 73 Ca -0.01 0.39 -0.33 0.00 -0.03 0.00 0.00 56.01 56.03 3jwg n LEU 73 Cb 0.43 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 3jwg n LEU 73 CO 0.42 -0.02 0.05 0.29 -1.33 0.00 0.00 177.39 176.80 3jwg n LYS 74 N -1.74 -4.53 -0.19 3.23 4.76 -0.67 -4.86 118.16 114.15 3jwg n LYS 74 Ca 0.06 0.50 -0.00 0.00 -2.87 0.00 0.00 58.31 56.00 3jwg n LYS 74 Cb 0.37 -5.32 0.10 0.00 -1.84 0.00 0.00 35.03 28.34 3jwg n LYS 74 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 3jwg h ILE 75 N -1.84 0.73 0.00 -0.18 2.04 -1.84 -1.61 117.51 114.81 3jwg h ILE 75 Ca -0.58 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.16 3jwg h ILE 75 Cb 1.38 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 37.82 3jwg h ILE 75 CO 0.72 0.06 0.00 -0.90 0.00 0.00 0.00 178.15 178.03 3jwg n ASP 76 N -5.04 0.00 0.00 1.72 5.68 -1.26 -1.58 116.55 116.06 3jwg n ASP 76 Ca 0.08 -0.65 0.00 0.00 -0.50 0.00 0.00 54.79 53.72 3jwg n ASP 76 Cb 0.28 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.26 3jwg n ASP 76 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3jwg n ARG 77 N -0.52 3.88 -2.00 0.11 1.74 -0.61 -5.06 116.66 114.20 3jwg n ARG 77 Ca 0.00 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.73 3jwg n ARG 77 Cb 0.00 -0.60 0.03 0.00 -1.02 0.00 0.00 32.46 30.87 3jwg n ARG 77 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3jwg s LEU 78 N -1.94 3.64 0.84 0.55 2.01 -0.62 -4.97 118.68 118.20 3jwg s LEU 78 Ca 0.00 2.35 -0.13 0.00 0.01 0.00 0.00 54.13 56.37 3jwg s LEU 78 Cb 0.00 -4.59 0.08 0.00 0.01 0.00 0.00 46.19 41.69 3jwg s LEU 78 CO 0.00 -1.60 1.07 -2.65 1.01 0.00 0.00 176.35 174.19 3jwg n PRO 79 N -1.65 0.03 -0.22 1.29 -0.02 -1.26 -4.61 135.00 128.55 3jwg n PRO 79 Ca 0.13 0.08 0.03 0.00 -2.02 0.00 0.00 63.50 61.73 3jwg n PRO 79 Cb 0.50 -2.33 0.14 0.00 -0.02 0.00 0.00 33.50 31.79 3jwg n PRO 79 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3jwg h GLU 80 N -1.11 0.25 -0.67 -0.52 4.81 -1.98 -0.55 114.58 114.81 3jwg h GLU 80 Ca -0.45 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 58.76 3jwg h GLU 80 Cb 1.30 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.59 3jwg h GLU 80 CO 0.44 0.17 0.40 0.00 -0.73 0.00 0.00 179.01 179.28 3jwg h MET 81 N 0.26 0.91 -0.05 1.92 -0.00 -2.00 -2.44 114.93 113.52 3jwg h MET 81 Ca 0.36 -0.08 -0.22 0.00 -0.00 0.00 0.00 59.70 59.76 3jwg h MET 81 Cb 0.57 -0.19 0.00 0.00 -0.00 0.00 0.00 31.60 31.98 3jwg h MET 81 CO -0.46 0.65 -0.86 1.96 -0.00 0.00 0.00 176.91 178.20 3jwg h GLN 82 N 0.93 0.52 -0.51 -0.10 1.08 -1.59 -3.21 115.11 112.23 3jwg h GLN 82 Ca 0.24 -0.49 -0.03 0.00 -1.45 0.00 0.00 58.65 56.93 3jwg h GLN 82 Cb -0.02 0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.50 3jwg h GLN 82 CO -0.04 1.12 0.20 -0.09 -0.95 0.00 0.00 178.83 179.07 3jwg h ARG 83 N 0.32 0.73 0.00 1.46 9.65 -0.78 -2.25 114.38 123.52 3jwg h ARG 83 Ca -0.07 -0.10 0.00 0.00 -1.10 0.00 0.00 59.98 58.71 3jwg h ARG 83 Cb 1.47 -0.13 0.00 0.00 -1.39 0.00 0.00 29.97 29.92 3jwg h ARG 83 CO 0.16 0.60 0.00 1.63 2.80 0.00 0.00 179.97 185.16 3jwg n LYS 84 N -4.35 0.14 0.09 0.20 5.02 -0.95 -2.85 118.16 115.46 3jwg n LYS 84 Ca 0.04 0.36 0.04 0.00 -2.02 0.00 0.00 58.31 56.74 3jwg n LYS 84 Cb 0.15 -1.76 -0.02 0.00 -0.02 0.00 0.00 35.03 33.39 3jwg n LYS 84 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3jwg h ARG 85 N 0.00 0.00 -6.44 1.97 3.08 -1.48 -3.47 114.38 108.03 3jwg h ARG 85 Ca 0.00 0.00 -0.68 0.00 0.07 0.00 0.00 59.98 59.37 3jwg h ARG 85 Cb 0.34 0.00 -0.21 0.00 0.08 0.00 0.00 29.97 30.18 3jwg h ARG 85 CO 0.00 0.24 -0.77 -1.50 -1.07 0.00 0.00 179.97 176.87 3jwg s ILE 86 N -3.07 3.08 0.00 2.04 2.07 -1.13 0.59 121.20 124.78 3jwg s ILE 86 Ca 0.00 -0.97 -0.02 0.00 -1.41 0.00 0.00 60.65 58.25 3jwg s ILE 86 Cb 0.08 -2.29 -0.01 0.00 0.13 0.00 0.00 42.46 40.38 3jwg s ILE 86 CO 0.78 0.41 0.02 -0.55 -1.91 0.00 0.00 174.94 173.69 3jwg s SER 87 N -1.28 0.09 -0.00 4.50 0.15 -0.02 -4.97 113.70 112.17 3jwg s SER 87 Ca 0.15 -0.21 0.01 0.00 0.70 0.00 0.00 55.95 56.59 3jwg s SER 87 Cb -0.11 0.11 -0.00 0.00 -1.71 0.00 0.00 66.02 64.31 3jwg s SER 87 CO 0.05 -0.19 -0.02 -0.76 1.20 0.00 0.00 173.24 173.52 3jwg s LEU 88 N -0.83 2.01 0.10 3.45 1.43 -1.26 -0.56 118.68 123.02 3jwg s LEU 88 Ca -0.09 -0.05 -0.22 0.00 -1.03 0.00 0.00 54.13 52.74 3jwg s LEU 88 Cb -0.06 -0.10 0.06 0.00 0.03 0.00 0.00 46.19 46.12 3jwg s LEU 88 CO -0.00 0.02 0.54 0.72 0.23 0.00 0.00 176.35 177.86 3jwg s PHE 89 N -0.07 -0.44 0.16 0.29 -0.12 -0.87 -4.98 117.98 111.94 3jwg s PHE 89 Ca 0.00 0.35 -0.14 0.00 -0.05 0.00 0.00 56.93 57.10 3jwg s PHE 89 Cb -0.01 0.42 -0.07 0.00 -0.63 0.00 0.00 43.02 42.73 3jwg s PHE 89 CO -0.00 -0.74 0.55 -1.14 -0.05 0.00 0.00 175.22 173.85 3jwg s GLN 90 N -3.14 3.96 -0.12 1.99 0.74 -1.26 -2.90 119.66 118.92 3jwg s GLN 90 Ca -0.02 0.47 -0.29 0.00 0.05 0.00 0.00 55.36 55.57 3jwg s GLN 90 Cb -0.00 -2.90 0.08 0.00 1.10 0.00 0.00 33.01 31.29 3jwg s GLN 90 CO -0.07 0.46 0.76 0.45 -0.55 0.00 0.00 175.29 176.34 3jwg s SER 91 N -1.78 -0.62 0.00 6.67 0.15 -0.37 -4.92 113.70 112.83 3jwg s SER 91 Ca 0.39 0.82 0.28 0.00 0.70 0.00 0.00 55.95 58.14 3jwg s SER 91 Cb -0.15 0.70 1.10 0.00 -1.71 0.00 0.00 66.02 65.96 3jwg s SER 91 CO 0.19 -0.47 1.79 -1.54 1.20 0.00 0.00 173.24 174.42 3jwg n SER 92 N 1.30 0.38 -3.64 5.45 3.41 -1.26 -3.18 113.62 116.09 3jwg n SER 92 Ca -0.16 -0.29 -0.24 0.00 -0.26 0.00 0.00 58.87 57.91 3jwg n SER 92 Cb 0.57 -0.10 0.07 0.00 -0.26 0.00 0.00 64.21 64.48 3jwg n SER 92 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3jwg n LEU 93 N -1.16 -3.32 0.00 1.04 4.77 -1.26 -4.87 117.00 112.20 3jwg n LEU 93 Ca 0.11 -0.58 0.00 0.00 -0.03 0.00 0.00 56.01 55.51 3jwg n LEU 93 Cb 0.30 -2.97 0.00 0.00 -2.33 0.00 0.00 43.42 38.42 3jwg n LEU 93 CO 0.26 0.61 -0.27 0.52 -1.33 0.00 0.00 177.39 177.19 3jwg n VAL 94 N -4.90 0.00 -4.17 4.08 0.31 -1.26 -4.08 118.33 108.31 3jwg n VAL 94 Ca -0.01 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.09 3jwg n VAL 94 Cb 0.56 -0.36 -0.06 0.00 -0.91 0.00 0.00 33.84 33.07 3jwg n VAL 94 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 3jwg s TYR 95 N -1.43 2.73 -0.69 3.52 2.02 -1.26 -4.86 117.35 117.39 3jwg s TYR 95 Ca 0.00 -0.31 -0.26 0.00 -0.37 0.00 0.00 57.07 56.13 3jwg s TYR 95 Cb 0.00 -1.48 -0.01 0.00 -0.40 0.00 0.00 41.96 40.07 3jwg s TYR 95 CO 0.00 0.44 1.75 0.50 -1.57 0.00 0.00 175.55 176.68 3jwg s ARG 96 N -3.79 2.75 -0.26 -0.62 6.06 -1.26 -4.96 118.95 116.87 3jwg s ARG 96 Ca 0.35 0.28 -0.10 0.00 -2.50 0.00 0.00 55.73 53.76 3jwg s ARG 96 Cb -0.04 -4.47 -0.05 0.00 0.06 0.00 0.00 34.95 30.45 3jwg s ARG 96 CO 0.22 -2.69 0.16 0.34 -2.50 0.00 0.00 175.30 170.82 3jwg s ASP 97 N 7.20 5.87 0.60 -2.12 3.68 -1.26 -4.96 116.67 125.68 3jwg s ASP 97 Ca 0.61 -0.02 0.29 0.00 2.13 0.00 0.00 52.55 55.56 3jwg s ASP 97 Cb -0.11 -2.08 1.53 0.00 -1.45 0.00 0.00 42.92 40.82 3jwg s ASP 97 CO 0.16 -0.02 1.94 0.11 0.13 0.00 0.00 175.17 177.49 3jwg h LYS 98 N 8.13 0.00 0.00 4.34 1.57 -2.00 0.22 116.57 128.83 3jwg h LYS 98 Ca -0.36 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.42 3jwg h LYS 98 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.49 3jwg h LYS 98 CO 0.58 0.00 0.00 0.54 -0.57 0.00 0.00 179.45 180.00 3jwg n ARG 99 N -3.64 0.35 0.06 3.15 1.74 -1.26 -2.33 116.66 114.73 3jwg n ARG 99 Ca 0.06 0.08 0.12 0.00 -0.77 0.00 0.00 57.85 57.34 3jwg n ARG 99 Cb 0.56 -1.50 0.11 0.00 -1.02 0.00 0.00 32.46 30.61 3jwg n ARG 99 CO 0.00 0.00 0.00 0.74 -1.52 0.00 0.00 177.63 176.85 3jwg h PHE 100 N 0.00 0.00 -4.12 -1.55 0.04 -1.34 -3.48 116.94 106.50 3jwg h PHE 100 Ca 0.00 0.00 -0.47 0.00 2.80 0.00 0.00 57.97 60.30 3jwg h PHE 100 Cb 0.13 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.30 3jwg h PHE 100 CO 0.00 0.00 0.38 -1.12 -0.60 0.00 0.00 178.31 176.97 3jwg s SER 101 N -4.40 6.33 0.00 2.17 0.01 -0.98 -4.34 113.70 112.49 3jwg s SER 101 Ca 0.05 1.82 0.00 0.00 1.31 0.00 0.00 55.95 59.13 3jwg s SER 101 Cb 0.13 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.81 3jwg s SER 101 CO 0.75 -0.79 0.00 0.61 0.41 0.00 0.00 173.24 174.22 3jwg n GLY 102 N -0.64 0.69 3.89 3.44 0.00 -1.26 -5.07 105.19 106.24 3jwg n GLY 102 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 3jwg n GLY 102 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3jwg s TYR 103 N -2.25 3.46 0.09 1.61 2.02 -1.26 -4.98 117.35 116.04 3jwg s TYR 103 Ca 0.00 0.76 0.05 0.00 -0.37 0.00 0.00 57.07 57.51 3jwg s TYR 103 Cb 0.00 -2.19 -0.23 0.00 -0.40 0.00 0.00 41.96 39.14 3jwg s TYR 103 CO 0.00 0.15 1.16 -0.44 -1.57 0.00 0.00 175.55 174.85 3jwg h ASP 104 N 1.83 0.08 -5.01 2.29 3.32 -1.24 -3.39 116.42 114.30 3jwg h ASP 104 Ca -0.47 -0.10 -0.09 0.00 0.02 0.00 0.00 57.03 56.39 3jwg h ASP 104 Cb 1.18 -0.03 -0.19 0.00 0.22 0.00 0.00 39.33 40.52 3jwg h ASP 104 CO 0.67 1.08 -0.13 0.00 -1.72 0.00 0.00 179.24 179.13 3jwg s ALA 105 N -2.68 -1.03 -0.03 3.45 0.00 -1.08 -2.33 121.76 118.06 3jwg s ALA 105 Ca -0.01 0.48 0.06 0.00 0.00 0.00 0.00 51.96 52.49 3jwg s ALA 105 Cb 0.09 0.17 -0.01 0.00 0.00 0.00 0.00 23.12 23.36 3jwg s ALA 105 CO 0.83 -0.35 -0.21 0.00 0.00 0.00 0.00 175.76 176.03 3jwg s ALA 106 N -1.75 1.78 -0.02 0.00 0.00 -0.61 -1.78 121.76 119.39 3jwg s ALA 106 Ca -0.10 -0.90 0.05 0.00 0.00 0.00 0.00 51.96 51.01 3jwg s ALA 106 Cb -0.03 -0.49 -0.03 0.00 0.00 