#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fjg s LEU 2 N 0.00 4.27 0.17 -0.89 1.43 -1.26 -4.91 118.68 117.49 1fjg s LEU 2 Ca 0.00 -0.18 -0.14 0.00 -1.03 0.00 0.00 54.13 52.78 1fjg s LEU 2 Cb 0.00 -2.92 0.06 0.00 0.03 0.00 0.00 46.19 43.36 1fjg s LEU 2 CO 0.00 -0.96 1.80 0.71 0.23 0.00 0.00 176.35 178.13 1fjg h THR 3 N 5.98 1.17 -2.74 5.49 1.35 -2.06 -3.39 112.91 118.71 1fjg h THR 3 Ca -0.25 -0.40 -0.56 0.00 -0.55 0.00 0.00 66.41 64.65 1fjg h THR 3 Cb 1.08 0.45 -0.40 0.00 -1.73 0.00 0.00 68.15 67.56 1fjg h THR 3 CO 0.98 0.18 -0.80 -0.62 -0.25 0.00 0.00 175.52 175.00 1fjg s ASP 4 N -5.80 3.35 0.33 5.36 2.15 -1.26 -4.96 116.67 115.84 1fjg s ASP 4 Ca -0.13 -1.74 0.06 0.00 0.43 0.00 0.00 52.55 51.17 1fjg s ASP 4 Cb 0.12 -0.44 0.71 0.00 -0.30 0.00 0.00 42.92 43.01 1fjg s ASP 4 CO 0.76 -0.38 1.87 -0.65 -0.17 0.00 0.00 175.17 176.60 1fjg h PRO 5 N 7.74 0.80 -0.01 4.34 0.11 -1.99 -0.56 132.00 142.42 1fjg h PRO 5 Ca -0.08 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.98 1fjg h PRO 5 Cb 0.99 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 31.92 1fjg h PRO 5 CO 0.37 0.53 0.00 0.82 -0.21 0.00 0.00 178.00 179.51 1fjg h ILE 6 N 0.82 1.21 -0.85 4.15 1.08 -1.98 -0.81 117.51 121.13 1fjg h ILE 6 Ca 0.44 -0.63 0.02 0.00 -0.39 0.00 0.00 64.86 64.30 1fjg h ILE 6 Cb 0.55 1.62 -0.05 0.00 -3.07 0.00 0.00 36.82 35.87 1fjg h ILE 6 CO -0.20 0.17 0.56 0.00 -0.69 0.00 0.00 178.15 177.98 1fjg h ALA 7 N 0.74 1.44 0.58 1.87 0.00 -1.85 -1.18 119.26 120.87 1fjg h ALA 7 Ca 0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1fjg h ALA 7 Cb 0.27 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1fjg h ALA 7 CO 0.00 0.49 -0.48 0.22 0.00 0.00 0.00 179.25 179.48 1fjg h ASP 8 N 1.09 -1.27 -0.97 0.00 3.58 -0.64 -1.79 116.42 116.43 1fjg h ASP 8 Ca 0.33 0.09 0.17 0.00 0.42 0.00 0.00 57.03 58.03 1fjg h ASP 8 Cb -0.04 0.40 -0.10 0.00 1.72 0.00 0.00 39.33 41.32 1fjg h ASP 8 CO -0.09 -0.66 0.57 -0.03 -2.88 0.00 0.00 179.24 176.15 1fjg h MET 9 N -1.03 0.75 -0.21 0.28 4.05 -0.73 0.72 114.93 118.77 1fjg h MET 9 Ca -0.08 -0.05 -0.05 0.00 -0.28 0.00 0.00 59.70 59.25 1fjg h MET 9 Cb 0.86 -0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 31.48 1fjg h MET 9 CO -0.00 0.50 -0.08 -0.07 0.23 0.00 0.00 176.91 177.49 1fjg h LEU 10 N 0.77 0.30 0.13 3.39 3.38 -0.94 -1.81 115.31 120.54 1fjg h LEU 10 Ca 0.54 -0.06 -0.29 0.00 0.09 0.00 0.00 57.88 58.16 1fjg h LEU 10 Cb 0.77 -0.08 0.03 0.00 0.09 0.00 0.00 40.66 41.47 1fjg h LEU 10 CO -0.36 0.43 -1.22 0.74 0.09 0.00 0.00 178.44 178.12 1fjg h THR 11 N 0.31 1.30 -0.28 0.22 2.02 -0.05 0.26 112.91 116.69 1fjg h THR 11 Ca 0.07 -2.46 0.04 0.00 0.77 0.00 0.00 66.41 64.83 1fjg h THR 11 Cb 0.34 2.74 -0.04 0.00 -1.74 0.00 0.00 68.15 69.45 1fjg h THR 11 CO 0.02 0.75 0.02 0.03 0.37 0.00 0.00 175.52 176.70 1fjg h ARG 12 N 0.22 0.11 -0.03 6.66 3.08 -0.87 0.82 114.38 124.38 1fjg h ARG 12 Ca -0.19 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 59.86 1fjg h ARG 12 Cb 1.90 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.92 1fjg h ARG 12 CO 0.23 0.07 -0.03 0.82 -1.07 0.00 0.00 179.97 180.00 1fjg h ILE 13 N 0.11 0.92 -0.13 2.04 2.04 -1.33 0.24 117.51 121.39 1fjg h ILE 13 Ca 0.13 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.03 1fjg h ILE 13 Cb 0.16 0.92 -0.05 0.00 -0.74 0.00 0.00 36.82 37.11 1fjg h ILE 13 CO -0.20 0.00 -0.15 -0.09 0.00 0.00 0.00 178.15 177.71 1fjg h ARG 14 N -0.04 -0.18 -0.32 2.37 2.43 0.42 -1.22 114.38 117.84 1fjg h ARG 14 Ca 0.02 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 1fjg h ARG 14 Cb 0.07 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 1fjg h ARG 14 CO -0.05 -0.12 0.18 -0.91 -1.51 0.00 0.00 179.97 177.56 1fjg h ASN 15 N -0.18 0.40 -0.85 -3.80 2.35 0.97 -2.69 115.58 111.79 1fjg h ASN 15 Ca 0.10 -0.08 0.01 0.00 -0.55 0.00 0.00 56.30 55.77 1fjg h ASN 15 Cb 0.32 -0.10 -0.04 0.00 0.05 0.00 0.00 38.32 38.55 1fjg h ASN 15 CO -0.24 0.37 0.56 0.00 -1.65 0.00 0.00 177.43 176.46 1fjg h ALA 16 N 1.05 1.07 0.00 -0.83 0.00 -0.27 -2.48 119.26 117.81 1fjg h ALA 16 Ca 0.11 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1fjg h ALA 16 Cb 0.05 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 1fjg h ALA 16 CO -0.02 0.48 -0.11 1.79 0.00 0.00 0.00 179.25 181.39 1fjg h THR 17 N 1.15 0.27 0.00 0.00 1.35 -1.12 -0.80 112.91 113.76 1fjg h THR 17 Ca 0.31 -0.87 0.00 0.00 -0.55 0.00 0.00 66.41 65.30 1fjg h THR 17 Cb -0.13 1.69 0.00 0.00 -1.73 0.00 0.00 68.15 67.98 1fjg h THR 17 CO -0.07 0.11 0.00 0.03 -0.25 0.00 0.00 175.52 175.34 1fjg h ARG 18 N 0.00 0.00 -0.10 4.72 -0.00 -1.10 -2.60 114.38 115.29 1fjg h ARG 18 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 1fjg h ARG 18 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.65 1fjg h ARG 18 CO 0.01 0.00 0.00 1.33 0.00 0.00 0.00 179.97 181.31 1fjg n VAL 19 N -2.48 0.65 -2.76 2.04 0.24 -1.05 -5.01 118.33 109.95 1fjg n VAL 19 Ca 0.03 -0.82 -0.17 0.00 -2.04 0.00 0.00 64.34 61.34 1fjg n VAL 19 Cb 0.36 0.71 0.02 0.00 -1.47 0.00 0.00 33.84 33.46 1fjg n VAL 19 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1fjg n TYR 20 N 0.07 -1.39 -0.57 6.34 4.01 -0.67 -5.00 117.16 119.95 1fjg n TYR 20 Ca 0.04 0.34 -0.30 0.00 -0.16 0.00 0.00 57.90 57.83 1fjg n TYR 20 Cb 0.26 -3.62 0.22 0.00 -0.31 0.00 0.00 39.34 35.88 1fjg n TYR 20 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1fjg n LYS 21 N -3.14 -1.79 -0.12 -0.72 4.76 -0.40 -4.96 118.16 111.79 1fjg n LYS 21 Ca -0.10 -0.49 -0.22 0.00 -2.87 0.00 0.00 58.31 54.63 1fjg n LYS 21 Cb 0.60 -2.11 -0.08 0.00 -1.84 0.00 0.00 35.03 31.60 1fjg n LYS 21 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1fjg n GLU 22 N -4.11 0.56 -0.62 1.97 2.13 -1.26 -4.76 120.64 114.54 1fjg n GLU 22 Ca 0.05 0.32 0.00 0.00 0.66 0.00 0.00 57.16 58.19 1fjg n GLU 22 Cb 0.55 -1.54 0.00 0.00 0.27 0.00 0.00 31.44 30.72 1fjg n GLU 22 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1fjg n SER 23 N -4.35 0.43 0.00 4.31 2.88 -1.26 -0.92 113.62 114.71 1fjg n SER 23 Ca -0.39 -0.51 0.00 0.00 -1.33 0.00 0.00 58.87 56.64 1fjg n SER 23 Cb 0.73 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.19 1fjg n SER 23 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1fjg n THR 24 N -0.40 0.00 -3.85 2.46 5.66 -1.17 -4.76 114.28 112.21 1fjg n THR 24 Ca 0.00 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.64 1fjg n THR 24 Cb 0.00 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 68.72 1fjg n THR 24 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1fjg s ASP 25 N 0.00 6.42 -0.02 1.09 1.11 -1.26 -0.41 116.67 123.60 1fjg s ASP 25 Ca 0.00 0.47 0.00 0.00 0.18 0.00 0.00 52.55 53.21 1fjg s ASP 25 Cb 0.00 -2.06 0.03 0.00 1.07 0.00 0.00 42.92 41.95 1fjg s ASP 25 CO 0.00 0.35 0.01 0.54 1.18 0.00 0.00 175.17 177.25 1fjg s VAL 26 N -1.14 0.05 0.09 -1.27 0.11 -1.21 -4.93 120.40 112.10 1fjg s VAL 26 Ca 0.20 0.14 -0.36 0.00 -2.93 0.00 0.00 61.98 59.03 1fjg s VAL 26 Cb -0.13 -0.16 -0.17 0.00 -1.53 0.00 0.00 36.38 34.40 1fjg s VAL 26 CO 0.10 0.11 1.31 -2.65 -3.33 0.00 0.00 175.10 170.64 1fjg n PRO 27 N 4.08 1.10 -2.19 1.54 -0.02 -1.26 -0.82 135.00 137.43 1fjg n PRO 27 Ca -0.27 0.40 -0.41 0.00 -2.02 0.00 0.00 63.50 61.20 1fjg n PRO 27 Cb 0.51 -2.02 -0.03 0.00 -0.02 0.00 0.00 33.50 31.94 1fjg n PRO 27 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1fjg s ALA 28 N 0.40 3.51 -0.27 3.55 0.00 0.22 -4.78 121.76 124.38 1fjg s ALA 28 Ca 0.84 1.16 -0.21 0.00 0.00 0.00 0.00 51.96 53.75 1fjg s ALA 28 Cb -0.96 -3.47 0.08 0.00 0.00 0.00 0.00 23.12 18.77 1fjg s ALA 28 CO 0.48 -0.55 0.71 -1.54 0.00 0.00 0.00 175.76 174.86 1fjg s SER 29 N -0.18 -0.82 0.14 0.00 1.04 -1.26 -4.94 113.70 107.67 1fjg s SER 29 Ca 0.52 1.47 -0.32 0.00 0.48 0.00 0.00 55.95 58.10 1fjg s SER 29 Cb -0.38 1.43 -0.08 0.00 0.10 0.00 0.00 66.02 67.09 1fjg s SER 29 CO 0.45 -0.24 1.55 0.03 0.98 0.00 0.00 173.24 176.01 1fjg h ARG 30 N 5.78 -0.38 -0.71 4.02 2.47 -1.99 0.12 114.38 123.69 1fjg h ARG 30 Ca -0.29 0.03 0.16 0.00 -1.26 0.00 0.00 59.98 58.61 1fjg h ARG 30 Cb 1.19 0.09 -0.11 0.00 -1.65 0.00 0.00 29.97 29.48 1fjg h ARG 30 CO 0.09 -0.25 0.09 0.35 0.56 0.00 0.00 179.97 180.81 1fjg h PHE 31 N -0.39 0.12 -0.13 3.04 3.57 -1.99 0.25 116.94 121.40 1fjg h PHE 31 Ca 0.09 0.05 0.03 0.00 3.53 0.00 0.00 57.97 61.66 1fjg h PHE 31 Cb 0.60 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.37 1fjg h PHE 31 CO -0.70 -0.15 -0.03 0.87 -2.23 0.00 0.00 178.31 176.07 1fjg h LYS 32 N 0.18 -0.00 -0.75 1.11 1.57 -1.39 -0.95 116.57 116.34 1fjg h LYS 32 Ca 0.40 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 59.26 1fjg h LYS 32 Cb 0.68 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.94 1fjg h LYS 32 CO -0.56 -0.00 0.49 1.49 -0.57 0.00 0.00 179.45 180.31 1fjg h GLU 33 N -0.00 0.70 0.37 3.15 4.81 0.17 -0.05 114.58 123.74 1fjg h GLU 33 Ca 0.07 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 1fjg h GLU 33 Cb 0.10 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.33 1fjg h GLU 33 CO -0.14 0.47 -0.18 0.93 -0.73 0.00 0.00 179.01 179.36 1fjg h GLU 34 N 0.73 -0.48 -0.26 1.92 4.39 0.61 -0.98 114.58 120.49 1fjg h GLU 34 Ca 0.34 0.03 0.05 0.00 0.34 0.00 0.00 59.36 60.12 1fjg h GLU 34 Cb 