#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dlv s SER 2 N 0.00 5.20 -0.09 1.61 0.15 -1.26 -5.06 113.70 114.24 2dlv s SER 2 Ca 0.00 1.72 -0.01 0.00 0.70 0.00 0.00 55.95 58.36 2dlv s SER 2 Cb 0.00 -2.51 0.03 0.00 -1.71 0.00 0.00 66.02 61.83 2dlv s SER 2 CO 0.00 -1.57 -0.03 -0.55 1.20 0.00 0.00 173.24 172.30 2dlv s SER 3 N -3.48 1.90 0.00 5.45 0.15 -1.26 -4.93 113.70 111.52 2dlv s SER 3 Ca 0.60 -0.21 0.00 0.00 0.70 0.00 0.00 55.95 57.04 2dlv s SER 3 Cb -0.15 -0.61 0.00 0.00 -1.71 0.00 0.00 66.02 63.55 2dlv s SER 3 CO 0.52 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 175.40 2dlv n GLY 4 N 5.06 0.00 3.56 9.45 0.00 -1.26 -5.17 105.19 116.83 2dlv n GLY 4 Ca -0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.65 2dlv n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dlv s SER 5 N 0.00 4.25 -0.18 1.61 0.01 -1.26 -5.04 113.70 113.09 2dlv s SER 5 Ca 0.00 -0.52 0.04 0.00 1.31 0.00 0.00 55.95 56.78 2dlv s SER 5 Cb 0.00 -0.73 -0.14 0.00 0.21 0.00 0.00 66.02 65.36 2dlv s SER 5 CO 0.00 0.13 -0.12 -0.24 0.41 0.00 0.00 173.24 173.42 2dlv n SER 6 N 0.31 2.26 -1.85 2.44 2.88 -1.26 -5.06 113.62 113.34 2dlv n SER 6 Ca -0.12 -0.08 -0.04 0.00 -1.33 0.00 0.00 58.87 57.30 2dlv n SER 6 Cb 0.54 -0.06 -0.01 0.00 -0.75 0.00 0.00 64.21 63.93 2dlv n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dlv n GLY 7 N 2.48 4.00 3.24 0.46 0.00 -1.26 -5.13 105.19 108.99 2dlv n GLY 7 Ca -0.32 -1.97 -0.37 0.00 0.00 0.00 0.00 46.02 43.36 2dlv n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dlv s SER 8 N -1.34 5.21 0.22 1.61 0.01 -1.26 -4.97 113.70 113.17 2dlv s SER 8 Ca 0.03 -1.22 -0.01 0.00 1.31 0.00 0.00 55.95 56.05 2dlv s SER 8 Cb 0.00 -1.83 0.20 0.00 0.21 0.00 0.00 66.02 64.61 2dlv s SER 8 CO 0.02 -0.32 1.58 1.55 0.41 0.00 0.00 173.24 176.47 2dlv h PRO 9 N 8.16 0.55 -0.04 12.44 0.13 -1.96 -0.72 132.00 150.57 2dlv h PRO 9 Ca -0.22 -0.29 -0.09 0.00 -0.87 0.00 0.00 66.00 64.53 2dlv h PRO 9 Cb 1.07 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 2dlv h PRO 9 CO 0.59 0.88 -0.40 1.05 -0.23 0.00 0.00 178.00 179.89 2dlv h GLU 10 N 0.45 0.08 0.20 0.86 9.09 -2.01 -2.98 114.58 120.26 2dlv h GLU 10 Ca 0.03 -0.03 -0.34 0.00 0.05 0.00 0.00 59.36 59.08 2dlv h GLU 10 Cb 0.93 -0.00 0.02 0.00 -1.65 0.00 0.00 28.75 28.05 2dlv h GLU 10 CO 0.08 0.47 -1.62 0.93 0.05 0.00 0.00 179.01 178.92 2dlv h GLU 11 N 0.06 0.42 -0.55 1.06 5.08 -1.95 -3.33 114.58 115.37 2dlv h GLU 11 Ca 0.00 -0.72 0.11 0.00 -1.00 0.00 0.00 59.36 57.75 2dlv h GLU 11 Cb 0.74 0.27 -0.09 0.00 0.50 0.00 0.00 28.75 30.17 2dlv h GLU 11 CO 0.06 1.35 0.02 0.00 -1.00 0.00 0.00 179.01 179.43 2dlv h ALA 12 N 0.11 0.55 -0.17 3.43 0.00 -1.07 0.20 119.26 122.30 2dlv h ALA 12 Ca -0.31 0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.78 2dlv h ALA 12 Cb 2.08 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 20.12 2dlv h ALA 12 CO 0.19 -0.37 0.12 -0.24 0.00 0.00 0.00 179.25 178.95 2dlv h VAL 13 N 0.14 0.98 0.05 0.00 3.04 -1.67 -1.99 116.25 116.81 2dlv h VAL 13 Ca 0.28 -0.04 -0.28 0.00 -1.01 0.00 0.00 66.70 65.66 2dlv h VAL 13 Cb 0.44 0.85 0.02 0.00 -2.01 0.00 0.00 31.29 30.58 2dlv h VAL 13 CO -0.45 0.02 -1.12 0.11 -1.01 0.00 0.00 177.57 175.13 2dlv h LYS 14 N 0.13 0.62 -0.97 4.17 1.57 -0.82 -3.34 116.57 117.92 2dlv h LYS 14 Ca 0.07 -0.74 0.09 0.00 -1.87 0.00 0.00 60.65 58.21 2dlv h LYS 14 Cb 0.14 0.23 -0.12 0.00 0.08 0.00 0.00 32.23 32.55 2dlv h LYS 14 CO -0.01 1.32 -0.55 0.91 -0.57 0.00 0.00 179.45 180.54 2dlv n TRP 15 N -3.80 -0.38 -0.45 -1.35 8.01 0.05 0.89 117.44 120.41 2dlv n TRP 15 Ca -0.11 1.21 0.38 0.00 -1.31 0.00 0.00 57.50 57.66 2dlv n TRP 15 Cb 0.92 -0.60 0.63 0.00 -2.01 0.00 0.00 31.31 30.25 2dlv n TRP 15 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2dlv n GLY 16 N -1.26 -0.78 0.25 6.99 0.00 -1.24 -1.48 105.19 107.67 2dlv n GLY 16 Ca 0.03 0.69 -0.06 0.00 0.00 0.00 0.00 46.02 46.67 2dlv n GLY 16 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2dlv n GLU 17 N -4.47 -0.26 -3.54 1.61 1.02 0.26 -4.65 120.64 110.60 2dlv n GLU 17 Ca 0.37 0.92 -0.13 0.00 -0.02 0.00 0.00 57.16 58.30 2dlv n GLU 17 Cb 1.46 -1.35 -0.04 0.00 -0.02 0.00 0.00 31.44 31.49 2dlv n GLU 17 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2dlv s SER 18 N -5.30 -0.45 0.28 1.62 0.01 -0.55 -5.04 113.70 104.26 2dlv s SER 18 Ca -0.07 0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.26 2dlv s SER 18 Cb 0.07 0.52 0.51 0.00 0.21 0.00 0.00 66.02 67.33 2dlv s SER 18 CO 0.38 -0.81 1.85 0.15 0.41 0.00 0.00 173.24 175.22 2dlv h PHE 19 N 2.49 1.16 0.25 2.43 3.57 -1.82 -2.73 116.94 122.29 2dlv h PHE 19 Ca -0.32 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.21 2dlv h PHE 19 Cb 1.24 -0.37 -0.03 0.00 2.79 0.00 0.00 35.95 39.58 2dlv h PHE 19 CO 0.32 0.51 -0.48 