0.00 0.00 23.12 22.58 3jwg s ALA 106 CO 0.03 0.41 -0.16 0.95 0.00 0.00 0.00 175.76 176.99 3jwg s THR 107 N -0.38 2.93 -0.33 0.00 -4.23 -0.53 -1.08 115.64 112.02 3jwg s THR 107 Ca 0.05 -0.90 -0.01 0.00 -1.18 0.00 0.00 61.69 59.64 3jwg s THR 107 Cb -0.09 -2.17 0.11 0.00 1.34 0.00 0.00 72.50 71.68 3jwg s THR 107 CO 0.00 0.50 0.14 -0.69 -0.54 0.00 0.00 174.62 174.03 3jwg s VAL 108 N -0.80 0.60 -0.12 2.29 1.01 0.55 -1.29 120.40 122.64 3jwg s VAL 108 Ca 0.13 -1.42 0.02 0.00 0.00 0.00 0.00 61.98 60.71 3jwg s VAL 108 Cb -0.11 -1.46 -0.00 0.00 0.00 0.00 0.00 36.38 34.81 3jwg s VAL 108 CO 0.02 -0.76 -0.19 -0.63 0.00 0.00 0.00 175.10 173.54 3jwg s ILE 109 N 1.51 2.42 -1.27 2.22 1.01 -1.26 -0.63 121.20 125.20 3jwg s ILE 109 Ca 0.12 -0.88 -0.02 0.00 0.00 0.00 0.00 60.65 59.87 3jwg s ILE 109 Cb -0.19 -1.97 -0.00 0.00 0.01 0.00 0.00 42.46 40.30 3jwg s ILE 109 CO -0.22 0.54 0.74 -0.62 0.00 0.00 0.00 174.94 175.38 3jwg n GLU 110 N 3.71 -4.60 0.07 2.79 1.02 -1.12 -4.91 120.64 117.60 3jwg n GLU 110 Ca -0.19 0.64 0.00 0.00 -0.02 0.00 0.00 57.16 57.59 3jwg n GLU 110 Cb 0.52 -5.18 0.00 0.00 -0.02 0.00 0.00 31.44 26.76 3jwg n GLU 110 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3jwg n VAL 111 N -4.20 0.83 -0.02 2.62 0.31 -1.26 -4.89 118.33 111.72 3jwg n VAL 111 Ca -0.27 0.27 0.09 0.00 -0.01 0.00 0.00 64.34 64.42 3jwg n VAL 111 Cb 0.67 -1.24 0.50 0.00 -0.91 0.00 0.00 33.84 32.85 3jwg n VAL 111 CO 0.00 0.00 0.00 0.16 -1.32 0.00 0.00 176.83 175.67 3jwg h ILE 112 N 0.00 0.97 0.00 2.52 3.07 -1.91 -1.23 117.51 120.93 3jwg h ILE 112 Ca 0.00 -0.14 0.00 0.00 1.55 0.00 0.00 64.86 66.27 3jwg h ILE 112 Cb 0.00 0.53 0.00 0.00 -0.27 0.00 0.00 36.82 37.08 3jwg h ILE 112 CO 0.00 0.07 0.00 -1.84 -1.05 0.00 0.00 178.15 175.33 3jwg n GLU 113 N -4.47 0.20 0.00 0.16 0.00 -1.26 -2.42 120.64 112.85 3jwg n GLU 113 Ca 0.06 0.15 0.08 0.00 0.00 0.00 0.00 57.16 57.45 3jwg n GLU 113 Cb 0.25 -1.50 0.03 0.00 0.00 0.00 0.00 31.44 30.22 3jwg n GLU 113 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 3jwg n HIS 114 N -1.30 0.00 -3.70 -1.84 8.25 -0.47 -4.70 115.22 111.46 3jwg n HIS 114 Ca 0.07 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.16 3jwg n HIS 114 Cb 0.13 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.17 3jwg n HIS 114 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3jwg s LEU 115 N -1.77 4.38 0.96 2.41 1.43 -1.01 -5.09 118.68 119.98 3jwg s LEU 115 Ca 0.16 0.61 -0.16 0.00 -1.03 0.00 0.00 54.13 53.71 3jwg s LEU 115 Cb 0.13 -2.28 0.19 0.00 0.03 0.00 0.00 46.19 44.27 3jwg s LEU 115 CO 0.32 0.32 1.28 1.51 0.23 0.00 0.00 176.35 180.01 3jwg s ASP 116 N -0.70 3.11 0.18 2.29 1.47 -1.26 -4.66 116.67 117.10 3jwg s ASP 116 Ca 0.17 0.40 -0.16 0.00 1.18 0.00 0.00 52.55 54.15 3jwg s ASP 116 Cb -0.14 -0.55 0.14 0.00 -0.34 0.00 0.00 42.92 42.04 3jwg s ASP 116 CO 0.06 -2.75 1.65 -0.08 0.68 0.00 0.00 175.17 174.74 3jwg h GLU 117 N -1.65 -0.02 -0.06 2.11 4.81 -1.99 0.32 114.58 118.10 3jwg h GLU 117 Ca -0.45 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.78 3jwg h GLU 117 Cb 1.26 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.64 3jwg h GLU 117 CO 0.42 -0.01 0.03 -0.97 -0.73 0.00 0.00 179.01 177.75 3jwg h ASN 118 N -0.02 0.08 -0.22 1.04 -1.24 -2.00 -2.05 115.58 111.17 3jwg h ASN 118 Ca 0.23 -0.14 -0.08 0.00 0.71 0.00 0.00 56.30 57.03 3jwg h ASN 118 Cb 0.37 -0.02 -0.02 0.00 0.73 0.00 0.00 38.32 39.38 3jwg h ASN 118 CO -0.51 0.19 -0.10 0.03 -1.29 0.00 0.00 177.43 175.76 3jwg h ARG 119 N -0.04 0.60 -0.27 6.67 3.08 -1.85 -1.85 114.38 120.72 3jwg h ARG 119 Ca 0.02 -0.18 -0.03 0.00 0.07 0.00 0.00 59.98 59.86 3jwg h ARG 119 Cb 0.14 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 3jwg h ARG 119 CO -0.00 0.70 0.05 1.25 -1.07 0.00 0.00 179.97 180.90 3jwg h LEU 120 N 0.55 0.43 -0.71 3.04 5.85 -0.85 0.15 115.31 123.76 3jwg h LEU 120 Ca 0.10 -0.25 -0.03 0.00 0.84 0.00 0.00 57.88 58.55 3jwg h LEU 120 Cb 0.51 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 3jwg h LEU 120 CO 0.03 0.57 0.34 1.56 -0.34 0.00 0.00 178.44 180.60 3jwg h GLN 121 N 0.27 1.03 -0.37 1.25 4.20 -1.22 0.58 115.11 120.84 3jwg h GLN 121 Ca 0.08 -0.15 -0.03 0.00 0.06 0.00 0.00 58.65 58.61 3jwg h GLN 121 Cb 0.32 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 3jwg h GLN 121 CO 0.00 0.81 0.12 0.00 -0.67 0.00 0.00 178.83 179.09 3jwg h ALA 122 N 1.17 0.49 -0.65 3.87 0.00 -1.16 -2.68 119.26 120.29 3jwg h ALA 122 Ca 0.25 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3jwg h ALA 122 Cb 0.12 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3jwg h ALA 122 CO -0.03 0.12 0.33 0.35 0.00 0.00 0.00 179.25 180.02 3jwg h