0.37 0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 29.08 1fjg h GLU 34 CO -0.12 -0.29 -0.05 0.82 -1.16 0.00 0.00 179.01 178.20 1fjg h ILE 35 N -0.55 0.75 -0.69 3.13 2.04 -0.56 -2.16 117.51 119.47 1fjg h ILE 35 Ca -0.05 -0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.93 1fjg h ILE 35 Cb 0.41 0.74 -0.09 0.00 -0.74 0.00 0.00 36.82 37.14 1fjg h ILE 35 CO 0.08 0.00 0.25 -0.07 0.00 0.00 0.00 178.15 178.42 1fjg h LEU 36 N 0.01 0.22 -1.15 1.44 3.38 -0.82 -0.07 115.31 118.32 1fjg h LEU 36 Ca 0.13 0.10 0.17 0.00 0.09 0.00 0.00 57.88 58.36 1fjg h LEU 36 Cb 0.19 0.09 -0.09 0.00 0.09 0.00 0.00 40.66 40.94 1fjg h LEU 36 CO -0.26 0.10 0.61 -0.09 0.09 0.00 0.00 178.44 178.89 1fjg h ARG 37 N 0.40 0.73 -0.09 1.13 2.43 -0.50 0.10 114.38 118.58 1fjg h ARG 37 Ca 0.37 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.47 1fjg h ARG 37 Cb 0.53 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.91 1fjg h ARG 37 CO -0.38 0.48 -0.03 0.82 -1.51 0.00 0.00 179.97 179.35 1fjg h ILE 38 N 0.75 1.31 -0.74 1.20 5.03 -0.96 -1.05 117.51 123.04 1fjg h ILE 38 Ca 0.51 -1.01 0.16 0.00 -0.12 0.00 0.00 64.86 64.40 1fjg h ILE 38 Cb 0.81 1.80 -0.11 0.00 -3.03 0.00 0.00 36.82 36.29 1fjg h ILE 38 CO -0.28 0.28 0.18 -0.07 -0.68 0.00 0.00 178.15 177.59 1fjg h LEU 39 N -0.17 0.02 0.61 1.44 -0.00 -0.04 0.33 115.31 117.50 1fjg h LEU 39 Ca 0.02 0.15 -0.03 0.00 -0.00 0.00 0.00 57.88 58.02 1fjg h LEU 39 Cb 0.47 0.20 0.01 0.00 -0.00 0.00 0.00 40.66 41.33 1fjg h LEU 39 CO 0.01 -0.04 -0.29 0.00 -0.00 0.00 0.00 178.44 178.12 1fjg h ALA 40 N 1.61 -1.01 -0.93 1.53 0.00 -0.81 0.80 119.26 120.46 1fjg h ALA 40 Ca 0.42 -0.18 0.27 0.00 0.00 0.00 0.00 54.91 55.42 1fjg h ALA 40 Cb 0.72 0.32 -0.15 0.00 0.00 0.00 0.00 17.79 18.68 1fjg h ALA 40 CO -0.51 -0.95 0.33 -0.09 0.00 0.00 0.00 179.25 178.02 1fjg h ARG 41 N -0.98 0.21 0.00 0.00 2.43 -0.63 1.65 114.38 117.05 1fjg h ARG 41 Ca -0.08 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 1fjg h ARG 41 Cb 0.63 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 1fjg h ARG 41 CO 0.14 0.14 0.00 0.39 -1.51 0.00 0.00 179.97 179.12 1fjg n GLU 42 N -5.20 0.71 -2.02 0.20 -0.58 0.11 -4.87 120.64 109.00 1fjg n GLU 42 Ca 0.25 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.90 1fjg n GLU 42 Cb 0.81 -1.50 -0.01 0.00 -0.57 0.00 0.00 31.44 30.17 1fjg n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1fjg n GLY 43 N 0.49 0.18 0.11 0.62 0.00 0.56 -4.92 105.19 102.24 1fjg n GLY 43 Ca 0.17 -0.52 0.06 0.00 0.00 0.00 0.00 46.02 45.74 1fjg n GLY 43 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1fjg h PHE 44 N 0.00 0.00 -3.71 1.61 0.04 -0.98 -3.47 116.94 110.43 1fjg h PHE 44 Ca -0.22 0.00 -0.30 0.00 2.80 0.00 0.00 57.97 60.25 1fjg h PHE 44 Cb 1.06 0.00 -0.15 0.00 2.20 0.00 0.00 35.95 39.07 1fjg h PHE 44 CO 0.25 0.28 -0.66 0.96 -0.60 0.00 0.00 178.31 178.54 1fjg s ILE 45 N -3.15 0.72 0.15 -0.55 -4.36 -1.21 -4.49 121.20 108.31 1fjg s ILE 45 Ca -0.01 -1.99 0.18 0.00 -0.26 0.00 0.00 60.65 58.57 1fjg s ILE 45 Cb 0.09 -2.17 0.12 0.00 1.25 0.00 0.00 42.46 41.75 1fjg s ILE 45 CO 0.80 -0.44 1.70 0.11 0.24 0.00 0.00 174.94 177.35 1fjg h LYS 46 N 2.65 0.00 0.00 0.37 1.57 0.87 -3.43 116.57 118.61 1fjg h LYS 46 Ca -0.37 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 1fjg h LYS 46 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1fjg h LYS 46 CO 0.63 0.40 0.00 0.41 -0.57 0.00 0.00 179.45 180.32 1fjg n GLY 47 N 0.33 0.41 3.68 3.86 0.00 -1.20 -4.99 105.19 107.28 1fjg n GLY 47 Ca -0.00 -1.69 -0.09 0.00 0.00 0.00 0.00 46.02 44.23 1fjg n GLY 47 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1fjg s TYR 48 N -2.59 0.30 -0.19 1.61 -0.85 -1.26 -0.75 117.35 113.62 1fjg s TYR 48 Ca 0.00 -0.72 -0.25 0.00 -0.52 0.00 0.00 57.07 55.58 1fjg s TYR 48 Cb 0.00 0.39 0.06 0.00 0.38 0.00 0.00 41.96 42.79 1fjg s TYR 48 CO 0.00 -1.18 0.66 -1.83 -1.52 0.00 0.00 175.55 171.68 1fjg s GLU 49 N -3.53 0.84 0.12 -3.49 -1.05 -0.55 -4.96 118.70 106.08 1fjg s GLU 49 Ca 0.20 0.73 -0.31 0.00 -0.15 0.00 0.00 54.97 55.44 1fjg s GLU 49 Cb -0.03 0.41 -0.08 0.00 -0.44 0.00 0.00 34.13 33.99 1fjg s GLU 49 CO 0.11 -0.15 1.33 1.03 0.95 0.00 0.00 175.26 178.52 1fjg s ARG 50 N -0.08 4.36 0.05 -4.83 0.52 -1.26 -1.18 118.95 116.54 1fjg s ARG 50 Ca -0.03 2.00 -0.00 0.00 -0.52 0.00 0.00 55.73 57.18 1fjg s ARG 50 Cb -0.04 -3.26 -0.04 0.00 0.52 0.00 0.00 34.95 32.14 1fjg s ARG 50 CO 0.03 -0.35 -0.04 0.08 0.02 0.00 0.00 175.30 175.04 1fjg s VAL 51 N 0.87 0.31 -0.12 3.52 1.01 -1.06 -4.92 120.40 120.02 1fjg s VAL 51 Ca 0.61 -1.66 -0.02 0.00 0.00 0.00 0.00 61.98 60.92 