#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 6.61 -0.17 1.61 0.01 -1.26 -4.92 113.70 115.58 2dlv s SER 2 Ca 0.00 0.67 0.16 0.00 1.31 0.00 0.00 55.95 58.09 2dlv s SER 2 Cb 0.00 -2.36 0.67 0.00 0.21 0.00 0.00 66.02 64.54 2dlv s SER 2 CO 0.00 -0.47 1.59 -1.20 0.41 0.00 0.00 173.24 173.57 2dlv n SER 3 N 5.89 4.72 -3.56 2.44 7.64 -1.26 -4.69 113.62 124.80 2dlv n SER 3 Ca 0.01 -2.75 -0.33 0.00 1.01 0.00 0.00 58.87 56.81 2dlv n SER 3 Cb 0.49 -0.58 -0.04 0.00 -1.01 0.00 0.00 64.21 63.06 2dlv n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dlv n GLY 4 N 0.42 5.09 3.70 0.23 0.00 -1.26 -5.01 105.19 108.35 2dlv n GLY 4 Ca 0.24 -2.74 -0.06 0.00 0.00 0.00 0.00 46.02 43.46 2dlv n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dlv s SER 5 N -2.32 -0.29 -0.05 1.61 1.04 -1.26 -5.17 113.70 107.25 2dlv s SER 5 Ca 0.38 -0.35 0.03 0.00 0.48 0.00 0.00 55.95 56.50 2dlv s SER 5 Cb 0.13 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.82 2dlv s SER 5 CO 0.01 -1.00 -0.14 -0.55 0.98 0.00 0.00 173.24 172.53 2dlv s SER 6 N -2.84 1.93 0.05 7.02 0.15 -1.26 -5.11 113.70 113.64 2dlv s SER 6 Ca 0.09 -0.32 -0.31 0.00 0.70 0.00 0.00 55.95 56.11 2dlv s SER 6 Cb -0.03 -0.71 -0.06 0.00 -1.71 0.00 0.00 66.02 63.51 2dlv s SER 6 CO -0.00 0.09 1.31 -0.83 1.20 0.00 0.00 173.24 175.01 2dlv s GLY 7 N 0.35 2.11 0.27 9.45 0.00 -1.26 -5.00 107.32 113.24 2dlv s GLY 7 Ca -0.09 0.93 -0.29 0.00 0.00 0.00 0.00 44.72 45.27 2dlv s GLY 7 CO 0.03 2.27 0.97 -0.45 0.00 0.00 0.00 173.10 175.92 2dlv s SER 8 N 1.31 7.47 0.40 1.64 0.15 -1.26 -4.51 113.70 118.90 2dlv s SER 8 Ca 0.62 1.97 0.19 0.00 0.70 0.00 0.00 55.95 59.43 2dlv s SER 8 Cb -0.32 -2.60 0.82 0.00 -1.71 0.00 0.00 66.02 62.21 2dlv s SER 8 CO 0.28 0.03 1.81 1.55 1.20 0.00 0.00 173.24 178.11 2dlv h PRO 9 N 3.77 0.00 -0.94 5.44 0.13 -1.88 -2.82 132.00 135.71 2dlv h PRO 9 Ca -0.46 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.71 2dlv h PRO 9 Cb 1.20 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.28 2dlv h PRO 9 CO 0.67 0.33 0.62 1.05 -0.23 0.00 0.00 178.00 180.44 2dlv h GLU 10 N 0.00 1.14 0.00 0.86 4.11 -1.98 -1.42 114.58 117.29 2dlv h GLU 10 Ca -0.00 -0.07 -0.02 0.00 0.07 0.00 0.00 59.36 59.34 2dlv h GLU 10 Cb 0.74 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 2dlv h GLU 10 CO 0.04 0.75 -0.10 0.93 0.07 0.00 0.00 179.01 180.71 2dlv h GLU 11 N 1.17 0.00 -0.57 1.06 