0.22 -2.23 0.00 0.00 178.31 176.64 2dlv h ASP 20 N 1.05 -1.41 -0.97 0.41 1.82 -1.96 -2.55 116.42 112.81 2dlv h ASP 20 Ca 0.48 0.13 0.15 0.00 -0.39 0.00 0.00 57.03 57.40 2dlv h ASP 20 Cb 0.39 0.50 -0.16 0.00 0.68 0.00 0.00 39.33 40.74 2dlv h ASP 20 CO -0.24 -0.56 -0.38 0.11 -1.61 0.00 0.00 179.24 176.56 2dlv h LYS 21 N -0.79 -0.01 -0.35 0.28 6.56 -1.78 0.25 116.57 120.72 2dlv h LYS 21 Ca -0.03 0.00 0.06 0.00 -1.06 0.00 0.00 60.65 59.62 2dlv h LYS 21 Cb 0.75 0.00 -0.08 0.00 -0.57 0.00 0.00 32.23 32.33 2dlv h LYS 21 CO -0.18 -0.01 -0.48 1.25 -2.06 0.00 0.00 179.45 177.96 2dlv h LEU 22 N -0.01 -1.59 -0.36 2.94 5.85 -1.42 -1.35 115.31 119.37 2dlv h LEU 22 Ca 0.34 0.22 0.03 0.00 0.84 0.00 0.00 57.88 59.31 2dlv h LEU 22 Cb 0.60 0.67 -0.03 0.00 0.37 0.00 0.00 40.66 42.27 2dlv h LEU 22 CO -0.97 -0.40 0.18 -0.07 -0.34 0.00 0.00 178.44 176.84 2dlv h LEU 23 N -0.39 0.27 -0.94 2.25 3.38 -0.60 -2.42 115.31 116.85 2dlv h LEU 23 Ca 0.10 0.02 0.28 0.00 0.09 0.00 0.00 57.88 58.37 2dlv h LEU 23 Cb 0.61 -0.04 -0.16 0.00 0.09 0.00 0.00 40.66 41.16 2dlv h LEU 23 CO -0.55 0.20 0.25 -1.28 0.09 0.00 0.00 178.44 177.14 2dlv h SER 24 N 0.37 -0.05 -3.29 -0.43 0.87 0.48 -3.38 113.55 108.12 2dlv h SER 24 Ca 0.15 0.23 -0.56 0.00 -1.23 0.00 0.00 61.79 60.38 2dlv h SER 24 Cb 0.06 0.32 -0.04 0.00 -0.44 0.00 0.00 62.40 62.30 2dlv h SER 24 CO -0.10 -0.26 -0.02 -2.28 -0.53 0.00 0.00 176.83 173.64 2dlv s HIS 25 N -5.87 3.78 -0.03 2.24 5.65 -0.85 -5.01 115.29 115.20 2dlv s HIS 25 Ca -0.12 1.28 -0.20 0.00 0.25 0.00 0.00 55.06 56.28 2dlv s HIS 25 Cb 0.28 -2.51 -0.13 0.00 -1.18 0.00 0.00 32.58 29.05 2dlv s HIS 25 CO 0.78 0.55 0.85 -0.09 -0.65 0.00 0.00 174.74 176.17 2dlv h ARG 26 N 4.33 -0.41 -0.89 2.88 9.65 -1.81 -2.56 114.38 125.57 2dlv h ARG 26 Ca -0.49 0.03 0.10 0.00 -1.10 0.00 0.00 59.98 58.51 2dlv h ARG 26 Cb 1.21 0.09 -0.12 0.00 -1.39 0.00 0.00 29.97 29.76 2dlv h ARG 26 CO 0.64 -0.11 -0.54 -0.44 2.80 0.00 0.00 179.97 182.32 2dlv h ASP 27 N -0.98 -1.96 0.33 -3.80 5.19 -1.94 0.10 116.42 113.36 2dlv h ASP 27 Ca -0.04 0.31 -0.00 0.00 -0.62 0.00 0.00 57.03 56.67 2dlv h ASP 27 Cb 0.49 0.88 -0.02 0.00 0.18 0.00 0.00 39.33 40.86 2dlv h ASP 27 CO 0.07 -0.27 -0.31 1.23 -3.12 0.00 0.00 179.24 176.84 2dlv h GLY 28 N -0.07 -0.72 -0.37 2.75 0.00 -1.80 -2.74 103.07 100.12 2dlv h GLY 28 Ca 0.18 0.36 0.16 0.00 0.00 0.00 0.00 47.33 48.02 2dlv h GLY 28 CO -0.88 -0.27 -0.08 -2.00 0.00 0.00 0.00 176.54 173.31 2dlv h LEU 29 N -0.66 -0.48 -0.08 3.11 5.85 -0.81 -1.62 115.31 120.61 2dlv h LEU 29 Ca -0.02 0.20 0.02 0.00 0.84 0.00 0.00 57.88 58.92 2dlv h LEU 29 Cb 0.60 0.38 -0.05 0.00 0.37 0.00 0.00 40.66 41.96 2dlv h LEU 29 CO -0.05 -0.20 -0.46 -0.33 -0.34 0.00 0.00 178.44 177.06 2dlv h GLU 30 N 0.05 -0.50 -0.79 1.25 5.08 -0.55 -1.02 114.58 118.10 2dlv h GLU 30 Ca 0.38 0.03 0.18 0.00 -1.00 0.00 0.00 59.36 58.95 2dlv h GLU 30 Cb 0.63 0.11 -0.12 0.00 0.50 0.00 0.00 28.75 29.87 2dlv h GLU 30 CO -0.69 -0.33 0.18 0.00 -1.00 0.00 0.00 179.01 177.17 2dlv h ALA 31 N -0.51 1.04 -0.28 3.43 0.00 -1.12 -0.18 119.26 121.63 2dlv h ALA 31 Ca 0.02 0.19 0.05 0.00 0.00 0.00 0.00 54.91 55.18 2dlv h ALA 31 Cb 0.59 0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.60 2dlv h ALA 31 CO -0.35 -0.38 -0.03 0.35 0.00 0.00 0.00 179.25 178.84 2dlv h PHE 32 N 0.24 -0.07 -0.75 0.00 3.57 -0.54 -2.02 116.94 117.37 2dlv h PHE 32 Ca 0.46 0.02 0.14 0.00 3.53 0.00 0.00 57.97 62.12 2dlv h PHE 32 Cb 0.83 0.08 -0.09 0.00 2.79 0.00 0.00 35.95 39.56 2dlv h PHE 32 CO -0.28 -0.08 0.31 1.15 -2.23 0.00 0.00 178.31 177.19 2dlv h THR 33 N 0.05 0.68 -0.46 4.41 2.02 0.18 -1.35 112.91 118.44 2dlv h THR 33 Ca 0.14 -0.16 0.09 0.00 0.77 0.00 0.00 66.41 67.24 2dlv h THR 33 Cb 0.19 0.17 -0.07 0.00 -1.74 0.00 0.00 68.15 66.70 2dlv h THR 33 CO -0.26 0.09 0.01 0.03 0.37 0.00 0.00 175.52 175.76 2dlv h ARG 34 N 0.47 0.13 -0.83 6.66 3.08 -0.98 -0.27 114.38 122.64 2dlv h ARG 34 Ca 0.41 -0.01 0.18 0.00 0.07 0.00 0.00 59.98 60.63 2dlv h ARG 34 Cb 0.60 -0.03 -0.11 0.00 0.08 0.00 0.00 29.97 30.51 2dlv h ARG 34 CO -0.39 0.08 0.34 0.35 -1.07 0.00 0.00 179.97 179.28 2dlv h PHE 35 N 0.13 0.56 -0.13 3.04 3.57 -1.08 -1.11 116.94 121.92 2dlv h PHE 35 Ca 0.23 0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.71 2dlv h PHE 35 Cb 0.34 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 38.96 2dlv h PHE 35 CO -0.28 0.00 -0.15 -0.07 -2.23 0.00 0.00 178.31 175.58 2dlv h LEU 36 N 0.42 0.36 -0.85 0.59 3.38 -1.12 -3.22 115.31 114.87 2dlv h LEU 36 Ca 0.49 -0.50 0.20 0.00 0.09 0.00 0.00 57.88 58.16 2dlv h LEU 36 Cb 0.84 -0.10 -0.15 0.00 0.09 0.00 0.00 40.66 41.34 2dlv h LEU 36 CO -0.48 0.78 -0.04 0.11 0.09 0.00 0.00 178.44 178.91 2dlv h LYS 37 N -0.06 0.05 -0.80 1.13 1.57 0.17 0.80 116.57 119.43 2dlv h LYS 37 Ca 0.02 -0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.89 2dlv h LYS 37 Cb 0.69 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.93 2dlv h LYS 37 CO 0.04 0.04 0.52 1.79 -0.57 0.00 0.00 179.45 181.27 2dlv h THR 38 N 0.05 0.94 -0.55 -0.16 1.35 -1.44 0.17 112.91 113.27 2dlv h THR 38 Ca 0.47 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 66.08 2dlv h THR 38 Cb 0.84 0.14 0.00 0.00 -1.73 0.00 0.00 68.15 67.41 2dlv h THR 38 CO -0.79 0.13 0.00 -0.62 -0.25 0.00 0.00 175.52 173.99 2dlv n GLU 39 N -4.51 2.76 -2.75 4.72 -0.58 0.25 -4.91 120.64 115.63 2dlv n GLU 39 Ca 0.14 -2.18 -0.17 0.00 -0.42 0.00 0.00 57.16 54.53 2dlv n GLU 39 Cb 0.34 -1.61 -0.00 0.00 -0.57 0.00 0.00 31.44 29.59 2dlv n GLU 39 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 2dlv n PHE 40 N 1.03 -1.56 -0.72 -0.32 3.01 0.59 -4.81 117.46 114.68 2dlv n PHE 40 Ca 0.20 0.18 0.07 0.00 1.01 0.00 0.00 57.45 58.91 2dlv n PHE 40 Cb 0.61 -3.03 0.13 0.00 -0.01 0.00 0.00 39.48 37.18 2dlv n PHE 40 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 2dlv n SER 41 N -2.02 2.63 -0.34 4.37 7.64 -0.56 -4.69 113.62 120.65 2dlv n SER 41 Ca -0.11 -2.72 -0.03 0.00 1.01 0.00 0.00 58.87 57.02 2dlv n SER 41 Cb 0.60 -0.33 0.09 0.00 -1.01 0.00 0.00 64.21 63.55 2dlv n SER 41 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 2dlv h GLU 42 N 0.55 1.23 -1.27 1.43 -0.00 -1.86 -2.59 114.58 112.07 2dlv h GLU 42 Ca 0.00 -0.10 0.42 0.00 -0.00 0.00 0.00 59.36 59.68 2dlv h GLU 42 Cb 0.95 -0.26 -0.10 0.00 -0.00 0.00 0.00 28.75 29.33 2dlv h GLU 42 CO 0.04 0.84 0.85 -0.85 -0.00 0.00 0.00 179.01 179.90 2dlv n GLU 43 N -4.40 -0.02 -0.01 1.06 0.00 -1.26 0.15 120.64 116.15 2dlv n GLU 43 Ca 0.10 1.01 -0.10 0.00 0.00 0.00 0.00 57.16 58.17 2dlv n GLU 43 Cb 0.04 -2.06 -0.04 0.00 0.00 0.00 0.00 31.44 29.38 2dlv n GLU 43 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.13 176.22 2dlv h ASN 44 N 0.00 -0.08 0.72 -1.84 4.21 -1.77 -2.53 115.58 114.29 2dlv h ASN 44 Ca 0.75 0.03 -0.17 0.00 1.21 0.00 0.00 56.30 58.12 2dlv h ASN 44 Cb 2.56 0.07 -0.02 0.00 -1.12 0.00 0.00 38.32 39.80 2dlv h ASN 44 CO -0.30 -0.02 -0.79 -0.29 -1.29 0.00 0.00 177.43 174.75 2dlv h ILE 45 N 0.03 1.54 -0.46 2.81 6.09 0.12 -3.27 117.51 124.36 2dlv h ILE 45 Ca 0.06 -2.61 0.09 0.00 -1.37 0.00 0.00 64.86 61.03 2dlv h ILE 45 Cb 0.09 2.42 -0.09 0.00 0.47 0.00 0.00 36.82 39.70 2dlv h ILE 45 CO -0.12 0.75 -0.11 -0.33 -3.07 0.00 0.00 178.15 175.27 2dlv h GLU 46 N 0.03 0.00 -0.71 2.19 4.39 -0.78 -0.77 114.58 118.93 2dlv h GLU 46 Ca -0.01 -0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.66 2dlv h GLU 46 Cb 1.38 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 30.00 2dlv h GLU 46 CO 0.11 0.00 0.34 0.35 -1.16 0.00 0.00 179.01 178.65 2dlv h PHE 47 N 0.00 1.02 -0.88 4.33 3.57 -1.55 -1.84 116.94 121.59 2dlv h PHE 47 Ca 0.22 -0.05 0.08 0.00 3.53 0.00 0.00 57.97 61.75 2dlv h PHE 47 Cb 0.34 -0.32 -0.06 0.00 2.79 0.00 0.00 35.95 38.70 2dlv h PHE 47 CO -0.40 0.75 0.57 2.35 -2.23 0.00 0.00 178.31 179.35 2dlv h TRP 48 N 0.99 0.97 0.24 0.41 7.01 -1.25 -2.10 115.95 122.22 2dlv h TRP 48 Ca 0.24 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.26 2dlv h TRP 48 Cb 0.11 -0.32 0.00 0.00 -2.10 0.00 0.00 29.16 26.86 2dlv h TRP 48 CO 0.01 0.48 -0.11 0.82 -2.79 0.00 0.00 178.44 176.84 2dlv h ILE 49 N 0.93 0.66 -1.25 2.65 2.04 -0.77 -3.05 117.51 118.71 2dlv h ILE 49 Ca 0.39 -0.92 0.36 0.00 1.00 0.00 0.00 64.86 65.69 2dlv h ILE 49 Cb 0.30 1.08 -0.05 0.00 -0.74 0.00 0.00 36.82 37.41 2dlv h ILE 49 CO -0.15 0.16 0.90 0.00 0.00 0.00 0.00 178.15 179.05 2dlv h ALA 50 N -0.44 3.16 0.30 1.87 0.00 -1.13 -1.57 119.26 121.46 2dlv h ALA 50 Ca -0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2dlv h ALA 50 Cb 0.50 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2dlv h ALA 50 CO 0.05 -1.52 -0.15 0.00 0.00 0.00 0.00 179.25 177.64 2dlv h GLU 52 N -0.67 0.00 0.00 0.00 -0.00 -1.22 1.12 114.58 113.81 2dlv h GLU 52 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.32 2dlv h GLU 52 Cb 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.06 2dlv h GLU 52 CO 0.07 0.00 -1.39 -3.47 -0.00 0.00 0.00 179.01 174.21 2dlv n ASP 53 N -3.66 0.47 -0.03 3.06 -0.08 -0.67 -3.77 116.55 111.86 2dlv n ASP 53 Ca 0.14 0.02 -0.13 0.00 -1.51 0.00 0.00 54.79 53.30 2dlv n ASP 53 Cb 0.93 1.15 -0.09 0.00 2.34 0.00 0.00 41.12 45.45 2dlv n ASP 53 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 2dlv h PHE 54 N 0.00 0.14 0.00 -0.67 3.04 0.65 -3.17 116.94 116.94 2dlv h PHE 54 Ca 0.00 -0.05 -0.08 0.00 3.98 0.00 0.00 57.97 61.82 2dlv h PHE 54 Cb 0.91 -0.03 -0.01 0.00 2.56 0.00 0.00 35.95 39.38 2dlv h PHE 54 CO 0.00 0.59 -0.40 1.57 -2.02 0.00 0.00 178.31 178.06 2dlv h LYS 55 N -0.35 0.00 -1.04 1.11 -0.00 -1.61 -2.99 116.57 111.70 2dlv