1fjg s VAL 51 Cb -0.35 -1.31 -0.03 0.00 0.00 0.00 0.00 36.38 34.69 1fjg s VAL 51 CO 0.32 -0.87 -0.04 -1.81 0.00 0.00 0.00 175.10 172.70 1fjg s ASP 52 N -2.65 4.86 -0.06 3.32 1.11 -1.26 -0.94 116.67 121.04 1fjg s ASP 52 Ca 0.04 -0.04 0.01 0.00 0.18 0.00 0.00 52.55 52.74 1fjg s ASP 52 Cb 0.04 -1.55 0.02 0.00 1.07 0.00 0.00 42.92 42.50 1fjg s ASP 52 CO -0.07 0.27 -0.07 -0.69 1.18 0.00 0.00 175.17 175.79 1fjg s VAL 53 N -0.24 0.77 -1.11 -1.27 1.01 0.19 -4.74 120.40 115.02 1fjg s VAL 53 Ca 0.04 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 61.78 1fjg s VAL 53 Cb -0.13 -0.77 0.00 0.00 0.00 0.00 0.00 36.38 35.49 1fjg s VAL 53 CO 0.02 0.28 0.00 -0.67 0.00 0.00 0.00 175.10 174.74 1fjg n ASP 54 N 4.13 -3.52 0.00 3.32 2.03 -1.26 0.10 116.55 121.35 1fjg n ASP 54 Ca -0.22 0.24 0.00 0.00 0.52 0.00 0.00 54.79 55.33 1fjg n ASP 54 Cb 0.51 -3.12 0.00 0.00 -0.72 0.00 0.00 41.12 37.79 1fjg n ASP 54 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1fjg n GLY 55 N -0.57 1.11 3.62 0.27 0.00 -1.26 -5.04 105.19 103.33 1fjg n GLY 55 Ca -0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 1fjg n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fjg s LYS 56 N -0.37 2.39 -0.09 1.61 3.01 0.28 -5.07 119.74 121.51 1fjg s LYS 56 Ca 0.00 -0.88 -0.30 0.00 -1.01 0.00 0.00 55.97 53.78 1fjg s LYS 56 Cb 0.00 -2.44 -0.03 0.00 -1.01 0.00 0.00 37.83 34.34 1fjg s LYS 56 CO 0.00 0.54 1.34 -1.25 0.51 0.00 0.00 175.35 176.50 1fjg s PRO 57 N -2.07 4.26 0.15 -1.68 0.04 -1.26 0.53 135.00 134.98 1fjg s PRO 57 Ca 0.22 1.82 0.01 0.00 0.04 0.00 0.00 61.00 63.09 1fjg s PRO 57 Cb -0.11 -3.71 -0.00 0.00 0.04 0.00 0.00 34.50 30.72 1fjg s PRO 57 CO 0.14 -0.64 0.03 0.66 0.04 0.00 0.00 177.00 177.23 1fjg n TYR 58 N 6.09 0.20 -3.57 0.56 4.02 -0.12 -0.61 117.16 123.73 1fjg n TYR 58 Ca 0.14 -0.85 -0.28 0.00 -0.01 0.00 0.00 57.90 56.89 1fjg n TYR 58 Cb 0.44 -0.05 -0.16 0.00 -0.02 0.00 0.00 39.34 39.56 1fjg n TYR 58 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1fjg s LEU 59 N 0.00 0.61 0.06 7.72 1.43 0.00 -2.55 118.68 125.95 1fjg s LEU 59 Ca 0.04 -1.13 -0.31 0.00 -1.03 0.00 0.00 54.13 51.70 1fjg s LEU 59 Cb 0.00 -0.36 -0.08 0.00 0.03 0.00 0.00 46.19 45.78 1fjg s LEU 59 CO 0.03 -0.41 1.73 -0.13 0.23 0.00 0.00 176.35 177.79 1fjg s ARG 60 N 2.08 4.18 -0.36 1.70 1.81 -0.32 -3.29 118.95 124.75 1fjg s ARG 60 Ca 0.07 2.40 -0.07 0.00 -1.72 0.00 0.00 55.73 56.42 1fjg s ARG 60 Cb -0.16 -3.71 0.05 0.00 -0.45 0.00 0.00 34.95 30.68 1fjg s ARG 60 CO -0.29 -0.80 0.14 0.08 -0.68 0.00 0.00 175.30 173.75 1fjg s VAL 61 N 3.03 3.84 -0.63 3.52 1.01 0.46 -1.49 120.40 130.14 1fjg s VAL 61 Ca 0.77 -1.22 -0.28 0.00 0.00 0.00 0.00 61.98 61.25 1fjg s VAL 61 Cb -0.41 -3.23 0.03 0.00 0.00 0.00 0.00 36.38 32.77 1fjg s VAL 61 CO 0.34 -0.26 1.27 -0.31 0.00 0.00 0.00 175.10 176.14 1fjg s TYR 62 N 1.39 2.43 0.81 5.22 2.02 0.08 -3.06 117.35 126.23 1fjg s TYR 62 Ca -0.00 0.29 -0.12 0.00 -0.37 0.00 0.00 57.07 56.87 1fjg s TYR 62 Cb -0.20 -4.52 0.08 0.00 -0.40 0.00 0.00 41.96 36.91 1fjg s TYR 62 CO 0.02 -1.83 1.10 -0.51 -1.57 0.00 0.00 175.55 172.77 1fjg s LEU 63 N 5.48 2.53 -0.08 -1.29 1.02 -0.09 0.13 118.68 126.38 1fjg s LEU 63 Ca 0.43 1.23 -0.15 0.00 0.02 0.00 0.00 54.13 55.66 1fjg s LEU 63 Cb -0.08 -3.82 0.03 0.00 0.02 0.00 0.00 46.19 42.34 1fjg s LEU 63 CO 0.22 -2.01 0.37 -1.59 0.02 0.00 0.00 176.35 173.36 1fjg s LYS 64 N -5.20 0.59 0.37 1.70 -2.85 -1.26 -4.41 119.74 108.68 1fjg s LYS 64 Ca 0.61 0.19 0.04 0.00 -1.00 0.00 0.00 55.97 55.81 1fjg s LYS 64 Cb -0.14 0.27 -0.04 0.00 -2.06 0.00 0.00 37.83 35.86 1fjg s LYS 64 CO 0.54 -0.13 0.11 0.71 0.10 0.00 0.00 175.35 176.68 1fjg s TYR 65 N -0.57 1.79 0.00 1.78 1.51 -1.26 -4.00 117.35 116.60 1fjg s TYR 65 Ca -0.07 -1.21 0.00 0.00 -1.01 0.00 0.00 57.07 54.78 1fjg s TYR 65 Cb -0.04 -1.14 0.00 0.00 -0.11 0.00 0.00 41.96 40.68 1fjg s TYR 65 CO 0.03 -0.25 0.00 0.41 -1.11 0.00 0.00 175.55 174.63 1fjg n GLY 66 N -0.79 -1.41 3.95 0.71 0.00 0.80 -4.88 105.19 103.58 1fjg n GLY 66 Ca -0.04 -1.58 -0.24 0.00 0.00 0.00 0.00 46.02 44.17 1fjg n GLY 66 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1fjg s PRO 67 N -1.67 2.44 0.65 1.61 0.04 -1.26 -4.60 135.00 132.21 1fjg s PRO 67 Ca 0.00 -0.49 -0.18 0.00 0.04 0.00 0.00 61.00 60.37 1fjg s PRO 67 Cb 0.00 -2.34 -0.01 0.00 0.04 0.00 0.00 34.50 32.19 1fjg s PRO 67 CO 0.00 -0.92 1.28 -2.13 0.04 0.00 0.00 177.00 175.27 1fjg n ARG 68 N -2.59 1.10 -3.05 4.56 0.63 -1.26 -3.93 116.66 112.11 1fjg n ARG 68 Ca 0.07 0.43 -0.17 0.00 -0.92 0.00 0.00 57.85 57.27 1fjg n ARG 68 Cb 0.60 -2.51 -0.00 0.00 0.45 0.00 0.00 32.46 