4.39 -1.95 -3.32 114.58 115.36 2dlv h GLU 11 Ca 0.38 0.00 0.10 0.00 0.34 0.00 0.00 59.36 60.18 2dlv h GLU 11 Cb 0.03 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 28.57 2dlv h GLU 11 CO -0.12 0.82 -0.34 0.00 -1.16 0.00 0.00 179.01 178.22 2dlv h ALA 12 N -0.21 -0.07 -0.92 3.43 0.00 -1.42 0.61 119.26 120.68 2dlv h ALA 12 Ca -0.02 0.16 0.26 0.00 0.00 0.00 0.00 54.91 55.30 2dlv h ALA 12 Cb 0.85 0.78 -0.04 0.00 0.00 0.00 0.00 17.79 19.38 2dlv h ALA 12 CO -0.01 -0.69 0.65 -0.24 0.00 0.00 0.00 179.25 178.96 2dlv h VAL 13 N -0.17 0.56 0.17 0.00 3.04 -1.41 -0.23 116.25 118.20 2dlv h VAL 13 Ca 0.22 -0.02 -0.27 0.00 -1.01 0.00 0.00 66.70 65.63 2dlv h VAL 13 Cb 0.55 0.49 0.02 0.00 -2.01 0.00 0.00 31.29 30.33 2dlv h VAL 13 CO -0.67 0.01 -1.24 0.11 -1.01 0.00 0.00 177.57 174.77 2dlv h LYS 14 N 0.06 0.35 -0.97 4.17 1.57 -0.05 -3.34 116.57 118.37 2dlv h LYS 14 Ca 0.45 -0.61 0.32 0.00 -1.87 0.00 0.00 60.65 58.94 2dlv h LYS 14 Cb 1.67 0.23 -0.16 0.00 0.08 0.00 0.00 32.23 34.04 2dlv h LYS 14 CO -0.04 1.29 0.36 -1.49 -0.57 0.00 0.00 179.45 179.00 2dlv h TRP 15 N -0.18 0.53 -0.90 -1.35 4.06 0.12 0.79 115.95 119.03 2dlv h TRP 15 Ca -0.24 0.05 0.13 0.00 2.06 0.00 0.00 58.89 60.89 2dlv h TRP 15 Cb 1.85 -0.07 -0.07 0.00 -1.00 0.00 0.00 29.16 29.87 2dlv h TRP 15 CO 0.15 -0.34 0.58 0.78 -3.56 0.00 0.00 178.44 176.06 2dlv h GLY 16 N 0.13 1.28 -0.73 1.49 0.00 -1.64 -2.87 103.07 100.73 2dlv h GLY 16 Ca 0.69 -0.33 0.07 0.00 0.00 0.00 0.00 47.33 47.77 2dlv h GLY 16 CO -0.74 0.12 -0.41 1.18 0.00 0.00 0.00 176.54 176.69 2dlv n GLU 17 N -4.56 -0.30 -3.71 4.80 -0.58 0.27 -4.62 120.64 111.94 2dlv n GLU 17 Ca 0.17 1.10 -0.13 0.00 -0.42 0.00 0.00 57.16 57.88 2dlv n GLU 17 Cb 0.42 -1.62 -0.07 0.00 -0.57 0.00 0.00 31.44 29.60 2dlv n GLU 17 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2dlv s SER 18 N -5.35 -0.24 0.17 1.62 0.01 -1.08 -5.06 113.70 103.77 2dlv s SER 18 Ca -0.09 0.04 -0.15 0.00 1.31 0.00 0.00 55.95 57.07 2dlv s SER 18 Cb 0.09 0.37 0.10 0.00 0.21 0.00 0.00 66.02 66.79 2dlv s SER 18 CO 0.46 -0.57 1.77 0.15 0.41 0.00 0.00 173.24 175.46 2dlv h PHE 19 N 3.38 0.34 -0.29 2.43 3.57 -1.82 -2.55 116.94 122.00 2dlv h PHE 19 Ca -0.30 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.27 2dlv h PHE 19 Cb 1.19 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 39.79 2dlv h PHE 19 CO 0.46 0.15 -0.02 0.38 -2.23 0.00 0.00 178.31 