h LYS 55 Ca 0.01 0.00 0.30 0.00 -0.00 0.00 0.00 60.65 60.96 2dlv h LYS 55 Cb 0.57 0.00 -0.04 0.00 -0.00 0.00 0.00 32.23 32.76 2dlv h LYS 55 CO 0.01 0.40 0.80 0.87 -0.00 0.00 0.00 179.45 181.54 2dlv h LYS 56 N 0.00 0.00 -6.80 0.07 1.57 -1.64 -3.42 116.57 106.35 2dlv h LYS 56 Ca -0.00 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 58.30 2dlv h LYS 56 Cb 0.81 0.00 0.22 0.00 0.08 0.00 0.00 32.23 33.35 2dlv h LYS 56 CO 0.05 0.00 -0.71 0.43 -0.57 0.00 0.00 179.45 178.65 2dlv n SER 57 N -4.05 -2.05 -0.01 0.86 7.64 -1.13 -4.98 113.62 109.90 2dlv n SER 57 Ca 0.22 0.04 -0.02 0.00 1.01 0.00 0.00 58.87 60.12 2dlv n SER 57 Cb 1.15 -1.10 -0.01 0.00 -1.01 0.00 0.00 64.21 63.24 2dlv n SER 57 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 2dlv n LYS 58 N -2.47 1.20 -3.33 1.43 2.85 -1.26 -5.07 118.16 111.50 2dlv n LYS 58 Ca 0.03 0.01 -0.19 0.00 -1.05 0.00 0.00 58.31 57.12 2dlv n LYS 58 Cb 0.58 -1.06 -0.01 0.00 -0.65 0.00 0.00 35.03 33.90 2dlv n LYS 58 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 2dlv s GLY 59 N -3.96 1.85 -0.00 2.58 0.00 -1.26 -5.05 107.32 101.48 2dlv s GLY 59 Ca -0.03 -1.64 -0.24 0.00 0.00 0.00 0.00 44.72 42.81 2dlv s GLY 59 CO 0.07 -1.50 1.29 -0.56 0.00 0.00 0.00 173.10 172.41 2dlv h PRO 60 N 0.85 0.13 -0.11 2.90 0.13 -1.99 -3.24 132.00 130.67 2dlv h PRO 60 Ca -0.43 -0.07 0.01 0.00 -0.87 0.00 0.00 66.00 64.64 2dlv h PRO 60 Cb 1.27 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 2dlv h PRO 60 CO 0.51 0.59 -0.06 0.94 -0.23 0.00 0.00 178.00 179.74 2dlv n GLN 61 N -4.74 -0.05 -0.29 0.86 -0.06 -1.26 -0.33 117.38 111.51 2dlv n GLN 61 Ca -0.08 1.02 0.07 0.00 -2.00 0.00 0.00 57.00 56.01 2dlv n GLN 61 Cb 0.29 -1.52 0.17 0.00 -4.06 0.00 0.00 30.24 25.13 2dlv n GLN 61 CO 0.00 0.00 0.00 0.37 -0.20 0.00 0.00 177.06 177.23 2dlv h GLN 62 N 0.00 0.06 -0.15 3.69 5.75 -2.01 0.65 115.11 123.10 2dlv h GLN 62 Ca 0.02 -0.00 0.05 0.00 -0.15 0.00 0.00 58.65 58.56 2dlv h GLN 62 Cb 0.04 -0.01 -0.06 0.00 1.07 0.00 0.00 27.48 28.52 2dlv h GLN 62 CO -0.10 0.04 -0.21 0.82 -2.65 0.00 0.00 178.83 176.72 2dlv h ILE 63 N 0.06 0.46 -0.11 2.39 2.04 -0.70 -1.54 117.51 120.11 2dlv h ILE 63 Ca 0.45 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.36 2dlv h ILE 63 Cb 0.81 0.46 -0.05 0.00 -0.74 0.00 0.00 36.82 37.30 2dlv h ILE 63 CO -0.77 0.00 -0.21 0.45 0.00 0.00 0.00 178.15 177.61 2dlv h HIS 64 N -0.26 -0.56 -0.02 1.37 3.86 0.12 0.19 115.15 119.85 2dlv h HIS 64 Ca 0.11 0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.36 2dlv h HIS 64 Cb 0.42 0.27 -0.04 0.00 1.06 0.00 0.00 27.41 29.12 2dlv h HIS 64 CO -0.33 -0.29 -0.38 -0.07 0.86 0.00 0.00 177.93 177.72 2dlv h LEU 65 N -0.28 -1.17 -0.29 2.43 3.38 -0.89 0.51 115.31 119.00 2dlv h LEU 65 Ca 0.09 0.13 0.06 0.00 0.09 0.00 0.00 57.88 58.26 2dlv h LEU 65 Cb 0.42 0.45 -0.06 0.00 0.09 0.00 0.00 40.66 41.55 2dlv h LEU 65 CO -0.27 -0.36 -0.14 0.11 0.09 0.00 0.00 178.44 177.87 2dlv h LYS 66 N -0.46 -0.09 -0.26 1.13 1.57 -1.12 -1.75 116.57 115.58 2dlv h LYS 66 Ca 0.01 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.85 2dlv h LYS 66 Cb 0.50 0.02 -0.08 0.00 0.08 0.00 0.00 32.23 32.75 2dlv h LYS 66 CO -0.26 -0.06 -0.47 0.00 -0.57 0.00 0.00 179.45 178.09 2dlv h ALA 67 N 1.14 -0.63 0.06 3.86 0.00 -0.16 0.37 119.26 123.89 2dlv h ALA 67 Ca 0.15 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.09 2dlv h ALA 67 Cb 0.32 0.92 -0.05 0.00 0.00 0.00 0.00 17.79 18.98 2dlv h ALA 67 CO -0.35 -0.96 -0.47 -0.22 0.00 0.00 0.00 179.25 177.25 2dlv h LYS 68 N -0.45 -0.63 0.13 0.00 3.64 -0.52 0.59 116.57 119.33 2dlv h LYS 68 Ca 0.09 0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.51 2dlv h LYS 68 Cb 0.62 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.57 2dlv h LYS 68 CO -0.50 -0.42 -0.20 0.00 -2.27 0.00 0.00 179.45 176.06 2dlv h ALA 69 N -0.26 -0.83 -0.93 5.00 0.00 -0.86 -0.07 119.26 121.32 2dlv h ALA 69 Ca 0.02 -0.06 0.23 0.00 0.00 0.00 0.00 54.91 55.10 2dlv h ALA 69 Cb 0.70 0.52 -0.12 0.00 0.00 0.00 0.00 17.79 18.89 2dlv h ALA 69 CO -0.30 -0.86 0.46 0.82 0.00 0.00 0.00 179.25 179.36 2dlv h ILE 70 N -0.35 0.50 0.63 0.00 2.04 -0.21 0.12 117.51 120.24 2dlv h ILE 70 Ca -0.02 -0.16 -0.03 0.00 1.00 0.00 0.00 64.86 65.66 2dlv h ILE 70 Cb 0.32 -0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.40 2dlv h ILE 70 CO -0.06 0.08 -0.38 0.22 0.00 0.00 0.00 178.15 178.01 2dlv h TYR 71 N 0.46 -1.02 0.00 1.37 3.20 0.67 0.21 116.97 121.87 2dlv h TYR 71 Ca 0.58 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.44 2dlv h TYR 71 Cb 1.10 0.36 0.00 0.00 1.54 0.00 0.00 36.73 39.73 2dlv h TYR 71 CO -0.09 -0.57 0.00 0.39 -1.64 0.00 0.00 178.16 176.24 2dlv n GLU 72 N -4.80 0.20 -0.04 1.82 1.02 -0.08 0.18 120.64 118.94 2dlv n GLU 72 Ca -0.12 0.12 -0.03 0.00 -0.02 