30.99 1fjg n ARG 68 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1fjg n ARG 69 N -1.87 1.00 -3.41 -0.14 1.74 0.15 -4.92 116.66 109.20 1fjg n ARG 69 Ca 0.16 -2.20 -0.22 0.00 -0.77 0.00 0.00 57.85 54.82 1fjg n ARG 69 Cb 0.48 0.28 0.02 0.00 -1.02 0.00 0.00 32.46 32.22 1fjg n ARG 69 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1fjg s GLN 70 N -3.40 2.35 2.35 5.56 -1.52 -1.26 -4.61 119.66 119.13 1fjg s GLN 70 Ca 0.18 -1.74 0.00 0.00 -1.95 0.00 0.00 55.36 51.85 1fjg s GLN 70 Cb -0.01 -2.42 0.00 0.00 -0.22 0.00 0.00 33.01 30.36 1fjg s GLN 70 CO 0.11 -0.64 0.00 0.41 -0.25 0.00 0.00 175.29 174.92 1fjg n GLY 71 N -1.95 0.86 3.77 3.09 0.00 -1.26 -4.48 105.19 105.22 1fjg n GLY 71 Ca 0.07 -0.79 -0.34 0.00 0.00 0.00 0.00 46.02 44.96 1fjg n GLY 71 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1fjg s PRO 72 N 0.00 3.06 -0.43 1.61 0.04 -1.26 -4.14 135.00 133.88 1fjg s PRO 72 Ca 0.00 1.57 -0.23 0.00 0.04 0.00 0.00 61.00 62.38 1fjg s PRO 72 Cb 0.00 -1.97 0.03 0.00 0.04 0.00 0.00 34.50 32.60 1fjg s PRO 72 CO 0.00 -1.08 0.61 -3.47 0.04 0.00 0.00 177.00 173.11 1fjg n ASP 73 N -1.79 -7.20 -0.64 6.66 4.64 -1.26 -4.82 116.55 112.14 1fjg n ASP 73 Ca 0.11 0.33 0.02 0.00 -1.38 0.00 0.00 54.79 53.88 1fjg n ASP 73 Cb 0.51 -4.23 0.10 0.00 -1.04 0.00 0.00 41.12 36.45 1fjg n ASP 73 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 1fjg n PRO 74 N -0.25 1.77 -1.73 -0.67 -0.04 -1.26 -4.76 135.00 128.06 1fjg n PRO 74 Ca 0.05 -0.78 -0.42 0.00 -0.04 0.00 0.00 63.50 62.32 1fjg n PRO 74 Cb 0.53 -1.46 -0.02 0.00 -0.04 0.00 0.00 33.50 32.51 1fjg n PRO 74 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1fjg n ARG 75 N 0.12 2.70 -1.26 0.54 1.74 -1.26 -0.68 116.66 118.57 1fjg n ARG 75 Ca 0.07 0.97 -0.36 0.00 -0.77 0.00 0.00 57.85 57.75 1fjg n ARG 75 Cb 0.35 -2.77 0.06 0.00 -1.02 0.00 0.00 32.46 29.08 1fjg n ARG 75 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1fjg n PRO 76 N 2.94 0.28 -2.08 5.56 -0.02 -1.26 -4.50 135.00 135.93 1fjg n PRO 76 Ca 0.12 0.13 -0.32 0.00 -2.02 0.00 0.00 63.50 61.41 1fjg n PRO 76 Cb 0.36 -1.76 -0.00 0.00 -0.02 0.00 0.00 33.50 32.08 1fjg n PRO 76 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1fjg s GLU 77 N -2.63 3.54 0.42 -0.52 2.12 -1.25 -4.79 118.70 115.59 1fjg s GLU 77 Ca 0.64 1.01 -0.11 0.00 0.36 0.00 0.00 54.97 56.87 1fjg s GLU 77 Cb -0.35 -2.07 -0.06 0.00 0.26 0.00 0.00 34.13 31.90 1fjg s GLU 77 CO 0.59 -0.62 0.80 -0.65 -0.54 0.00 0.00 175.26 174.84 1fjg s GLN 78 N -4.39 3.78 -0.16 4.30 -1.52 -1.26 -0.14 119.66 120.28 1fjg s GLN 78 Ca 0.60 0.51 -0.05 0.00 -1.95 0.00 0.00 55.36 54.46 1fjg s GLN 78 Cb -0.13 -2.36 -0.24 0.00 -0.22 0.00 0.00 33.01 30.07 1fjg s GLN 78 CO 0.40 -0.08 0.21 0.28 -0.25 0.00 0.00 175.29 175.85 1fjg n VAL 79 N -1.40 1.70 -3.22 1.09 0.31 -1.26 -4.53 118.33 111.03 1fjg n VAL 79 Ca 0.03 -0.61 -0.46 0.00 -0.01 0.00 0.00 64.34 63.29 1fjg n VAL 79 Cb 0.54 -1.68 -0.03 0.00 -0.91 0.00 0.00 33.84 31.76 1fjg n VAL 79 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1fjg s ILE 80 N -2.54 5.29 0.05 2.52 1.01 -1.26 -4.88 121.20 121.39 1fjg s ILE 80 Ca -0.26 -1.99 -0.16 0.00 0.00 0.00 0.00 60.65 58.24 1fjg s ILE 80 Cb 0.07 -4.52 -0.20 0.00 0.01 0.00 0.00 42.46 37.82 1fjg s ILE 80 CO 0.72 -1.12 1.21 0.45 0.00 0.00 0.00 174.94 176.20 1fjg h HIS 81 N 8.30 0.84 -3.83 3.97 3.86 -0.99 -3.46 115.15 123.84 1fjg h HIS 81 Ca 0.02 -0.40 -0.28 0.00 -1.16 0.00 0.00 60.37 58.55 1fjg h HIS 81 Cb 1.05 -0.12 -0.28 0.00 1.06 0.00 0.00 27.41 29.12 1fjg h HIS 81 CO 1.00 1.21 -0.74 -1.58 0.86 0.00 0.00 177.93 178.69 1fjg s HIS 82 N -3.52 0.26 -0.28 2.45 5.65 -0.71 -4.99 115.29 114.14 1fjg s HIS 82 Ca -0.12 -0.05 -0.00 0.00 0.25 0.00 0.00 55.06 55.14 1fjg s HIS 82 Cb 0.06 -0.17 0.17 0.00 -1.18 0.00 0.00 32.58 31.47 1fjg s HIS 82 CO 0.86 -0.01 0.51 -1.50 -0.65 0.00 0.00 174.74 173.96 1fjg s ILE 83 N -0.08 -0.84 -0.02 0.89 2.07 -1.26 -0.42 121.20 121.54 1fjg s ILE 83 Ca 0.01 -0.05 0.01 0.00 -1.41 0.00 0.00 60.65 59.22 1fjg s ILE 83 Cb -0.01 -0.94 0.01 0.00 0.13 0.00 0.00 42.46 41.65 1fjg s ILE 83 CO -0.00 -0.06 -0.05 -0.60 -1.91 0.00 0.00 174.94 172.31 1fjg s ARG 84 N 2.73 0.61 0.33 3.50 3.52 -0.64 -4.92 118.95 124.08 1fjg s ARG 84 Ca 0.16 -0.15 -0.28 0.00 -0.13 0.00 0.00 55.73 55.33 1fjg s ARG 84 Cb -0.14 -0.61 -0.10 0.00 -1.56 0.00 0.00 34.95 32.54 1fjg s ARG 84 CO -0.21 0.03 1.23 1.03 -0.81 0.00 0.00 175.30 176.57 1fjg s ARG 85 N 0.35 4.36 0.00 5.12 0.52 -1.26 -1.76 118.95 126.28 1fjg s ARG 85 Ca -0.04 2.04 0.00 0.00 -0.52 0.00 0.00 55.73 57.21 1fjg s ARG 85 Cb -0.08 -3.02 0.00 0.00 0.52 0.00 0.00 