177.05 2dlv h ASP 20 N 0.38 -0.16 -0.94 0.41 3.04 -1.97 -1.98 116.42 115.19 2dlv h ASP 20 Ca 0.19 0.07 0.28 0.00 -3.24 0.00 0.00 57.03 54.33 2dlv h ASP 20 Cb 0.14 0.13 -0.17 0.00 -1.04 0.00 0.00 39.33 38.40 2dlv h ASP 20 CO -0.17 -0.05 0.18 0.11 -2.04 0.00 0.00 179.24 177.28 2dlv h LYS 21 N 0.06 0.08 0.97 4.15 1.57 -1.75 -0.23 116.57 121.43 2dlv h LYS 21 Ca 0.14 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.87 2dlv h LYS 21 Cb 0.19 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.49 2dlv h LYS 21 CO -0.25 0.06 -0.47 1.25 -0.57 0.00 0.00 179.45 179.47 2dlv h LEU 22 N 0.09 -1.11 -0.78 2.94 5.85 -1.33 -3.10 115.31 117.87 2dlv h LEU 22 Ca 0.61 0.04 0.15 0.00 0.84 0.00 0.00 57.88 59.52 2dlv h LEU 22 Cb 1.32 0.29 -0.14 0.00 0.37 0.00 0.00 40.66 42.49 2dlv h LEU 22 CO -0.79 -0.78 -0.26 -0.07 -0.34 0.00 0.00 178.44 176.20 2dlv h LEU 23 N -1.33 -0.95 -0.87 2.25 3.38 -0.95 0.27 115.31 117.11 2dlv h LEU 23 Ca -0.13 0.25 0.36 0.00 0.09 0.00 0.00 57.88 58.44 2dlv h LEU 23 Cb 1.00 0.56 -0.16 0.00 0.09 0.00 0.00 40.66 42.15 2dlv h LEU 23 CO 0.22 -0.28 0.44 -0.24 0.09 0.00 0.00 178.44 178.67 2dlv n SER 24 N -5.49 0.28 -4.71 -0.43 2.88 -0.59 -4.01 113.62 101.54 2dlv n SER 24 Ca 0.09 1.44 -0.38 0.00 -1.33 0.00 0.00 58.87 58.69 2dlv n SER 24 Cb 0.39 -0.69 -0.06 0.00 -0.75 0.00 0.00 64.21 63.11 2dlv n SER 24 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 2dlv s HIS 25 N -5.35 3.50 0.05 0.66 5.65 0.95 -5.00 115.29 115.75 2dlv s HIS 25 Ca -0.08 0.93 -0.22 0.00 0.25 0.00 0.00 55.06 55.94 2dlv s HIS 25 Cb 0.29 -2.62 -0.11 0.00 -1.18 0.00 0.00 32.58 28.97 2dlv s HIS 25 CO 0.68 0.10 1.34 -0.09 -0.65 0.00 0.00 174.74 176.12 2dlv h ARG 26 N 6.86 -0.61 -0.98 2.88 2.43 -1.81 -0.94 114.38 122.21 2dlv h ARG 26 Ca -0.40 0.04 0.18 0.00 -0.81 0.00 0.00 59.98 58.99 2dlv h ARG 26 Cb 1.18 0.14 -0.18 0.00 -0.42 0.00 0.00 29.97 30.69 2dlv h ARG 26 CO 0.75 -0.41 -0.30 -0.44 -1.51 0.00 0.00 179.97 178.07 2dlv h ASP 27 N -0.63 -1.11 0.00 -3.80 3.32 -1.92 0.19 116.42 112.46 2dlv h ASP 27 Ca -0.04 0.30 0.01 0.00 0.02 0.00 0.00 57.03 57.32 2dlv h ASP 27 Cb 0.54 0.66 -0.02 0.00 0.22 0.00 0.00 39.33 40.74 2dlv h ASP 27 CO -0.02 -0.31 -0.08 1.23 -1.72 0.00 0.00 179.24 178.34 2dlv h GLY 28 N -0.00 -0.09 0.48 2.75 0.00 -1.74 -2.47 103.07 101.99 2dlv h GLY 28 Ca 0.42 0.09 0.08 0.00 0.00 0.00 0.00 47.33 47.93 2dlv h GLY 28 CO -0.99 -0.09 0.26 -2.00 0.00 0.00 0.00 176.54 173.72 2dlv h LEU 29 N -0.14 0.31 0.24 3.11 5.85 0.68 -2.36 115.31 123.00 2dlv h LEU 29 Ca 0.03 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 2dlv h LEU 29 Cb 0.18 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 2dlv h LEU 29 CO -0.08 0.19 -0.40 -0.33 -0.34 0.00 0.00 178.44 177.48 2dlv h GLU 30 N 0.47 -0.66 -0.67 1.25 5.08 -0.63 -2.71 114.58 116.73 2dlv h GLU 30 Ca 0.30 0.04 0.12 0.00 -1.00 0.00 0.00 59.36 58.82 2dlv h GLU 30 Cb 0.32 0.15 -0.12 0.00 0.50 0.00 0.00 28.75 29.60 2dlv h GLU 30 CO -0.27 -0.44 -0.32 0.00 -1.00 0.00 0.00 179.01 176.98 2dlv h ALA 31 N -0.95 0.06 -0.91 3.43 0.00 -1.22 0.13 119.26 119.79 2dlv h ALA 31 Ca -0.03 0.20 0.25 0.00 0.00 0.00 0.00 54.91 55.32 2dlv h ALA 31 Cb 0.63 0.78 -0.16 0.00 0.00 0.00 0.00 17.79 19.04 2dlv h ALA 31 CO -0.13 -0.63 0.10 0.35 0.00 0.00 0.00 179.25 178.93 2dlv h PHE 32 N -0.12 0.09 -0.51 0.00 3.57 -1.13 0.42 116.94 119.26 2dlv h PHE 32 Ca 0.26 0.06 0.02 0.00 3.53 0.00 0.00 57.97 61.85 2dlv h PHE 32 Cb 0.56 0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.37 2dlv h PHE 32 CO -0.66 -0.33 0.30 1.15 -2.23 0.00 0.00 178.31 176.54 2dlv h THR 33 N 0.08 1.05 0.23 4.41 2.02 -0.45 -2.74 112.91 117.50 2dlv h THR 33 Ca 0.56 -0.21 0.01 0.00 0.77 0.00 0.00 66.41 67.53 2dlv h THR 33 Cb 1.13 0.39 -0.04 0.00 -1.74 0.00 0.00 68.15 67.89 2dlv h THR 33 CO -0.79 0.11 -0.52 0.03 0.37 0.00 0.00 175.52 174.72 2dlv h ARG 34 N 0.60 -0.79 -1.00 6.66 3.08 0.09 0.28 114.38 123.30 2dlv h ARG 34 Ca 0.21 0.05 0.27 0.00 0.07 0.00 0.00 59.98 60.58 2dlv h ARG 34 Cb 0.02 0.18 -0.13 0.00 0.08 0.00 0.00 29.97 30.12 2dlv h ARG 34 CO -0.09 -0.53 0.58 0.35 -1.07 0.00 0.00 179.97 179.21 2dlv h PHE 35 N -0.82 0.98 -0.21 3.04 3.57 -1.33 0.14 116.94 122.30 2dlv h PHE 35 Ca -0.02 0.04 -0.11 0.00 3.53 0.00 0.00 57.97 61.40 2dlv h PHE 35 Cb 0.79 -0.27 -0.00 0.00 2.79 0.00 0.00 35.95 39.26 2dlv h PHE 35 CO -0.40 -0.02 -0.31 -0.07 -2.23 0.00 0.00 178.31 175.28 2dlv h LEU 36 N 0.49 0.64 -0.77 0.59 3.38 -0.98 -3.23 115.31 115.43 2dlv h LEU 36 Ca 0.68 -0.51 0.15 0.00 0.09 0.00 0.00 57.88 58.28 2dlv h LEU 36 Cb 1.38 -0.18 -0.15 0.00 0.09 0.00 0.00 40.66 41.80 2dlv h LEU 36 CO -0.52 1.03 -0.19 0.11 0.09 0.00 0.00 178.44 178.96 2dlv h LYS 37 N 0.27 0.00 -0.93 1.13 1.57 0.24 0.57 116.57 119.42 2dlv h LYS 37 Ca 0.02 -0.00 0.13 0.00 -1.87 0.00 0.00 60.65 