0.00 0.00 57.16 57.12 2dlv n GLU 72 Cb 0.39 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.30 2dlv n GLU 72 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2dlv n LYS 73 N -1.18 0.22 -0.05 3.49 4.81 0.36 -4.68 118.16 121.13 2dlv n LYS 73 Ca 0.05 0.29 -0.05 0.00 -0.87 0.00 0.00 58.31 57.74 2dlv n LYS 73 Cb 0.06 -1.11 -0.02 0.00 0.02 0.00 0.00 35.03 33.98 2dlv n LYS 73 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 2dlv n PHE 74 N -3.37 0.12 -0.03 5.64 3.01 0.66 -1.62 117.46 121.87 2dlv n PHE 74 Ca -0.04 0.05 -0.01 0.00 1.01 0.00 0.00 57.45 58.46 2dlv n PHE 74 Cb 0.16 -0.35 -0.01 0.00 -0.01 0.00 0.00 39.48 39.27 2dlv n PHE 74 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 2dlv n ILE 75 N -3.66 -0.06 -1.64 4.37 2.08 -0.84 -3.16 119.36 116.46 2dlv n ILE 75 Ca -0.07 1.22 -0.42 0.00 0.56 0.00 0.00 62.75 64.03 2dlv n ILE 75 Cb 0.28 -1.60 0.01 0.00 -0.75 0.00 0.00 39.64 37.57 2dlv n ILE 75 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2dlv n GLN 76 N -2.99 1.56 -2.00 0.38 10.64 0.13 -4.77 117.38 120.33 2dlv n GLN 76 Ca 0.00 0.56 -0.28 0.00 -1.83 0.00 0.00 57.00 55.45 2dlv n GLN 76 Cb 0.02 -2.12 0.10 0.00 -0.86 0.00 0.00 30.24 27.38 2dlv n GLN 76 CO 0.00 0.00 0.00 0.99 -1.83 0.00 0.00 177.06 176.22 2dlv s THR 77 N -1.21 2.07 -1.21 -0.39 2.01 -1.26 -4.05 115.64 111.61 2dlv s THR 77 Ca 0.61 -0.08 -0.03 0.00 0.31 0.00 0.00 61.69 62.50 2dlv s THR 77 Cb -0.57 -2.99 0.02 0.00 0.01 0.00 0.00 72.50 68.97 2dlv s THR 77 CO 0.58 0.00 0.20 -0.67 -0.69 0.00 0.00 174.62 174.04 2dlv n ASP 78 N -3.26 -4.19 -4.95 3.53 2.03 -1.26 -4.95 116.55 103.50 2dlv n ASP 78 Ca 0.09 -0.03 -0.22 0.00 0.52 0.00 0.00 54.79 55.15 2dlv n ASP 78 Cb 0.61 -3.50 0.01 0.00 -0.72 0.00 0.00 41.12 37.52 2dlv n ASP 78 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2dlv s ALA 79 N -2.78 4.45 0.19 -1.67 0.00 -1.26 -5.01 121.76 115.68 2dlv s ALA 79 Ca 0.14 -1.73 -0.05 0.00 0.00 0.00 0.00 51.96 50.32 2dlv s ALA 79 Cb -0.07 -1.11 0.12 0.00 0.00 0.00 0.00 23.12 22.05 2dlv s ALA 79 CO 0.18 -0.52 1.55 -1.00 0.00 0.00 0.00 175.76 175.96 2dlv h PRO 80 N 0.61 0.69 -0.11 0.00 0.13 -1.86 -3.22 132.00 128.24 2dlv h PRO 80 Ca -0.36 -0.36 0.00 0.00 -0.87 0.00 0.00 66.00 64.41 2dlv h PRO 80 Cb 1.29 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2dlv h PRO 80 CO 0.51 0.98 0.00 1.63 -0.23 0.00 0.00 178.00 180.88 2dlv n LYS 81 N -4.03 2.16 -1.63 0.86 4.76 -1.06 -4.97 118.16 114.24 2dlv n LYS 81 Ca -0.02 -2.50 -0.49 0.00 -2.87 0.00 0.00 58.31 52.44 2dlv n LYS 81 Cb 0.53 -1.54 -0.05 0.00 -1.84 0.00 0.00 35.03 32.14 2dlv n LYS 81 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 2dlv n GLU 82 N -0.86 1.68 -4.59 1.97 0.28 -0.64 -4.04 120.64 114.44 2dlv n GLU 82 Ca 0.16 0.61 -0.27 0.00 -0.16 0.00 0.00 57.16 57.49 2dlv n GLU 82 Cb 0.66 -2.32 -0.10 0.00 1.43 0.00 0.00 31.44 31.11 2dlv n GLU 82 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 2dlv s VAL 83 N 0.71 1.56 -0.49 3.84 -7.23 -1.19 -4.94 120.40 112.67 2dlv s VAL 83 Ca 0.81 -2.00 -0.28 0.00 -1.81 0.00 0.00 61.98 58.70 2dlv s VAL 83 Cb -0.81 -2.78 0.01 0.00 0.56 0.00 0.00 36.38 33.36 2dlv s VAL 83 CO 0.42 0.00 1.40 0.20 -0.31 0.00 0.00 175.10 176.81 2dlv s ASN 84 N -3.67 6.25 0.02 4.85 0.01 -1.26 -4.89 114.94 116.25 2dlv s ASN 84 Ca 0.30 0.54 0.05 0.00 -0.71 0.00 0.00 52.86 53.04 2dlv s ASN 84 Cb 0.08 -2.54 -0.02 0.00 0.41 0.00 0.00 41.25 39.18 2dlv s ASN 84 CO 0.15 -1.56 -0.14 -0.76 -1.51 0.00 0.00 177.10 173.28 2dlv s LEU 85 N 5.70 2.12 0.63 0.60 1.43 -1.26 -4.80 118.68 123.10 2dlv s LEU 85 Ca 0.56 -0.38 -0.19 0.00 -1.03 0.00 0.00 54.13 53.10 2dlv s LEU 85 Cb -0.12 -0.64 -0.02 0.00 0.03 0.00 0.00 46.19 45.44 2dlv s LEU 85 CO 0.29 0.08 1.30 -0.62 0.23 0.00 0.00 176.35 177.63 2dlv s ASP 86 N -0.84 4.70 0.08 2.29 -1.08 -1.26 -4.81 116.67 115.75 2dlv s ASP 86 Ca 0.03 2.64 -0.33 0.00 -0.52 0.00 0.00 52.55 54.37 2dlv s ASP 86 Cb -0.07 -2.62 -0.16 0.00 -1.46 0.00 0.00 42.92 38.61 2dlv s ASP 86 CO 0.01 -1.94 1.51 0.15 0.52 0.00 0.00 175.17 175.42 2dlv h PHE 87 N 0.68 -1.28 -0.66 -5.34 3.57 -2.00 -0.69 116.94 111.20 2dlv h PHE 87 Ca -0.51 0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.12 2dlv h PHE 87 Cb 1.33 0.49 -0.12 0.00 2.79 0.00 0.00 35.95 40.44 2dlv h PHE 87 CO 0.42 -0.63 -0.31 1.25 -2.23 0.00 0.00 178.31 176.82 2dlv h HIS 88 N -0.95 -0.82 -0.60 0.41 2.76 -1.99 0.24 115.15 114.20 2dlv h HIS 88 Ca -0.06 0.07 0.08 0.00 -2.20 0.00 0.00 60.37 58.26 2dlv h HIS 88 Cb 0.82 0.46 -0.06 0.00 1.55 0.00 0.00 27.41 30.17 2dlv h HIS 88 CO -0.22 -0.37 0.26 1.15 -1.30 0.00 0.00 177.93 177.44 2dlv h THR 89 N -0.11 0.83 0.25 6.26 2.02 -1.88 0.22 112.91 120.50 2dlv h THR 89 Ca 0.27 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 67.28 2dlv h THR 89 Cb 0.55 