34.95 32.37 1fjg s ARG 85 CO -0.00 -0.11 0.00 -0.89 0.02 0.00 0.00 175.30 174.31 1fjg n ILE 86 N 0.75 0.00 -1.95 1.52 5.41 -0.96 -4.92 119.36 119.22 1fjg n ILE 86 Ca 0.01 0.11 -0.42 0.00 1.00 0.00 0.00 62.75 63.45 1fjg n ILE 86 Cb 0.43 -1.00 -0.03 0.00 -0.71 0.00 0.00 39.64 38.34 1fjg n ILE 86 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 1fjg s SER 87 N -2.91 6.59 0.05 4.38 0.15 -0.38 -4.82 113.70 116.76 1fjg s SER 87 Ca 0.00 2.65 -0.04 0.00 0.70 0.00 0.00 55.95 59.25 1fjg s SER 87 Cb 0.00 -2.60 -0.02 0.00 -1.71 0.00 0.00 66.02 61.69 1fjg s SER 87 CO 0.00 -0.80 0.06 -0.54 1.20 0.00 0.00 173.24 173.17 1fjg s LYS 88 N 0.67 0.65 0.73 5.44 1.02 -0.87 -4.89 119.74 122.49 1fjg s LYS 88 Ca 0.67 -0.98 -0.15 0.00 0.02 0.00 0.00 55.97 55.53 1fjg s LYS 88 Cb -0.43 0.25 0.04 0.00 -0.52 0.00 0.00 37.83 37.16 1fjg s LYS 88 CO 0.35 -0.16 1.22 -1.25 -0.92 0.00 0.00 175.35 174.60 1fjg s PRO 89 N -3.39 2.09 0.00 -1.68 0.04 -1.26 -1.24 135.00 129.57 1fjg s PRO 89 Ca 0.02 1.82 0.00 0.00 0.04 0.00 0.00 61.00 62.88 1fjg s PRO 89 Cb 0.04 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.75 1fjg s PRO 89 CO -0.08 -1.88 0.00 0.41 0.04 0.00 0.00 177.00 175.48 1fjg n GLY 90 N 0.52 0.33 2.71 0.56 0.00 -1.26 -4.71 105.19 103.34 1fjg n GLY 90 Ca 0.14 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.10 1fjg n GLY 90 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1fjg n ARG 91 N -1.89 0.46 -2.46 1.61 0.00 -0.37 -5.17 116.66 108.84 1fjg n ARG 91 Ca 0.00 -1.26 -0.34 0.00 -0.00 0.00 0.00 57.85 56.26 1fjg n ARG 91 Cb 0.02 -0.87 -0.03 0.00 0.00 0.00 0.00 32.46 31.59 1fjg n ARG 91 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1fjg s ARG 92 N 0.47 3.74 -0.15 -0.14 3.00 -0.84 -2.05 118.95 122.97 1fjg s ARG 92 Ca 0.29 1.30 -0.01 0.00 0.00 0.00 0.00 55.73 57.31 1fjg s ARG 92 Cb 0.20 -2.09 0.04 0.00 0.00 0.00 0.00 34.95 33.11 1fjg s ARG 92 CO -0.16 -0.48 -0.02 0.08 0.00 0.00 0.00 175.30 174.72 1fjg s VAL 93 N -2.11 0.82 -0.06 3.52 1.01 -1.26 -4.88 120.40 117.44 1fjg s VAL 93 Ca 0.66 -0.45 0.06 0.00 0.00 0.00 0.00 61.98 62.25 1fjg s VAL 93 Cb -0.16 -1.06 -0.01 0.00 0.00 0.00 0.00 36.38 35.15 1fjg s VAL 93 CO 0.23 0.09 -0.23 -0.31 0.00 0.00 0.00 175.10 174.88 1fjg s TYR 94 N 1.76 2.49 0.13 5.22 1.51 -1.26 -0.43 117.35 126.77 1fjg s TYR 94 Ca 0.01 -0.59 0.08 0.00 -1.01 0.00 0.00 57.07 55.56 1fjg s TYR 94 Cb -0.15 -1.61 -0.04 0.00 -0.11 0.00 0.00 41.96 40.05 1fjg s TYR 94 CO -0.07 -0.13 -0.18 0.14 -1.11 0.00 0.00 175.55 174.19 1fjg s VAL 95 N -0.27 1.66 0.40 0.71 -7.23 -0.23 -4.95 120.40 110.49 1fjg s VAL 95 Ca 0.00 -1.70 -0.06 0.00 -1.81 0.00 0.00 61.98 58.41 1fjg s VAL 95 Cb -0.13 -1.63 -0.05 0.00 0.56 0.00 0.00 36.38 35.13 1fjg s VAL 95 CO 0.03 -0.22 0.71 -0.83 -0.31 0.00 0.00 175.10 174.48 1fjg s GLY 96 N -2.26 1.70 0.60 2.32 0.00 -1.26 -1.17 107.32 107.25 1fjg s GLY 96 Ca 0.10 -0.45 0.28 0.00 0.00 0.00 0.00 44.72 44.64 1fjg s GLY 96 CO 0.05 -0.30 1.69 -0.24 0.00 0.00 0.00 173.10 174.30 1fjg h VAL 97 N 0.79 0.21 -0.20 1.40 3.04 -1.91 0.72 116.25 120.31 1fjg h VAL 97 Ca -0.47 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.22 1fjg h VAL 97 Cb 1.20 0.41 0.00 0.00 -2.01 0.00 0.00 31.29 30.88 1fjg h VAL 97 CO 0.63 0.00 0.00 0.29 -1.01 0.00 0.00 177.57 177.48 1fjg n LYS 98 N -3.50 2.04 -0.01 4.17 5.02 -1.26 -3.86 118.16 120.75 1fjg n LYS 98 Ca 0.13 -1.55 0.02 0.00 -2.02 0.00 0.00 58.31 54.88 1fjg n LYS 98 Cb 0.96 -1.45 0.02 0.00 -0.02 0.00 0.00 35.03 34.54 1fjg n LYS 98 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1fjg n GLU 99 N 0.80 0.37 -1.91 1.97 1.02 0.25 -5.01 120.64 118.14 1fjg n GLU 99 Ca 0.17 -0.95 -0.42 0.00 -0.02 0.00 0.00 57.16 55.94 1fjg n GLU 99 Cb 0.45 -1.07 -0.03 0.00 -0.02 0.00 0.00 31.44 30.78 1fjg n GLU 99 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1fjg s ILE 100 N -0.46 3.41 0.56 -3.67 1.01 -1.10 -4.80 121.20 116.15 1fjg s ILE 100 Ca 0.05 0.50 -0.19 0.00 0.00 0.00 0.00 60.65 61.01 1fjg s ILE 100 Cb 0.03 -3.32 -0.05 0.00 0.01 0.00 0.00 42.46 39.12 1fjg s ILE 100 CO 0.04 -0.05 1.12 -2.16 0.00 0.00 0.00 174.94 173.89 1fjg s PRO 101 N 4.18 3.31 -0.45 2.79 0.04 -1.26 -5.01 135.00 138.59 1fjg s PRO 101 Ca 0.78 1.55 -0.12 0.00 0.04 0.00 0.00 61.00 63.25 1fjg s PRO 101 Cb -0.36 -2.00 0.09 0.00 0.04 0.00 0.00 34.50 32.26 1fjg s PRO 101 CO 0.33 -0.87 0.34 1.03 0.04 0.00 0.00 177.00 177.86 1fjg s ARG 102 N -3.42 2.74 0.10 4.56 0.52 -1.26 -4.87 118.95 117.32 1fjg s ARG 102 Ca 0.71 -1.49 -0.31 0.00 -0.52 0.00 0.00 55.73 54.12 1fjg s ARG 102 Cb -0.23 -3.96 -0.08 0.00 0.52 0.00 0.00 34.95 31.20 1fjg s ARG 