58.94 2dlv h LYS 37 Cb 0.89 -0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.12 2dlv h LYS 37 CO 0.07 0.00 0.59 1.79 -0.57 0.00 0.00 179.45 181.33 2dlv h THR 38 N 0.00 0.86 -0.46 -0.16 1.35 -1.51 0.33 112.91 113.32 2dlv h THR 38 Ca 0.37 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.96 2dlv h THR 38 Cb 0.56 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.98 2dlv h THR 38 CO -0.79 0.15 0.00 -0.62 -0.25 0.00 0.00 175.52 174.01 2dlv n GLU 39 N -4.58 2.23 -3.36 4.72 -0.58 0.18 -4.91 120.64 114.33 2dlv n GLU 39 Ca 0.18 -1.73 -0.24 0.00 -0.42 0.00 0.00 57.16 54.95 2dlv n GLU 39 Cb 0.43 -1.43 0.01 0.00 -0.57 0.00 0.00 31.44 29.88 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 0.83 -1.91 0.13 -0.32 3.72 0.11 -4.82 117.46 115.21 2dlv n PHE 40 Ca 0.16 0.55 0.01 0.00 -0.05 0.00 0.00 57.45 58.12 2dlv n PHE 40 Cb 0.44 -3.47 0.01 0.00 -0.94 0.00 0.00 39.48 35.52 2dlv n PHE 40 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2dlv n SER 41 N -2.43 1.15 -0.32 4.37 2.88 -0.51 -4.70 113.62 114.05 2dlv n SER 41 Ca -0.03 -1.07 0.20 0.00 -1.33 0.00 0.00 58.87 56.63 2dlv n SER 41 Cb 0.56 0.09 0.41 0.00 -0.75 0.00 0.00 64.21 64.52 2dlv n SER 41 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 2dlv h GLU 42 N 0.54 0.29 -1.56 -1.46 -0.00 -1.81 0.34 114.58 110.91 2dlv h GLU 42 Ca 0.00 -0.02 0.48 0.00 -0.00 0.00 0.00 59.36 59.82 2dlv h GLU 42 Cb 0.12 -0.07 -0.10 0.00 -0.00 0.00 0.00 28.75 28.70 2dlv h GLU 42 CO 0.00 0.19 1.07 1.05 -0.00 0.00 0.00 179.01 181.32 2dlv h GLU 43 N 0.30 0.04 -0.81 1.06 4.11 -1.90 0.74 114.58 118.12 2dlv h GLU 43 Ca 0.67 -0.00 0.13 0.00 0.07 0.00 0.00 59.36 60.22 2dlv h GLU 43 Cb 1.45 -0.01 -0.09 0.00 0.50 0.00 0.00 28.75 30.61 2dlv h GLU 43 CO -0.62 0.02 0.41 -0.91 0.07 0.00 0.00 179.01 177.99 2dlv h ASN 44 N 0.04 0.51 1.01 3.06 4.21 -0.64 -1.14 115.58 122.64 2dlv h ASN 44 Ca 0.85 0.08 -0.16 0.00 1.21 0.00 0.00 56.30 58.28 2dlv h ASN 44 Cb 3.02 -0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 40.19 2dlv h ASN 44 CO -0.23 0.24 -1.05 -0.29 -1.29 0.00 0.00 177.43 174.81 2dlv h ILE 45 N 0.63 0.83 -0.92 2.81 6.09 0.30 -3.31 117.51 123.93 2dlv h ILE 45 Ca 0.43 -2.33 0.12 0.00 -1.37 0.00 0.00 64.86 61.71 2dlv h ILE 45 Cb 0.55 2.32 -0.07 0.00 0.47 0.00 0.00 36.82 40.09 2dlv h ILE 45 CO -0.33 0.47 0.59 -0.33 -3.07 0.00 0.00 178.15 175.48 2dlv h GLU 46 N 0.00 0.81 -0.03 2.19 