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 67.29 2dlv h THR 89 CO -0.73 0.08 -0.12 0.11 0.37 0.00 0.00 175.52 175.23 2dlv h LYS 90 N 0.47 -0.33 -0.14 6.66 1.57 0.76 -1.82 116.57 123.74 2dlv h LYS 90 Ca 0.29 0.02 0.03 0.00 -1.87 0.00 0.00 60.65 59.12 2dlv h LYS 90 Cb 0.31 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 2dlv h LYS 90 CO -0.26 -0.14 -0.02 1.49 -0.57 0.00 0.00 179.45 179.94 2dlv h GLU 91 N -0.44 0.02 -0.55 3.15 4.57 -0.27 0.68 114.58 121.74 2dlv h GLU 91 Ca -0.03 -0.00 0.10 0.00 -1.18 0.00 0.00 59.36 58.25 2dlv h GLU 91 Cb 0.33 -0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 28.84 2dlv h GLU 91 CO 0.06 0.01 0.08 0.28 -1.18 0.00 0.00 179.01 178.26 2dlv h VAL 92 N 0.02 0.65 -0.52 0.32 2.07 -0.52 -0.46 116.25 117.81 2dlv h VAL 92 Ca 0.07 -0.07 -0.09 0.00 0.82 0.00 0.00 66.70 67.42 2dlv h VAL 92 Cb 0.09 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 2dlv h VAL 92 CO -0.13 0.04 -0.03 0.40 0.02 0.00 0.00 177.57 177.86 2dlv h ILE 93 N 0.21 1.27 -0.68 4.57 2.04 -0.93 0.89 117.51 124.88 2dlv h ILE 93 Ca 0.28 -1.15 0.05 0.00 1.00 0.00 0.00 64.86 65.04 2dlv h ILE 93 Cb 0.41 0.96 -0.05 0.00 -0.74 0.00 0.00 36.82 37.40 2dlv h ILE 93 CO -0.39 0.41 0.39 0.74 0.00 0.00 0.00 178.15 179.30 2dlv h THR 94 N 0.81 1.01 0.00 -0.27 2.02 0.18 0.74 112.91 117.41 2dlv h THR 94 Ca 0.14 -0.25 -0.19 0.00 0.77 0.00 0.00 66.41 66.88 2dlv h THR 94 Cb 0.57 0.21 -0.03 0.00 -1.74 0.00 0.00 68.15 67.16 2dlv h THR 94 CO 0.03 0.14 -1.23 0.78 0.37 0.00 0.00 175.52 175.61 2dlv h ASN 95 N 0.74 0.00 -0.52 4.18 2.35 -1.01 -3.30 115.58 118.02 2dlv h ASN 95 Ca 0.29 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 2dlv h ASN 95 Cb 0.13 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.50 2dlv h ASN 95 CO -0.15 0.71 0.00 -0.24 -1.65 0.00 0.00 177.43 176.10 2dlv n SER 96 N -3.06 4.77 0.00 5.81 2.88 0.31 -4.27 113.62 120.06 2dlv n SER 96 Ca -0.07 -2.65 0.10 0.00 -1.33 0.00 0.00 58.87 54.92 2dlv n SER 96 Cb 0.88 -0.62 0.53 0.00 -0.75 0.00 0.00 64.21 64.25 2dlv n SER 96 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2dlv n ILE 97 N 0.70 0.34 -0.01 2.46 0.13 0.25 -1.89 119.36 121.35 2dlv n ILE 97 Ca 0.23 0.09 0.06 0.00 -1.10 0.00 0.00 62.75 62.03 2dlv n ILE 97 Cb 0.97 -0.74 -0.11 0.00 -0.84 0.00 0.00 39.64 38.92 2dlv n ILE 97 CO 0.00 0.00 0.00 0.35 2.80 0.00 0.00 176.55 179.70 2dlv n THR 98 N -1.28 0.08 -1.48 9.51 -2.24 -1.26 -4.50 114.28 113.10 2dlv n THR 98 Ca 0.10 -0.34 0.04 0.00 -2.27 0.00 0.00 64.05 61.58 2dlv n THR 98 Cb 0.17 0.11 0.20 0.00 -2.10 0.00 0.00 70.33 68.71 2dlv n THR 98 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dlv n GLN 99 N -2.03 1.65 -2.16 -0.78 6.02 -1.08 -5.04 117.38 113.97 2dlv n GLN 99 Ca -0.04 -3.18 -0.42 0.00 -0.01 0.00 0.00 57.00 53.35 2dlv n GLN 99 Cb 0.41 -1.66 -0.03 0.00 1.02 0.00 0.00 30.24 29.98 2dlv n GLN 99 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2dlv s PRO 100 N -3.18 4.23 0.62 -1.09 0.04 -0.79 -5.02 135.00 129.80 2dlv s PRO 100 Ca 0.39 2.02 0.07 0.00 0.04 0.00 0.00 61.00 63.51 2dlv s PRO 100 Cb 0.37 -3.75 0.10 0.00 0.04 0.00 0.00 34.50 31.25 2dlv s PRO 100 CO -0.04 -0.71 0.85 0.95 0.04 0.00 0.00 177.00 178.10 2dlv s THR 101 N 3.18 2.13 0.44 1.26 -4.23 -1.26 -4.86 115.64 112.30 2dlv s THR 101 Ca 0.66 -0.88 0.14 0.00 -1.18 0.00 0.00 61.69 60.43 2dlv s THR 101 Cb -0.31 -2.25 0.18 0.00 1.34 0.00 0.00 72.50 71.46 2dlv s THR 101 CO 0.26 0.00 1.98 -0.07 -0.54 0.00 0.00 174.62 176.25 2dlv h LEU 102 N -0.04 0.03 -3.07 4.79 3.38 -1.94 -1.41 115.31 117.05 2dlv h LEU 102 Ca -0.31 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.65 2dlv h LEU 102 Cb 1.28 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.02 2dlv h LEU 102 CO 0.40 0.21 0.00 1.41 0.09 0.00 0.00 178.44 180.55 2dlv n HIS 103 N -4.32 1.64 0.00 1.13 8.25 -1.26 -4.53 115.22 116.14 2dlv n HIS 103 Ca -0.02 -0.59 -0.00 0.00 -0.26 0.00 0.00 57.72 56.84 2dlv n HIS 103 Cb 0.25 -0.37 -0.00 0.00 1.12 0.00 0.00 29.99 30.99 2dlv n HIS 103 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2dlv h SER 104 N 3.55 -0.01 -0.99 0.41 0.87 -1.62 -3.34 113.55 112.43 2dlv h SER 104 Ca 0.00 0.00 0.25 0.00 -1.23 0.00 0.00 61.79 60.81 2dlv h SER 104 Cb 1.62 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 63.50 2dlv h SER 104 CO 0.35 0.01 0.66 -0.26 -0.53 0.00 0.00 176.83 177.05 2dlv h PHE 105 N -0.03 0.48 -0.62 2.24 0.04 -1.80 -2.09 116.94 115.16 2dlv h PHE 105 Ca -0.00 0.02 0.19 0.00 2.80 0.00 0.00 57.97 60.98 2dlv h PHE 105 Cb 0.01 -0.14 -0.12 0.00 2.20 0.00 0.00 35.95 37.90 2dlv h PHE 105 CO 0.04 0.08 0.08 -3.47 -0.60 0.00 0.00 178.31 174.44 2dlv n ASP 106 N -4.50 -0.01 0.31 2.17 -0.08 -1.25 0.12 116.55 113.31 2dlv n ASP 106 Ca 0.22 1.05 -0.17 0.00 -1.51 0.00 0.00 54.79 54.39 2dlv n