102 CO 0.29 -1.04 1.51 0.08 0.02 0.00 0.00 175.30 176.16 1fjg s VAL 103 N 1.50 3.08 -1.11 3.52 1.01 -1.26 -3.68 120.40 123.46 1fjg s VAL 103 Ca 0.04 0.69 -0.18 0.00 0.00 0.00 0.00 61.98 62.53 1fjg s VAL 103 Cb -0.24 -3.45 0.02 0.00 0.00 0.00 0.00 36.38 32.71 1fjg s VAL 103 CO 0.03 0.03 0.33 0.54 0.00 0.00 0.00 175.10 176.04 1fjg n ARG 104 N 4.56 -0.58 -4.13 2.72 5.12 -1.26 0.99 116.66 124.07 1fjg n ARG 104 Ca 0.14 -0.00 -0.32 0.00 -1.93 0.00 0.00 57.85 55.73 1fjg n ARG 104 Cb 0.41 -2.28 -0.03 0.00 -1.16 0.00 0.00 32.46 29.40 1fjg n ARG 104 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1fjg n ARG 105 N -4.21 -3.05 0.00 5.56 3.00 -1.24 0.13 116.66 116.84 1fjg n ARG 105 Ca -0.16 0.36 0.00 0.00 -0.01 0.00 0.00 57.85 58.04 1fjg n ARG 105 Cb 0.51 -4.78 0.00 0.00 0.00 0.00 0.00 32.46 28.19 1fjg n ARG 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1fjg n GLY 106 N -1.71 2.97 0.25 -0.13 0.00 0.28 -4.77 105.19 102.07 1fjg n GLY 106 Ca -0.10 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.04 1fjg n GLY 106 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1fjg h LEU 107 N 0.00 0.00 0.00 0.99 3.38 -0.23 -3.43 115.31 116.01 1fjg h LEU 107 Ca 0.00 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 1fjg h LEU 107 Cb 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1fjg h LEU 107 CO 0.00 0.15 -0.27 0.61 0.09 0.00 0.00 178.44 179.03 1fjg n GLY 108 N -0.39 2.70 3.33 0.83 0.00 -0.82 -4.95 105.19 105.89 1fjg n GLY 108 Ca -0.01 -2.30 -0.20 0.00 0.00 0.00 0.00 46.02 43.51 1fjg n GLY 108 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1fjg s ILE 109 N -2.76 0.14 0.03 -0.61 -4.36 0.12 -4.46 121.20 109.31 1fjg s ILE 109 Ca 0.33 -2.00 -0.02 0.00 -0.26 0.00 0.00 60.65 58.70 1fjg s ILE 109 Cb -0.03 -2.46 -0.02 0.00 1.25 0.00 0.00 42.46 41.20 1fjg s ILE 109 CO 0.21 0.00 0.00 0.00 0.24 0.00 0.00 174.94 175.39 1fjg s ALA 110 N -3.46 0.16 -0.29 2.27 0.00 -1.26 -1.57 121.76 117.61 1fjg s ALA 110 Ca 0.37 -0.71 0.02 0.00 0.00 0.00 0.00 51.96 51.64 1fjg s ALA 110 Cb 0.03 0.19 0.08 0.00 0.00 0.00 0.00 23.12 23.42 1fjg s ALA 110 CO 0.23 -0.24 -0.01 0.42 0.00 0.00 0.00 175.76 176.16 1fjg s ILE 111 N -2.27 1.89 0.73 0.00 1.01 -0.23 -1.48 121.20 120.84 1fjg s ILE 111 Ca -0.08 -1.77 -0.06 0.00 0.00 0.00 0.00 60.65 58.74 1fjg s ILE 111 Cb -0.04 -2.23 0.09 0.00 0.01 0.00 0.00 42.46 40.29 1fjg s ILE 111 CO -0.04 -0.34 1.04 -0.76 0.00 0.00 0.00 174.94 174.84 1fjg s LEU 112 N 1.17 2.85 -0.25 2.97 2.01 0.53 -1.51 118.68 126.45 1fjg s LEU 112 Ca 0.02 0.29 -0.02 0.00 0.01 0.00 0.00 54.13 54.42 1fjg s LEU 112 Cb -0.19 -2.83 0.08 0.00 0.01 0.00 0.00 46.19 43.26 1fjg s LEU 112 CO -0.09 -1.75 0.08 -0.55 1.01 0.00 0.00 176.35 175.05 1fjg s SER 113 N -4.59 3.39 0.42 2.29 0.15 -0.03 -2.11 113.70 113.22 1fjg s SER 113 Ca 0.63 -1.18 0.08 0.00 0.70 0.00 0.00 55.95 56.17 1fjg s SER 113 Cb -0.09 -0.62 -0.03 0.00 -1.71 0.00 0.00 66.02 63.58 1fjg s SER 113 CO 0.45 -0.37 0.34 0.42 1.20 0.00 0.00 173.24 175.28 1fjg s THR 114 N 1.84 2.56 -1.65 6.45 -4.23 -1.04 -2.07 115.64 117.50 1fjg s THR 114 Ca 0.05 -1.42 0.20 0.00 -1.18 0.00 0.00 61.69 59.34 1fjg s THR 114 Cb -0.17 -2.98 0.44 0.00 1.34 0.00 0.00 72.50 71.14 1fjg s THR 114 CO -0.20 0.00 1.62 -1.54 -0.54 0.00 0.00 174.62 173.96 1fjg n SER 115 N -1.49 0.00 -1.21 3.99 3.41 -1.26 0.08 113.62 117.13 1fjg n SER 115 Ca 0.03 -0.25 0.11 0.00 -0.26 0.00 0.00 58.87 58.50 1fjg n SER 115 Cb 0.62 -0.17 0.26 0.00 -0.26 0.00 0.00 64.21 64.66 1fjg n SER 115 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1fjg n LYS 116 N -1.17 2.59 0.00 4.33 5.02 -1.26 -5.06 118.16 122.60 1fjg n LYS 116 Ca 0.12 -2.43 0.00 0.00 -2.02 0.00 0.00 58.31 53.98 1fjg n LYS 116 Cb 0.12 -1.52 0.00 0.00 -0.02 0.00 0.00 35.03 33.61 1fjg n LYS 116 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1fjg n GLY 117 N 1.50 1.29 3.69 0.72 0.00 0.11 -4.96 105.19 107.54 1fjg n GLY 117 Ca 0.21 -1.98 -0.42 0.00 0.00 0.00 0.00 46.02 43.83 1fjg n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fjg s VAL 118 N -2.05 2.95 0.15 1.61 1.01 -1.26 -2.50 120.40 120.31 1fjg s VAL 118 Ca 0.00 0.38 -0.01 0.00 0.00 0.00 0.00 61.98 62.35 1fjg s VAL 118 Cb 0.00 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.10 1fjg s VAL 118 CO 0.00 -0.00 0.08 -0.76 0.00 0.00 0.00 175.10 174.41 1fjg s LEU 119 N 2.82 1.59 0.48 3.92 1.43 -0.90 -4.97 118.68 123.06 1fjg s LEU 119 Ca 0.76 -1.27 -0.03 0.00 -1.03 0.00 0.00 54.13 52.57 1fjg s LEU 119 Cb -0.41 0.31 -0.01 0.00 0.03 0.00 0.00 46.19 46.11 1fjg s LEU 119 CO 0.33 -0.76 0.74 0.42 0.23 0.00 0.00 176.35 177.32 1fjg s