4.39 -0.47 -2.02 114.58 119.44 2dlv h GLU 46 Ca -0.09 -0.05 -0.11 0.00 0.34 0.00 0.00 59.36 59.44 2dlv h GLU 46 Cb 1.57 -0.18 0.01 0.00 -0.10 0.00 0.00 28.75 30.05 2dlv h GLU 46 CO 0.07 0.54 -0.42 0.35 -1.16 0.00 0.00 179.01 178.38 2dlv h PHE 47 N 0.83 0.49 -0.52 4.33 3.57 -1.58 -3.04 116.94 121.03 2dlv h PHE 47 Ca 0.45 -0.24 0.10 0.00 3.53 0.00 0.00 57.97 61.81 2dlv h PHE 47 Cb 0.57 -0.06 -0.10 0.00 2.79 0.00 0.00 35.95 39.14 2dlv h PHE 47 CO -0.00 1.03 -0.22 2.35 -2.23 0.00 0.00 178.31 179.24 2dlv h TRP 48 N -0.19 -0.54 0.01 0.41 7.01 -1.48 -0.88 115.95 120.29 2dlv h TRP 48 Ca -0.04 0.05 0.00 0.00 2.11 0.00 0.00 58.89 61.02 2dlv h TRP 48 Cb 1.12 0.32 -0.01 0.00 -2.10 0.00 0.00 29.16 28.49 2dlv h TRP 48 CO 0.15 -0.30 -0.04 0.82 -2.79 0.00 0.00 178.44 176.28 2dlv h ILE 49 N -0.10 0.91 -0.65 2.65 2.04 -1.49 -2.80 117.51 118.08 2dlv h ILE 49 Ca 0.24 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.24 2dlv h ILE 49 Cb 0.47 0.91 -0.11 0.00 -0.74 0.00 0.00 36.82 37.35 2dlv h ILE 49 CO -0.58 0.00 -0.00 0.00 0.00 0.00 0.00 178.15 177.57 2dlv h ALA 50 N 0.91 0.64 -0.90 1.87 0.00 -1.16 0.67 119.26 121.29 2dlv h ALA 50 Ca 0.01 0.20 0.22 0.00 0.00 0.00 0.00 54.91 55.34 2dlv h ALA 50 Cb 0.08 0.35 -0.12 0.00 0.00 0.00 0.00 17.79 18.10 2dlv h ALA 50 CO -0.03 -0.40 0.41 0.00 0.00 0.00 0.00 179.25 179.24 2dlv h GLU 52 N 0.43 -0.70 -0.63 0.00 4.39 -0.84 -2.99 114.58 114.24 2dlv h GLU 52 Ca 0.56 0.05 0.12 0.00 0.34 0.00 0.00 59.36 60.42 2dlv h GLU 52 Cb 1.04 0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 29.81 2dlv h GLU 52 CO -0.51 -0.39 0.43 0.22 -1.16 0.00 0.00 179.01 177.59 2dlv h ASP 53 N -0.98 0.33 -0.80 1.42 1.82 -0.85 -0.45 116.42 116.92 2dlv h ASP 53 Ca -0.07 0.01 0.03 0.00 -0.39 0.00 0.00 57.03 56.61 2dlv h ASP 53 Cb 0.63 -0.06 -0.04 0.00 0.68 0.00 0.00 39.33 40.54 2dlv h ASP 53 CO 0.12 0.19 0.52 0.15 -1.61 0.00 0.00 179.24 178.62 2dlv h PHE 54 N 0.36 0.95 -0.42 0.28 3.04 -0.27 -2.29 116.94 118.60 2dlv h PHE 54 Ca 0.30 0.02 -0.05 0.00 3.98 0.00 0.00 57.97 62.22 2dlv h PHE 54 Cb 0.68 -0.32 -0.02 0.00 2.56 0.00 0.00 35.95 38.85 2dlv h PHE 54 CO -0.00 0.55 0.07 0.87 -2.02 0.00 0.00 178.31 177.78 2dlv h LYS 55 N 0.98 0.69 -0.97 1.11 1.57 -0.94 -2.96 116.57 116.05 2dlv h LYS 55 Ca 0.32 -0.18 0.34 0.00 -1.87 0.00 0.00 60.65 59.26 2dlv h LYS 55 Cb 0.03 -0.08 -0.11 0.00 0.08 0.00 0.00 32.23 32.15 2dlv h LYS 