PHE 123 N 0.45 0.90 -0.54 0.00 3.57 -0.28 -1.92 116.94 119.12 3jwg h PHE 123 Ca 0.12 -0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.62 3jwg h PHE 123 Cb 0.25 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 38.66 3jwg h PHE 123 CO 0.01 0.65 0.33 0.93 -2.23 0.00 0.00 178.31 178.00 3jwg h GLU 124 N 0.92 0.64 -0.04 1.11 5.08 -0.60 0.14 114.58 121.83 3jwg h GLU 124 Ca 0.23 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.55 3jwg h GLU 124 Cb 0.07 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 3jwg h GLU 124 CO -0.03 0.43 0.02 0.87 -1.00 0.00 0.00 179.01 179.29 3jwg h LYS 125 N 0.66 0.07 -0.84 2.33 1.57 -1.14 0.69 116.57 119.91 3jwg h LYS 125 Ca 0.21 -0.01 0.10 0.00 -1.87 0.00 0.00 60.65 59.08 3jwg h LYS 125 Cb 0.00 -0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.23 3jwg h LYS 125 CO -0.09 0.18 0.48 0.28 -0.57 0.00 0.00 179.45 179.73 3jwg h VAL 126 N -0.06 0.91 0.19 0.50 2.07 -0.96 0.22 116.25 119.12 3jwg h VAL 126 Ca 0.02 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 3jwg h VAL 126 Cb 0.13 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 29.94 3jwg h VAL 126 CO -0.00 0.15 -0.09 0.25 0.02 0.00 0.00 177.57 177.89 3jwg h LEU 127 N 0.81 -0.22 0.00 2.57 5.85 -0.46 0.20 115.31 124.05 3jwg h LEU 127 Ca 0.40 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.88 3jwg h LEU 127 Cb 0.37 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.46 3jwg h LEU 127 CO -0.25 0.32 -0.73 -0.26 -0.34 0.00 0.00 178.44 177.18 3jwg h PHE 128 N -0.96 0.00 0.00 1.25 0.04 -0.88 -0.74 116.94 115.65 3jwg h PHE 128 Ca -0.03 0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.52 3jwg h PHE 128 Cb 0.45 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.57 3jwg h PHE 128 CO 0.06 0.00 -1.77 -1.91 -0.60 0.00 0.00 178.31 174.09 3jwg n GLU 129 N -2.16 0.30 0.07 1.51 2.13 0.61 -4.23 120.64 118.87 3jwg n GLU 129 Ca 0.03 0.12 -0.04 0.00 0.66 0.00 0.00 57.16 57.92 3jwg n GLU 129 Cb 0.45 -1.06 -0.02 0.00 0.27 0.00 0.00 31.44 31.08 3jwg n GLU 129 CO 0.00 0.00 0.00 0.74 -0.41 0.00 0.00 177.13 177.46 3jwg h PHE 130 N -0.38 -0.24 0.01 4.31 0.05 -1.05 -3.38 116.94 116.26 3jwg h PHE 130 Ca -0.34 -0.01 -0.00 0.00 3.82 0.00 0.00 57.97 61.44 3jwg h PHE 130 Cb 1.35 0.08 0.00 0.00 2.00 0.00 0.00 35.95 39.37 3jwg h PHE 130 CO -0.03 -0.15 -0.00 1.15 -0.18 0.00 0.00 178.31 179.10 3jwg h THR 131 N -0.98 1.39 -7.01 -1.55 2.02 -0.69 -3.44 112.91 102.66 3jwg h THR 131 Ca -0.03 -1.20 -0.54 0.00 0.77 0.00 0.00 66.41 65.41 3jwg h THR 131 Cb 0.20 2.20 -0.02 0.00 -1.74 0.00 0.00 68.15 68.80 3jwg h THR 131 CO 0.04 0.31 -0.92 -1.14 0.37 0.00 0.00 175.52 174.18 3jwg n ARG 132 N -4.85 -0.32 -2.06 6.66 0.63 -0.28 -4.70 116.66 111.74 3jwg n ARG 132 Ca -0.09 0.02 -0.29 0.00 -0.92 0.00 0.00 57.85 56.58 3jwg n ARG 132 Cb 0.26 -2.08 0.05 0.00 0.45 0.00 0.00 32.46 31.14 3jwg n ARG 132 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 3jwg s PRO 133 N -7.16 2.67 0.36 -0.14 0.04 -1.26 -4.96 135.00 124.56 3jwg s PRO 133 Ca 0.43 0.21 0.04 0.00 0.04 0.00 0.00 61.00 61.71 3jwg s PRO 133 Cb -0.24 -2.10 0.70 0.00 0.04 0.00 0.00 34.50 32.90 3jwg s PRO 133 CO 0.88 -1.05 2.01 0.37 0.04 0.00 0.00 177.00 179.25 3jwg h GLN 134 N -0.58 0.76 -4.95 4.56 5.75 -1.66 -3.41 115.11 115.58 3jwg h GLN 134 Ca -0.45 -0.05 -0.48 0.00 -0.15 0.00 0.00 58.65 57.53 3jwg h GLN 134 Cb 1.27 -0.17 -0.30 0.00 1.07 0.00 0.00 27.48 29.35 3jwg h GLN 134 CO 0.63 0.50 -0.81 0.99 -2.65 0.00 0.00 178.83 177.49 3jwg s THR 135 N -5.67 1.03 -0.08 2.39 2.01 -0.99 -0.76 115.64 113.57 3jwg s THR 135 Ca -0.10 -0.51 0.03 0.00 0.31 0.00 0.00 61.69 61.42 3jwg s THR 135 Cb 0.18 -0.89 0.01 0.00 0.01 0.00 0.00 72.50 71.81 3jwg s THR 135 CO 0.76 0.31 -0.15 -0.69 -0.69 0.00 0.00 174.62 174.15 3jwg s VAL 136 N 0.02 1.40 -0.22 3.82 1.01 -0.02 -1.57 120.40 124.83 3jwg s VAL 136 Ca -0.01 -0.63 -0.01 0.00 0.00 0.00 0.00 61.98 61.34 3jwg s VAL 136 Cb -0.08 -1.25 0.02 0.00 0.00 0.00 0.00 36.38 35.06 3jwg s VAL 136 CO 0.01 0.41 -0.11 -0.63 0.00 0.00 0.00 175.10 174.78 3jwg s ILE 137 N 0.62 2.61 -0.17 2.22 1.01 -0.24 0.10 121.20 127.35 3jwg s ILE 137 Ca -0.15 -0.97 -0.01 0.00 0.00 0.00 0.00 60.65 59.52 3jwg s ILE 137 Cb -0.16 -2.26 -0.01 0.00 0.01 0.00 0.00 42.46 40.05 3jwg s ILE 137 CO 0.04 0.32 -0.12 -0.69 0.00 0.00 0.00 174.94 174.50 3jwg s VAL 138 N 1.32 2.93 -0.05 2.92 1.01 -0.46 -0.33 120.40 127.73 3jwg s VAL 138 Ca 0.02 -0.67 0.06 0.00 0.00 0.00 0.00 61.98 61.38 3jwg s VAL 138 Cb -0.15 -2.26 -0.01 0.00 0.00 0.00 0.00 36.38 33.95 3jwg s VAL 138 CO -0.07 0.49 -0.24 -0.55 0.00 0.00 0.00 175.10 174.73 3jwg s SER 139 N 0.90 2.93 0.01 3.32 0.15 0.20 -0.96 113.70 120.25 3jwg s SER 139 Ca -0.03 -0.49 -0.22 0.00 0.70 0.00 0.00 55.95 55.91 3jwg s SER 139 Cb -0.15 -0.80 0.05 0.00 -1.71 0.00 0.00 66.02 63.41 3jwg s SER 139 CO -0.01 0.23 0.50 0.28 1.20 0.00 0.00 173.24 175.44 3jwg s THR 140 N -0.14 0.03 0.66 6.45 -1.32 -0.69 -2.79 115.64 117.84 3jwg s THR 140 Ca -0.03 -0.27 -0.17 0.00 -1.21 0.00 0.00 61.69 60.00 3jwg s THR 140 Cb -0.13 -0.91 -0.00 0.00 -1.51 0.00 0.00 72.50 69.94 3jwg s THR 140 CO 0.03 -0.15 1.22 -2.65 -2.21 0.00 0.00 174.62 170.87 3jwg n PRO 141 N 0.70 0.95 -3.36 7.08 -0.02 -1.26 -0.98 135.00 138.12 3jwg n PRO 141 Ca -0.19 0.38 -0.44 0.00 -2.02 0.00 0.00 63.50 61.23 3jwg n PRO 141 Cb 0.59 -2.46 -0.08 0.00 -0.02 0.00 0.00 33.50 31.53 3jwg n PRO 141 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3jwg s ASN 142 N -1.45 6.16 0.37 2.55 2.47 -0.40 -4.13 114.94 120.51 3jwg s ASN 142 Ca 0.81 -1.24 0.10 0.00 0.42 0.00 0.00 52.86 52.95 3jwg s ASN 142 Cb -0.37 -2.20 0.85 0.00 -1.45 0.00 0.00 41.25 38.08 3jwg s ASN 142 CO 0.43 -0.67 1.89 0.50 -3.72 0.00 0.00 177.10 175.52 3jwg h LYS 143 N 8.78 0.63 -0.20 0.43 3.64 -1.31 -1.78 116.57 126.77 3jwg h LYS 143 Ca -0.28 -0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.12 3jwg h LYS 143 Cb 1.11 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.78 3jwg h LYS 143 CO 0.88 0.42 0.16 0.93 -2.27 0.00 0.00 179.45 179.57 3jwg h GLU 144 N 0.65 0.00 -0.50 1.90 5.08 -1.83 -1.51 114.58 118.37 3jwg h GLU 144 Ca 0.42 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.83 3jwg h GLU 144 Cb 0.69 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.91 3jwg h GLU 144 CO -0.17 0.00 0.33 -0.92 -1.00 0.00 0.00 179.01 177.25 3jwg h TYR 145 N 0.00 0.47 0.00 4.33 3.20 -1.29 -0.86 116.97 122.82 3jwg h TYR 145 Ca 0.09 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.98 3jwg h TYR 145 Cb 0.42 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.54 3jwg h TYR 145 CO 0.00 0.26 0.00 0.09 -1.64 0.00 0.00 178.16 176.87 3jwg n ASN 146 N -4.48 0.00 0.20 -2.11 4.13 -0.57 -3.27 115.26 109.17 3jwg n ASN 146 Ca 0.06 0.20 0.05 0.00 1.68 0.00 0.00 54.58 56.58 3jwg n ASN 146 Cb 0.21 -0.39 0.42 0.00 -1.54 0.00 0.00 39.78 38.48 3jwg n ASN 146 CO 0.00 0.00 0.00 -0.26 0.28 0.00 0.00 177.26 177.28 3jwg h PHE 147 N 0.00 0.00 -2.82 3.10 0.05 -1.26 -3.40 116.94 112.61 3jwg h PHE 147 Ca 0.00 0.00 -0.55 0.00 3.82 0.00 0.00 57.97 61.24 3jwg h PHE 147 Cb 0.35 0.00 -0.08 0.00 2.00 0.00 0.00 35.95 38.23 3jwg h PHE 147 CO 0.00 0.33 1.01 -1.58 -0.18 0.00 0.00 178.31 177.89 3jwg s HIS 148 N -4.00 2.46 0.12 -0.55 2.46 -1.20 -5.17 115.29 109.40 3jwg s HIS 148 Ca -0.02 0.21 -0.31 0.00 0.47 0.00 0.00 55.06 55.41 3jwg s HIS 148 Cb 0.13 -4.57 -0.09 0.00 -0.13 0.00 0.00 32.58 27.92 3jwg s HIS 148 CO 0.68 -1.81 1.60 -0.47 -2.47 0.00 0.00 174.74 172.28 3jwg s TYR 149 N 5.31 2.77 0.00 3.88 6.14 -1.26 -5.10 117.35 129.08 3jwg s TYR 149 Ca 0.39 0.50 0.00 0.00 0.64 0.00 0.00 57.07 58.60 3jwg s TYR 149 Cb -0.08 -3.93 0.00 0.00 0.42 0.00 0.00 41.96 38.37 3jwg s TYR 149 CO 0.21 -3.58 0.20 0.41 0.64 0.00 0.00 175.55 173.43 3jwg n GLY 155 N 3.86 -0.62 3.62 8.97 0.00 -1.26 -5.22 105.19 114.53 3jwg n GLY 155 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 3jwg n GLY 155 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3jwg n ASN 156 N 0.00 1.63 -0.21 1.61 5.15 -1.26 -4.77 115.26 117.41 3jwg n ASN 156 Ca 0.00 1.15 -0.00 0.00 -0.60 0.00 0.00 54.58 55.13 3jwg n ASN 156 Cb 0.36 -1.35 0.11 0.00 -0.53 0.00 0.00 39.78 38.37 3jwg n ASN 156 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 3jwg h LEU 157 N 2.02 0.27 -0.90 1.20 5.85 -2.04 -0.54 115.31 121.18 3jwg h LEU 157 Ca -0.42 0.07 -0.09 0.00 0.84 0.00 0.00 57.88 58.28 3jwg h LEU 157 Cb 1.33 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.38 3jwg h LEU 157 CO 0.60 0.16 -0.17 -0.09 -0.34 0.00 0.00 178.44 178.61 3jwg h ARG 158 N 0.45 0.63 0.00 1.25 2.43 -1.96 -2.35 114.38 114.82 3jwg h ARG 158 Ca 0.31 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 3jwg h ARG 158 Cb 0.36 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 3jwg h ARG 158 CO -0.29 0.76 0.00 0.72 -1.51 0.00 0.00 179.97 179.65 3jwg n HIS 159 N -4.15 0.36 1.11 2.20 8.25 -0.44 -2.22 115.22 120.32 3jwg n HIS 159 Ca 0.01 0.13 0.12 0.00 -0.26 0.00 0.00 57.72 57.71 3jwg n HIS 159 Cb 0.38 -0.70 0.28 0.00 1.12 0.00 0.00 29.99 31.07 3jwg n HIS 159 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3jwg n ARG 160 N -1.81 0.39 -2.90 -0.41 1.74 -0.34 -4.78 116.66 108.54 3jwg n ARG 160 Ca 0.04 -0.24 -0.43 0.00 -0.77 0.00 0.00 57.85 56.46 3jwg n ARG 160 Cb 0.26 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.16 