THR 120 N -4.07 4.28 0.31 5.49 -4.23 -1.26 -0.34 115.64 115.82 1fjg s THR 120 Ca 0.29 -0.20 0.08 0.00 -1.18 0.00 0.00 61.69 60.68 1fjg s THR 120 Cb 0.07 -3.62 0.30 0.00 1.34 0.00 0.00 72.50 70.60 1fjg s THR 120 CO 0.05 -0.52 1.71 -2.24 -0.54 0.00 0.00 174.62 173.08 1fjg h ASP 121 N 0.26 0.53 0.31 3.99 2.03 -1.62 0.21 116.42 122.13 1fjg h ASP 121 Ca -0.47 0.15 -0.02 0.00 -0.73 0.00 0.00 57.03 55.97 1fjg h ASP 121 Cb 1.24 0.08 0.00 0.00 -0.83 0.00 0.00 39.33 39.82 1fjg h ASP 121 CO 0.60 0.05 -0.15 0.03 -1.03 0.00 0.00 179.24 178.73 1fjg h ARG 122 N 0.49 -0.40 -0.82 4.15 3.08 -1.93 0.34 114.38 119.29 1fjg h ARG 122 Ca 0.62 0.03 0.18 0.00 0.07 0.00 0.00 59.98 60.87 1fjg h ARG 122 Cb 1.19 0.09 -0.11 0.00 0.08 0.00 0.00 29.97 31.22 1fjg h ARG 122 CO -0.51 -0.07 0.32 0.93 -1.07 0.00 0.00 179.97 179.58 1fjg h GLU 123 N -0.86 0.39 -0.01 0.04 5.08 -1.74 0.17 114.58 117.65 1fjg h GLU 123 Ca -0.04 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1fjg h GLU 123 Cb 0.52 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 1fjg h GLU 123 CO 0.07 0.26 -0.00 0.00 -1.00 0.00 0.00 179.01 178.34 1fjg h ALA 124 N 1.63 0.02 -0.77 3.43 0.00 -0.48 -1.94 119.26 121.15 1fjg h ALA 124 Ca 0.48 -0.16 0.11 0.00 0.00 0.00 0.00 54.91 55.34 1fjg h ALA 124 Cb 0.83 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 1fjg h ALA 124 CO -0.48 -0.32 0.50 -0.09 0.00 0.00 0.00 179.25 178.86 1fjg h ARG 125 N -0.29 0.59 0.68 0.00 2.43 0.11 -0.30 114.38 117.60 1fjg h ARG 125 Ca 0.00 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.10 1fjg h ARG 125 Cb 0.32 -0.13 0.01 0.00 -0.42 0.00 0.00 29.97 29.74 1fjg h ARG 125 CO 0.00 0.39 -0.33 -0.22 -1.51 0.00 0.00 179.97 178.30 1fjg h LYS 126 N 0.61 -0.88 0.00 0.20 3.64 -0.45 -2.01 116.57 117.67 1fjg h LYS 126 Ca 0.36 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.80 1fjg h LYS 126 Cb 0.58 0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.60 1fjg h LYS 126 CO -0.13 -0.59 0.00 1.28 -2.27 0.00 0.00 179.45 177.74 1fjg n LEU 127 N -4.96 0.00 -3.61 5.20 7.99 -0.75 -4.82 117.00 116.04 1fjg n LEU 127 Ca -0.11 0.00 -0.22 0.00 -0.01 0.00 0.00 56.01 55.67 1fjg n LEU 127 Cb 0.36 0.00 0.04 0.00 -0.11 0.00 0.00 43.42 43.72 1fjg n LEU 127 CO 0.27 0.00 -0.04 0.61 -1.51 0.00 0.00 177.39 176.72 1fjg n GLY 128 N -0.63 -0.51 3.11 -0.72 0.00 -0.21 -5.01 105.19 101.21 1fjg n GLY 128 Ca 0.03 0.23 -0.09 0.00 0.00 0.00 0.00 46.02 46.19 1fjg n GLY 128 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1fjg s VAL 129 N -3.58 0.42 0.27 1.61 -7.23 -0.65 -4.90 120.40 106.33 1fjg s VAL 129 Ca 0.13 -1.76 0.00 0.00 -1.81 0.00 0.00 61.98 58.54 1fjg s VAL 129 Cb -0.03 -1.45 -0.00 0.00 0.56 0.00 0.00 36.38 35.46 1fjg s VAL 129 CO 0.80 -0.88 0.00 0.61 -0.31 0.00 0.00 175.10 175.32 1fjg n GLY 130 N 0.22 3.85 0.00 2.32 0.00 -1.26 -4.31 105.19 106.02 1fjg n GLY 130 Ca -0.14 -2.28 0.00 0.00 0.00 0.00 0.00 46.02 43.60 1fjg n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fjg n GLY 131 N 1.73 -0.66 3.70 -0.02 0.00 -0.32 -4.45 105.19 105.17 1fjg n GLY 131 Ca -0.11 -0.97 -0.42 0.00 0.00 0.00 0.00 46.02 44.52 1fjg n GLY 131 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1fjg s GLU 132 N -1.35 4.30 -1.03 1.61 2.12 -0.88 -1.07 118.70 122.40 1fjg s GLU 132 Ca 0.00 2.00 -0.21 0.00 0.36 0.00 0.00 54.97 57.12 1fjg s GLU 132 Cb 0.00 -3.46 0.09 0.00 0.26 0.00 0.00 34.13 31.02 1fjg s GLU 132 CO 0.00 -0.52 1.37 -1.17 -0.54 0.00 0.00 175.26 174.40 1fjg s LEU 133 N 1.92 4.15 0.09 2.70 0.20 0.43 -0.85 118.68 127.32 1fjg s LEU 133 Ca 0.64 -1.84 -0.25 0.00 0.69 0.00 0.00 54.13 53.37 1fjg s LEU 133 Cb -0.33 -2.50 -0.14 0.00 -0.43 0.00 0.00 46.19 42.78 1fjg s LEU 133 CO 0.28 -1.28 1.70 0.40 -0.29 0.00 0.00 176.35 177.16 1fjg h ILE 134 N 6.23 0.78 -2.52 6.68 2.04 -1.57 -1.01 117.51 128.14 1fjg h ILE 134 Ca 0.22 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.22 1fjg h ILE 134 Cb 0.99 0.78 -0.07 0.00 -0.74 0.00 0.00 36.82 37.78 1fjg h ILE 134 CO 1.31 0.00 0.43 0.00 0.00 0.00 0.00 178.15 179.89 1fjg s GLU 136 N -3.33 1.85 -0.02 0.00 2.12 -0.72 -1.07 118.70 117.53 1fjg s GLU 136 Ca 0.13 -0.42 0.06 0.00 0.36 0.00 0.00 54.97 55.10 1fjg s GLU 136 Cb -0.03 -1.65 -0.02 0.00 0.26 0.00 0.00 34.13 32.70 1fjg s GLU 136 CO 0.04 -0.10 -0.20 0.08 -0.54 0.00 0.00 175.26 174.53 1fjg s VAL 137 N 1.11 1.62 0.00 3.70 1.01 -0.61 -1.62 120.40 125.62 1fjg s VAL 137 Ca -0.05 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.05 1fjg s VAL 137 Cb -0.14 -1.35 0.00 0.00 0.00 0.00 0.00 36.38 34.89 1fjg s VAL 137 CO -0.02 0.46 0.00 -2.67 0.00 0.00 0.00 175.10 172.87