ASP 106 Cb 0.85 -0.41 -0.09 0.00 2.34 0.00 0.00 41.12 43.82 2dlv n ASP 106 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2dlv h ALA 107 N 1.25 -0.76 -0.45 -1.67 0.00 -1.57 -2.40 119.26 113.65 2dlv h ALA 107 Ca 0.41 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.15 2dlv h ALA 107 Cb 0.91 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 2dlv h ALA 107 CO -0.56 -0.90 0.28 0.00 0.00 0.00 0.00 179.25 178.07 2dlv h ALA 108 N -0.41 0.57 -0.95 0.00 0.00 0.78 -2.34 119.26 116.91 2dlv h ALA 108 Ca -0.08 -0.02 0.19 0.00 0.00 0.00 0.00 54.91 55.00 2dlv h ALA 108 Cb 0.61 -0.15 -0.11 0.00 0.00 0.00 0.00 17.79 18.13 2dlv h ALA 108 CO 0.13 -0.02 0.53 0.37 0.00 0.00 0.00 179.25 180.27 2dlv h GLN 109 N 0.57 0.63 -0.36 0.00 4.15 -0.47 -0.36 115.11 119.27 2dlv h GLN 109 Ca 0.17 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.53 2dlv h GLN 109 Cb -0.03 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.50 2dlv h GLN 109 CO -0.06 0.42 0.15 1.03 -1.93 0.00 0.00 178.83 178.43 2dlv h SER 110 N 0.65 0.50 0.01 -0.69 0.87 -0.90 -0.98 113.55 113.01 2dlv h SER 110 Ca 0.56 -0.17 0.01 0.00 -1.23 0.00 0.00 61.79 60.96 2dlv h SER 110 Cb 0.91 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.71 2dlv h SER 110 CO -0.41 0.53 -0.28 -0.09 -0.53 0.00 0.00 176.83 176.04 2dlv h ARG 111 N 0.44 -0.35 -0.30 2.24 1.12 -0.84 -2.22 114.38 114.47 2dlv h ARG 111 Ca 0.12 0.02 0.04 0.00 -1.11 0.00 0.00 59.98 59.06 2dlv h ARG 111 Cb 0.18 0.08 -0.04 0.00 -0.01 0.00 0.00 29.97 30.18 2dlv h ARG 111 CO -0.01 -0.23 0.05 0.28 -3.11 0.00 0.00 179.97 176.95 2dlv h VAL 112 N -0.36 0.85 -0.99 0.20 2.07 -1.52 -2.04 116.25 114.45 2dlv h VAL 112 Ca 0.01 -0.05 0.35 0.00 0.82 0.00 0.00 66.70 67.82 2dlv h VAL 112 Cb 0.39 0.67 -0.18 0.00 -1.52 0.00 0.00 31.29 30.65 2dlv h VAL 112 CO -0.19 0.03 0.35 0.22 0.02 0.00 0.00 177.57 178.00 2dlv h TYR 113 N 0.16 0.50 -0.08 1.57 5.03 -0.83 0.58 116.97 123.91 2dlv h TYR 113 Ca 0.14 0.05 -0.14 0.00 2.58 0.00 0.00 58.73 61.36 2dlv h TYR 113 Cb 0.16 -0.05 0.01 0.00 1.55 0.00 0.00 36.73 38.39 2dlv h TYR 113 CO -0.18 -0.43 -0.51 1.96 -1.32 0.00 0.00 178.16 177.68 2dlv h GLN 114 N 0.03 0.48 -0.78 1.82 4.20 -0.78 -2.33 115.11 117.76 2dlv h GLN 114 Ca 0.74 -0.42 0.18 0.00 0.06 0.00 0.00 58.65 59.21 2dlv h GLN 114 Cb 1.80 0.09 -0.11 0.00 0.30 0.00 0.00 27.48 29.56 2dlv h GLN 114 CO -0.81 1.05 0.22 -0.07 -0.67 0.00 0.00 178.83 178.56 2dlv h LEU 115 N 0.05 0.08 0.08 1.46 3.38 0.57 -1.33 115.31 119.59 2dlv h LEU 115 Ca -0.04 0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 2dlv h LEU 115 Cb 1.17 0.19 0.00 0.00 0.09 0.00 0.00 40.66 42.11 2dlv h LEU 115 CO 0.10 -0.03 -0.04 0.24 0.09 0.00 0.00 178.44 178.80 2dlv h MET 116 N 0.30 -0.11 0.00 1.13 2.86 -1.31 -3.10 114.93 114.70 2dlv h MET 116 Ca 0.45 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 58.10 2dlv h MET 116 Cb 0.80 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.48 2dlv h MET 116 CO -0.52 0.43 0.50 1.49 1.06 0.00 0.00 176.91 179.86 2dlv h GLU 117 N -0.76 0.00 0.00 1.72 4.57 -0.81 0.17 114.58 119.47 2dlv h GLU 117 Ca -0.01 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.17 2dlv h GLU 117 Cb 0.58 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.17 2dlv h GLU 117 CO 0.02 0.00 -0.00 1.96 -1.18 0.00 0.00 179.01 179.81 2dlv h GLN 118 N 0.00 -0.00 0.00 1.92 4.20 -1.18 -3.40 115.11 116.65 2dlv h GLN 118 Ca 0.00 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 2dlv h GLN 118 Cb 1.00 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.77 2dlv h GLN 118 CO 0.00 -0.00 -1.15 -0.40 -0.67 0.00 0.00 178.83 176.60 2dlv n ASP 119 N -2.01 3.92 -0.35 1.46 5.68 -0.85 -4.45 116.55 119.96 2dlv n ASP 119 Ca -0.00 -0.01 0.17 0.00 -0.50 0.00 0.00 54.79 54.44 2dlv n ASP 119 Cb 0.00 0.08 0.37 0.00 -1.14 0.00 0.00 41.12 40.43 2dlv n ASP 119 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 2dlv h SER 120 N 0.00 0.70 0.13 -1.12 0.02 -0.96 0.29 113.55 112.60 2dlv h SER 120 Ca -0.06 0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 2dlv h SER 120 Cb 1.10 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.65 2dlv h SER 120 CO -0.01 0.15 -0.06 0.22 -1.14 0.00 0.00 176.83 176.00 2dlv h TYR 121 N 0.62 -0.16 -0.92 3.45 3.20 -1.51 -2.13 116.97 119.52 2dlv h TYR 121 Ca 0.62 -0.00 0.27 0.00 3.14 0.00 0.00 58.73 62.76 2dlv h TYR 121 Cb 1.15 0.05 -0.15 0.00 1.54 0.00 0.00 36.73 39.32 2dlv h TYR 121 CO -0.01 -0.10 0.30 1.79 -1.64 0.00 0.00 178.16 178.51 2dlv h THR 122 N -0.48 0.27 -0.13 1.81 1.35 -1.71 0.17 112.91 114.18 2dlv h THR 122 Ca -0.02 -0.07 -0.02 0.00 -0.55 0.00 0.00 66.41 65.76 2dlv h THR 122 Cb 0.13 0.04 -0.01 0.00 -1.73 0.00 0.00 68.15 66.59 2dlv h THR 122 CO 0.03 0.04 0.02 -0.09 -0.25 0.00 0.00 175.52 175.26 2dlv h ARG 123 