3jwg n ARG 160 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3jwg s ASP 161 N -2.77 6.44 -0.06 0.55 2.15 -0.94 -4.89 116.67 117.14 3jwg s ASP 161 Ca 0.17 -0.04 0.12 0.00 0.43 0.00 0.00 52.55 53.23 3jwg s ASP 161 Cb 0.18 -2.41 0.37 0.00 -0.30 0.00 0.00 42.92 40.76 3jwg s ASP 161 CO 0.63 -0.98 1.30 1.41 -0.17 0.00 0.00 175.17 177.35 3jwg n HIS 162 N 6.92 0.60 0.29 -5.34 8.25 -1.26 -4.70 115.22 119.98 3jwg n HIS 162 Ca 0.04 -0.64 0.14 0.00 -0.26 0.00 0.00 57.72 57.00 3jwg n HIS 162 Cb 0.48 -0.13 0.86 0.00 1.12 0.00 0.00 29.99 32.32 3jwg n HIS 162 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3jwg h ARG 163 N 1.81 0.00 -0.08 -0.41 3.08 -1.98 -1.75 114.38 115.04 3jwg h ARG 163 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3jwg h ARG 163 Cb 0.97 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.02 3jwg h ARG 163 CO 0.08 0.02 0.00 1.19 -1.07 0.00 0.00 179.97 180.19 3jwg n PHE 164 N -3.87 0.09 -2.37 3.04 0.99 -1.26 -4.85 117.46 109.23 3jwg n PHE 164 Ca -0.03 -0.04 -0.32 0.00 -0.00 0.00 0.00 57.45 57.06 3jwg n PHE 164 Cb 0.11 0.00 -0.03 0.00 -1.00 0.00 0.00 39.48 38.56 3jwg n PHE 164 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.76 175.55 3jwg s GLU 165 N -1.91 3.89 0.06 -1.08 2.02 -0.66 -4.77 118.70 116.26 3jwg s GLU 165 Ca 0.36 0.89 -0.05 0.00 0.02 0.00 0.00 54.97 56.19 3jwg s GLU 165 Cb 0.19 -2.15 -0.05 0.00 0.10 0.00 0.00 34.13 32.22 3jwg s GLU 165 CO 0.30 -0.29 0.30 -1.58 0.02 0.00 0.00 175.26 174.01 3jwg s TRP 166 N -2.68 3.53 0.85 1.61 0.52 -1.26 -4.71 118.94 116.80 3jwg s TRP 166 Ca 0.58 0.51 -0.13 0.00 0.02 0.00 0.00 56.10 57.08 3jwg s TRP 166 Cb -0.10 -1.95 0.10 0.00 -1.15 0.00 0.00 33.47 30.37 3jwg s TRP 166 CO 0.34 0.55 1.19 0.95 0.02 0.00 0.00 176.95 180.00 3jwg s THR 167 N -1.46 2.00 0.27 2.01 -4.23 -1.26 -0.91 115.64 112.05 3jwg s THR 167 Ca 0.33 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 60.83 3jwg s THR 167 Cb -0.13 -2.96 0.12 0.00 1.34 0.00 0.00 72.50 70.87 3jwg s THR 167 CO 0.21 0.00 1.78 0.03 -0.54 0.00 0.00 174.62 176.10 3jwg h ARG 168 N -1.20 0.77 -0.51 3.99 3.08 -1.95 -1.23 114.38 117.33 3jwg h ARG 168 Ca -0.46 -0.20 -0.13 0.00 0.07 0.00 0.00 59.98 59.27 3jwg h ARG 168 Cb 1.32 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.26 3jwg h ARG 168 CO 0.62 0.77 -0.17 -0.22 -1.07 0.00 0.00 179.97 179.89 3jwg h LYS 169 N 0.72 1.01 -0.42 0.04 3.64 -1.99 -1.03 116.57 118.56 3jwg h LYS 169 Ca 0.14 -0.41 -0.05 0.00 -1.27 0.00 0.00 60.65 59.06 3jwg h LYS 169 Cb 0.42 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 3jwg h LYS 169 CO 0.02 1.10 0.06 0.93 -2.27 0.00 0.00 179.45 179.28 3jwg h GLU 170 N 0.88 0.69 -0.20 1.90 5.08 -1.86 -0.56 114.58 120.51 3jwg h GLU 170 Ca 0.12 -0.19 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 3jwg h GLU 170 Cb 0.75 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 3jwg h GLU 170 CO 0.06 0.74 -0.02 0.35 -1.00 0.00 0.00 179.01 179.13 3jwg h PHE 171 N 0.54 0.40 -0.53 4.33 3.57 -1.14 -1.78 116.94 122.35 3jwg h PHE 171 Ca 0.13 -0.08 -0.09 0.00 3.53 0.00 0.00 57.97 61.46 3jwg h PHE 171 Cb 0.39 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 3jwg h PHE 171 CO 0.03 0.59 -0.02 1.96 -2.23 0.00 0.00 178.31 178.64 3jwg h GLN 172 N 0.10 0.91 -0.40 1.11 4.20 -1.16 0.17 115.11 120.04 3jwg h GLN 172 Ca 0.05 -0.27 -0.02 0.00 0.06 0.00 0.00 58.65 58.47 3jwg h GLN 172 Cb 0.44 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.11 3jwg h GLN 172 CO 0.01 0.91 0.16 1.15 -0.67 0.00 0.00 178.83 180.40 3jwg h THR 173 N 0.84 1.20 -0.10 -0.54 2.02 -1.08 -0.20 112.91 115.04 3jwg h THR 173 Ca 0.15 -0.60 -0.00 0.00 0.77 0.00 0.00 66.41 66.73 3jwg h THR 173 Cb 0.52 0.85 -0.00 0.00 -1.74 0.00 0.00 68.15 67.78 3jwg h THR 173 CO 0.03 0.22 0.05 -0.25 0.37 0.00 0.00 175.52 175.93 3jwg h TRP 174 N 0.49 0.13 -0.25 3.16 7.01 -1.02 -2.28 115.95 123.20 3jwg h TRP 174 Ca 0.13 -0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.14 3jwg h TRP 174 Cb 0.19 -0.04 -0.02 0.00 -2.10 0.00 0.00 29.16 27.19 3jwg h TRP 174 CO -0.00 0.18 0.14 0.00 -2.79 0.00 0.00 178.44 175.98 3jwg h ALA 175 N 0.94 0.31 -0.83 2.65 0.00 -0.47 -1.73 119.26 120.13 3jwg h ALA 175 Ca 0.03 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.96 3jwg h ALA 175 Cb 0.10 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 3jwg h ALA 175 CO -0.00 -0.25 0.55 0.28 0.00 0.00 0.00 179.25 179.83 3jwg h VAL 176 N 0.30 1.19 -0.15 0.00 2.07 -0.99 -0.71 116.25 117.95 3jwg h VAL 176 Ca 0.10 -0.38 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 3jwg h VAL 176 Cb -0.00 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 