N 0.20 0.22 -0.62 4.72 1.12 -0.54 -3.13 114.38 116.36 2dlv h ARG 123 Ca 0.61 -0.06 0.12 0.00 -1.11 0.00 0.00 59.98 59.54 2dlv h ARG 123 Cb 1.31 -0.02 -0.12 0.00 -0.01 0.00 0.00 29.97 31.13 2dlv h ARG 123 CO -0.68 0.42 -0.16 0.35 -3.11 0.00 0.00 179.97 176.80 2dlv h PHE 124 N -0.01 -0.33 -0.44 2.20 3.57 0.02 0.77 116.94 122.71 2dlv h PHE 124 Ca 0.04 0.06 0.13 0.00 3.53 0.00 0.00 57.97 61.72 2dlv h PHE 124 Cb 0.31 0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.28 2dlv h PHE 124 CO 0.02 -0.27 0.54 -0.07 -2.23 0.00 0.00 178.31 176.31 2dlv h LEU 125 N -0.00 0.00 0.00 0.59 3.38 -1.34 0.38 115.31 118.32 2dlv h LEU 125 Ca 0.29 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.18 2dlv h LEU 125 Cb 0.45 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 2dlv h LEU 125 CO -0.64 0.00 -2.04 0.29 0.09 0.00 0.00 178.44 176.14 2dlv n LYS 126 N -3.54 0.68 -1.69 1.13 5.02 0.22 -4.65 118.16 115.33 2dlv n LYS 126 Ca 0.08 -0.15 -0.45 0.00 -2.02 0.00 0.00 58.31 55.78 2dlv n LYS 126 Cb 0.72 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 34.20 2dlv n LYS 126 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2dlv n SER 127 N -2.34 3.28 -0.28 4.39 3.41 0.14 -4.83 113.62 117.39 2dlv n SER 127 Ca -0.10 1.10 0.17 0.00 -0.26 0.00 0.00 58.87 59.77 2dlv n SER 127 Cb 0.68 -1.47 0.44 0.00 -0.26 0.00 0.00 64.21 63.60 2dlv n SER 127 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 2dlv h ASP 128 N 5.67 0.55 -0.94 4.04 3.58 -1.91 0.11 116.42 127.52 2dlv h ASP 128 Ca -0.45 0.06 0.16 0.00 0.42 0.00 0.00 57.03 57.22 2dlv h ASP 128 Cb 1.24 -0.04 -0.10 0.00 1.72 0.00 0.00 39.33 42.15 2dlv h ASP 128 CO 0.87 0.22 0.55 0.40 -2.88 0.00 0.00 179.24 178.39 2dlv h ILE 129 N 0.54 0.76 0.25 2.25 2.04 -1.89 0.74 117.51 122.20 2dlv h ILE 129 Ca 0.50 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 66.09 2dlv h ILE 129 Cb 1.06 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 2dlv h ILE 129 CO -0.24 0.14 -0.12 0.22 0.00 0.00 0.00 178.15 178.15 2dlv h TYR 130 N 0.75 -0.31 -0.48 1.37 3.20 -1.19 -2.11 116.97 118.21 2dlv h TYR 130 Ca 0.52 -0.01 0.14 0.00 3.14 0.00 0.00 58.73 62.52 2dlv h TYR 130 Cb 0.72 0.10 -0.02 0.00 1.54 0.00 0.00 36.73 39.08 2dlv h TYR 130 CO -0.04 -0.19 0.42 -0.07 -1.64 0.00 0.00 178.16 176.64 2dlv h LEU 131 N -0.89 0.00 0.28 2.82 3.38 -1.31 -2.38 115.31 117.21 2dlv h LEU 131 Ca -0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2dlv h LEU 131 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2dlv h LEU 131 CO 0.06 0.00 -0.14 -0.78 0.09 0.00 0.00 178.44 177.67 2dlv h ASP 132 N 0.00 -0.32 -1.29 -0.43 1.82 0.45 0.91 116.42 117.55 2dlv h ASP 132 Ca 0.23 0.01 0.43 0.00 -0.39 0.00 0.00 57.03 57.31 2dlv h ASP 132 Cb 1.07 0.08 -0.13 0.00 0.68 0.00 0.00 39.33 41.04 2dlv h ASP 132 CO -0.00 0.08 0.83 0.17 -1.61 0.00 0.00 179.24 178.70 2dlv h LEU 133 N -1.00 0.26 0.05 2.28 8.10 -0.87 0.36 115.31 124.49 2dlv h LEU 133 Ca -0.04 0.14 -0.35 0.00 0.11 0.00 0.00 57.88 57.75 2dlv h LEU 133 Cb 0.29 0.13 -0.04 0.00 -0.44 0.00 0.00 40.66 40.60 2dlv h LEU 133 CO 0.06 -0.19 -2.03 1.15 -4.11 0.00 0.00 178.44 173.33 2dlv n MET 134 N -4.72 0.70 -4.03 0.17 0.00 -1.02 -4.80 117.12 103.41 2dlv n MET 134 Ca 0.37 0.22 -0.33 0.00 0.00 0.00 0.00 57.70 57.97 2dlv n MET 134 Cb 1.40 -1.69 0.01 0.00 0.00 0.00 0.00 33.22 32.95 2dlv n MET 134 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 2dlv n SER 135 N -3.22 -4.32 -4.66 3.17 3.41 0.32 -4.87 113.62 103.45 2dlv n SER 135 Ca -0.29 -0.86 -0.40 0.00 -0.26 0.00 0.00 58.87 57.06 2dlv n SER 135 Cb 1.05 -3.48 0.03 0.00 -0.26 0.00 0.00 64.21 61.55 2dlv n SER 135 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dlv n GLY 136 N -1.59 0.10 3.56 5.00 0.00 -1.25 -4.83 105.19 106.18 2dlv n GLY 136 Ca 0.06 0.05 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 2dlv n GLY 136 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dlv s PRO 137 N -2.43 2.55 -0.09 1.61 0.04 -1.26 -4.79 135.00 130.63 2dlv s PRO 137 Ca 0.68 -0.28 -0.02 0.00 0.04 0.00 0.00 61.00 61.42 2dlv s PRO 137 Cb -0.48 -5.06 -0.01 0.00 0.04 0.00 0.00 34.50 29.00 2dlv s PRO 137 CO 0.53 -3.38 -0.04 0.66 0.04 0.00 0.00 177.00 174.81 2dlv h SER 138 N 11.31 0.00 -2.55 6.66 4.64 -2.01 -3.45 113.55 128.16 2dlv h SER 138 Ca 0.10 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.89 2dlv h SER 138 Cb 1.01 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 63.14 2dlv h SER 138 CO 1.21 0.45 1.10 -0.55 -0.87 0.00 0.00 176.83 178.17 2dlv s SER 139 N -5.08 6.43 0.00 4.97 0.15 -1.26 -5.33 113.70 113.57 2dlv s SER 139 Ca -0.03 2.76 0.00 0.00 0.70 0.00 0.00 55.95 59.37 2dlv s SER 139 Cb 0.00 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 2dlv s SER 139 CO 0.05 -1.00 0.00 0.61 1.20 0.00 0.00 173.24 174.10