29.76 3jwg h VAL 176 CO -0.05 0.20 -0.02 0.11 0.02 0.00 0.00 177.57 177.83 3jwg h LYS 177 N 1.10 0.28 -0.47 1.57 1.57 -1.16 -1.76 116.57 117.70 3jwg h LYS 177 Ca 0.31 -0.10 -0.10 0.00 -1.87 0.00 0.00 60.65 58.90 3jwg h LYS 177 Cb -0.09 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 3jwg h LYS 177 CO -0.08 0.54 -0.09 -0.39 -0.57 0.00 0.00 179.45 178.85 3jwg h VAL 178 N 0.00 1.26 -0.57 0.50 -1.51 -1.21 0.61 116.25 115.33 3jwg h VAL 178 Ca 0.04 -1.18 0.02 0.00 -1.23 0.00 0.00 66.70 64.35 3jwg h VAL 178 Cb 0.42 1.00 -0.03 0.00 -2.13 0.00 0.00 31.29 30.54 3jwg h VAL 178 CO 0.01 0.41 0.36 0.00 -1.23 0.00 0.00 177.57 177.12 3jwg h ALA 179 N 1.12 0.73 -0.31 5.19 0.00 -1.09 -0.06 119.26 124.85 3jwg h ALA 179 Ca 0.13 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 3jwg h ALA 179 Cb 0.59 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3jwg h ALA 179 CO 0.04 0.12 -0.07 1.49 0.00 0.00 0.00 179.25 180.83 3jwg h GLU 180 N 0.73 0.59 -0.29 0.00 4.22 -1.00 0.29 114.58 119.12 3jwg h GLU 180 Ca 0.22 -0.22 -0.03 0.00 0.08 0.00 0.00 59.36 59.41 3jwg h GLU 180 Cb -0.03 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 3jwg h GLU 180 CO -0.07 0.78 0.04 -0.22 -2.18 0.00 0.00 179.01 177.36 3jwg h LYS 181 N 0.37 0.42 -0.34 1.92 3.64 -0.47 -3.17 116.57 118.93 3jwg h LYS 181 Ca 0.08 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3jwg h LYS 181 Cb 0.55 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 3jwg h LYS 181 CO 0.03 0.42 0.00 0.66 -2.27 0.00 0.00 179.45 178.29 3jwg n TYR 182 N -4.35 0.45 -2.46 1.91 4.01 -0.07 -5.00 117.16 111.65 3jwg n TYR 182 Ca 0.01 -0.36 -0.03 0.00 -0.16 0.00 0.00 57.90 57.35 3jwg n TYR 182 Cb 0.19 -0.01 0.01 0.00 -0.31 0.00 0.00 39.34 39.21 3jwg n TYR 182 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3jwg n GLY 183 N 0.85 0.56 3.46 2.72 0.00 -0.59 -4.93 105.19 107.26 3jwg n GLY 183 Ca 0.14 -0.61 -0.24 0.00 0.00 0.00 0.00 46.02 45.30 3jwg n GLY 183 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3jwg s TYR 184 N -2.74 2.28 0.14 1.61 2.02 0.91 -0.55 117.35 121.02 3jwg s TYR 184 Ca 0.06 -0.34 0.07 0.00 -0.37 0.00 0.00 57.07 56.49 3jwg s TYR 184 Cb -0.03 -1.02 -0.04 0.00 -0.40 0.00 0.00 41.96 40.48 3jwg s TYR 184 CO 0.07 0.67 -0.03 -1.54 -1.57 0.00 0.00 175.55 173.15 3jwg s SER 185 N -3.34 4.70 0.02 2.29 1.04 -0.20 -4.10 113.70 114.10 3jwg s SER 185 Ca 0.28 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.35 3jwg s SER 185 Cb -0.05 -0.99 -0.02 0.00 0.10 0.00 0.00 66.02 65.06 3jwg s SER 185 CO 0.14 0.13 -0.03 0.54 0.98 0.00 0.00 173.24 175.00 3jwg s VAL 186 N -1.52 0.11 0.10 5.02 0.11 -1.26 -0.52 120.40 122.43 3jwg s VAL 186 Ca 0.25 -0.69 0.04 0.00 -2.93 0.00 0.00 61.98 58.66 3jwg s VAL 186 Cb -0.10 -0.22 -0.04 0.00 -1.53 0.00 0.00 36.38 34.50 3jwg s VAL 186 CO 0.17 -0.36 -0.11 0.00 -3.33 0.00 0.00 175.10 171.47 3jwg s ARG 187 N -1.09 0.85 0.08 1.54 1.70 -0.59 -4.96 118.95 116.48 3jwg s ARG 187 Ca -0.12 -1.14 0.07 0.00 -0.47 0.00 0.00 55.73 54.08 3jwg s ARG 187 Cb -0.07 -0.58 -0.04 0.00 -0.57 0.00 0.00 34.95 33.69 3jwg s ARG 187 CO -0.01 0.10 -0.14 -0.06 -1.08 0.00 0.00 175.30 174.11 3jwg s PHE 188 N -2.30 2.64 0.15 5.89 0.08 -1.26 -0.45 117.98 122.73 3jwg s PHE 188 Ca 0.05 -0.21 0.06 0.00 0.12 0.00 0.00 56.93 56.96 3jwg s PHE 188 Cb -0.04 -1.43 -0.04 0.00 -0.57 0.00 0.00 43.02 40.95 3jwg s PHE 188 CO 0.00 0.37 -0.14 -0.51 -0.10 0.00 0.00 175.22 174.84 3jwg s LEU 189 N -1.93 2.45 -0.32 -0.37 1.02 0.52 -5.00 118.68 115.05 3jwg s LEU 189 Ca 0.18 -0.88 -0.00 0.00 0.02 0.00 0.00 54.13 53.45 3jwg s LEU 189 Cb -0.11 -0.60 0.07 0.00 0.02 0.00 0.00 46.19 45.57 3jwg s LEU 189 CO 0.10 -0.15 0.02 -1.10 0.02 0.00 0.00 176.35 175.24 3jwg s GLN 190 N -2.98 2.22 -0.08 1.70 -0.21 -1.26 -2.02 119.66 117.01 3jwg s GLN 190 Ca 0.13 -1.44 -0.19 0.00 0.02 0.00 0.00 55.36 53.88 3jwg s GLN 190 Cb -0.03 -3.20 -0.04 0.00 1.00 0.00 0.00 33.01 30.73 3jwg s GLN 190 CO 0.04 -0.72 0.51 0.42 -2.12 0.00 0.00 175.29 173.41 3jwg s ILE 191 N 1.17 5.12 0.00 1.08 1.09 -0.99 -4.92 121.20 123.75 3jwg s ILE 191 Ca -0.02 1.03 0.00 0.00 -1.10 0.00 0.00 60.65 60.56 3jwg s ILE 191 Cb -0.20 -3.84 0.00 0.00 -1.06 0.00 0.00 42.46 37.36 3jwg s ILE 191 CO -0.03 0.36 0.00 0.61 -0.10 0.00 0.00 174.94 175.78 3jwg n GLY 192 N 2.98 0.47 3.75 6.18 0.00 -1.26 -3.20 105.19 114.12 3jwg n GLY 192 Ca -0.07 -1.85 -0.41 0.00 0.00 0.00 0.00 46.02 43.69 3jwg n GLY 192 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3jwg s GLU 193 N -2.09 4.44 0.01 1.61 -1.05 -1.26 -4.82 118.70 115.53 3jwg s GLU 193 Ca 0.00 2.06 -0.29 0.00 -0.15 0.00 0.00 54.97 56.59 3jwg s GLU 193 Cb 0.00 -3.15 -0.04 0.00 -0.44 0.00 0.00 34.13 30.51 3jwg s GLU 193 CO 0.00 -0.11 0.94 0.42 0.95 0.00 0.00 175.26 177.45 3jwg s ILE 194 N -0.68 4.83 -1.01 1.83 1.01 -1.26 -4.32 121.20 121.60 3jwg s ILE 194 Ca 0.51 1.97 -0.01 0.00 0.00 0.00 0.00 60.65 63.12 3jwg s ILE 194 Cb -0.37 -4.28 0.32 0.00 0.01 0.00 0.00 42.46 38.14 3jwg s ILE 194 CO 0.45 0.20 1.87 -0.67 0.00 0.00 0.00 174.94 176.79 3jwg n ASP 195 N 3.68 7.40 0.00 3.58 2.03 -0.31 -4.93 116.55 128.00 3jwg n ASP 195 Ca 0.04 -3.70 0.00 0.00 0.52 0.00 0.00 54.79 51.66 3jwg n ASP 195 Cb 0.51 -1.16 0.00 0.00 -0.72 0.00 0.00 41.12 39.75 3jwg n ASP 195 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 3jwg n ASP 196 N -0.08 0.00 0.07 1.67 8.00 -1.26 -1.72 116.55 123.22 3jwg n ASP 196 Ca 0.48 0.00 0.10 0.00 0.71 0.00 0.00 54.79 56.08 3jwg n ASP 196 Cb 0.26 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.30 3jwg n ASP 196 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 3jwg n GLU 197 N 0.00 0.62 0.00 -1.24 0.28 -1.26 -4.10 120.64 114.95 3jwg n GLU 197 Ca 0.00 0.04 0.13 0.00 -0.16 0.00 0.00 57.16 57.17 3jwg n GLU 197 Cb 0.00 -1.74 0.50 0.00 1.43 0.00 0.00 31.44 31.63 3jwg n GLU 197 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 3jwg n PHE 198 N -2.58 0.00 -4.22 -1.84 3.01 -0.70 -5.04 117.46 106.09 3jwg n PHE 198 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.44 3jwg n PHE 198 Cb 0.58 -0.37 0.00 0.00 -0.01 0.00 0.00 39.48 39.68 3jwg n PHE 198 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3jwg n GLY 199 N 1.47 -1.51 3.96 1.37 0.00 -1.25 -3.24 105.19 105.98 3jwg n GLY 199 Ca 0.08 -1.28 -0.23 0.00 0.00 0.00 0.00 46.02 44.58 3jwg n GLY 199 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3jwg s SER 200 N -4.00 5.57 0.45 1.61 1.04 -1.26 -1.16 113.70 115.96 3jwg s SER 200 Ca 0.00 0.23 0.20 0.00 0.48 0.00 0.00 55.95 56.86 3jwg s SER 200 Cb 0.00 -1.30 1.08 0.00 0.10 0.00 0.00 66.02 65.90 3jwg s SER 200 CO 0.00 -0.93 1.96 -0.65 0.98 0.00 0.00 173.24 174.60 3jwg h PRO 201 N 0.19 0.00 -5.42 4.02 0.11 -1.77 -3.41 132.00 125.72 3jwg h PRO 201 Ca -0.45 0.00 -0.44 0.00 0.11 0.00 0.00 66.00 65.22 3jwg h PRO 201 Cb 1.27 0.00 -0.23 0.00 0.11 0.00 0.00 31.00 32.15 3jwg h PRO 201 CO 0.56 0.22 -0.79 0.99 -0.21 0.00 0.00 178.00 178.77 3jwg s THR 202 N -4.26 1.17 0.05 -1.15 2.01 -1.19 -1.28 115.64 111.00 3jwg s THR 202 Ca -0.03 -1.19 0.07 0.00 0.31 0.00 0.00 61.69 60.85 3jwg s THR 202 Cb 0.14 -1.09 -0.03 0.00 0.01 0.00 0.00 72.50 71.53 3jwg s THR 202 CO 0.66 -0.10 -0.20 0.00 -0.69 0.00 0.00 174.62 174.29 3jwg s GLN 203 N -1.48 1.29 -0.01 4.92 -2.07 -0.15 -2.34 119.66 119.82 3jwg s GLN 203 Ca 0.00 -0.96 0.01 0.00 -1.82 0.00 0.00 55.36 52.60 3jwg s GLN 203 Cb -0.09 -1.42 0.00 0.00 -1.09 0.00 0.00 33.01 30.41 3jwg s GLN 203 CO 0.02 0.36 -0.03 1.41 -1.32 0.00 0.00 175.29 175.73 3jwg s MET 204 N -1.30 0.32 -0.12 9.60 1.75 -0.86 -1.71 119.30 126.98 3jwg s MET 204 Ca 0.07 -0.10 0.01 0.00 -1.25 0.00 0.00 55.69 54.42 3jwg s MET 204 Cb -0.09 -0.34 -0.01 0.00 2.84 0.00 0.00 34.83 37.24 3jwg s MET 204 CO 0.02 0.04 -0.17 0.20 -0.65 0.00 0.00 175.02 174.46 3jwg s GLY 205 N 0.12 1.46 -0.28 2.11 0.00 -0.13 -0.36 107.32 110.24 3jwg s GLY 205 Ca -0.01 -0.94 -0.05 0.00 0.00 0.00 0.00 44.72 43.71 3jwg s GLY 205 CO -0.00 -0.20 0.03 0.14 0.00 0.00 0.00 173.10 173.07 3jwg s VAL 206 N 0.43 3.66 -0.14 1.40 1.01 0.40 -1.35 120.40 125.81 3jwg s VAL 206 Ca -0.13 -0.74 -0.08 0.00 0.00 0.00 0.00 61.98 61.03 3jwg s VAL 206 Cb -0.16 -2.86 -0.04 0.00 0.00 0.00 0.00 36.38 33.32 3jwg s VAL 206 CO 0.06 0.15 0.14 -0.36 0.00 0.00 0.00 175.10 175.08 3jwg s PHE 207 N 1.46 3.54 -0.11 5.22 0.08 0.12 -1.54 117.98 126.75 3jwg s PHE 207 Ca 0.02 0.47 0.02 0.00 0.12 0.00 0.00 56.93 57.56 3jwg s PHE 207 Cb -0.17 -2.00 0.01 0.00 -0.57 0.00 0.00 43.02 40.29 3jwg s PHE 207 CO 0.00 0.61 -0.18 0.99 -0.10 0.00 0.00 175.22 176.54 3jwg s THR 208 N -0.62 1.66 0.20 0.64 2.01 0.32 -0.84 115.64 119.02 3jwg s THR 208 Ca 0.13 -0.75 -0.32 0.00 0.31 0.00 0.00 61.69 61.05 3jwg s THR 208 Cb -0.12 -1.49 -0.12 0.00 0.01 0.00 0.00 72.50 70.78 3jwg s THR 208 CO 0.02 0.47 1.73 -0.11 -0.69 0.00 0.00 174.62 176.04 3jwg n LEU 209 N 4.02 3.95 0.00 4.42 7.94 0.06 -1.04 117.00 136.35 3jwg n LEU 209 Ca -0.20 1.06 0.00 0.00 -1.11 0.00 0.00 56.01 55.76 3jwg n LEU 209 Cb 0.52 -1.56 0.00 0.00 0.53 0.00 0.00 43.42 42.90 3jwg n LEU 209 CO 0.25 0.15 0.00 0.61 -1.11 0.00 0.00 177.39 177.30 3jwg n GLY 210 N 3.96 2.56 0.76 -3.96 0.00 0.29 -4.86 105.19 103.94 3jwg n GLY 210 Ca 0.16 -1.91 0.10 0.00 0.00 0.00 0.00 46.02 44.37 3jwg n GLY 210 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32