55 CO -0.09 0.73 0.61 1.63 -0.57 0.00 0.00 179.45 181.76 2dlv n LYS 56 N -4.50 -0.03 -1.57 3.15 5.02 -0.86 -4.43 118.16 114.94 2dlv n LYS 56 Ca -0.00 0.94 -0.39 0.00 -2.02 0.00 0.00 58.31 56.83 2dlv n LYS 56 Cb 0.24 -1.82 0.04 0.00 -0.02 0.00 0.00 35.03 33.47 2dlv n LYS 56 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2dlv n SER 57 N -4.24 0.30 -0.01 4.39 3.41 -1.12 -4.94 113.62 111.41 2dlv n SER 57 Ca 0.29 0.85 -0.02 0.00 -0.26 0.00 0.00 58.87 59.73 2dlv n SER 57 Cb 1.12 -1.31 -0.01 0.00 -0.26 0.00 0.00 64.21 63.75 2dlv n SER 57 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 2dlv n LYS 58 N -0.39 1.26 -3.05 4.33 2.85 -1.26 -5.01 118.16 116.89 2dlv n LYS 58 Ca 0.12 0.01 -0.20 0.00 -1.05 0.00 0.00 58.31 57.19 2dlv n LYS 58 Cb 0.45 -1.05 0.01 0.00 -0.65 0.00 0.00 35.03 33.79 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 -3.92 1.74 0.19 2.58 0.00 -1.26 -5.03 107.32 101.62 2dlv s GLY 59 Ca -0.03 -1.40 -0.05 0.00 0.00 0.00 0.00 44.72 43.24 2dlv s GLY 59 CO 0.07 -1.23 1.54 -0.56 0.00 0.00 0.00 173.10 172.92 2dlv h PRO 60 N 0.53 0.72 -0.47 2.90 0.13 -2.00 -3.24 132.00 130.58 2dlv h PRO 60 Ca -0.43 -0.38 0.05 0.00 -0.87 0.00 0.00 66.00 64.37 2dlv h PRO 60 Cb 1.27 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 32.34 2dlv h PRO 60 CO 0.51 0.99 -0.39 0.37 -0.23 0.00 0.00 178.00 179.25 2dlv h GLN 61 N 0.59 -0.14 0.17 0.86 -0.00 -2.00 0.03 115.11 114.61 2dlv h GLN 61 Ca 0.05 0.01 -0.01 0.00 -0.00 0.00 0.00 58.65 58.70 2dlv h GLN 61 Cb 0.95 0.03 -0.01 0.00 0.00 0.00 0.00 27.48 28.45 2dlv h GLN 61 CO 0.09 -0.10 -0.16 0.37 0.00 0.00 0.00 178.83 179.03 2dlv h GLN 62 N -0.15 -0.31 -0.17 1.69 5.75 -2.00 -2.42 115.11 117.51 2dlv h GLN 62 Ca 0.08 0.02 0.01 0.00 -0.15 0.00 0.00 58.65 58.61 2dlv h GLN 62 Cb 0.35 0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.95 2dlv h GLN 62 CO -0.52 -0.21 -0.10 -0.89 -2.65 0.00 0.00 178.83 174.47 2dlv n ILE 63 N -3.28 -0.11 -0.32 2.39 5.41 -1.07 0.93 119.36 123.30 2dlv n ILE 63 Ca -0.04 1.24 0.12 0.00 1.00 0.00 0.00 62.75 65.08 2dlv n ILE 63 Cb 0.15 -1.62 0.26 0.00 -0.71 0.00 0.00 39.64 37.72 2dlv n ILE 63 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 176.55 177.00 2dlv h HIS 64 N 0.00 -0.02 0.30 1.39 3.86 -0.99 0.24 115.15 119.93 2dlv h HIS 64 Ca 0.03 0.07 -0.01 0.00 -1.16 0.00 0.00 60.37 59.29 2dlv h HIS 64 Cb 0.07 0.16 0.00 0.00 1.06 0.00 0.00 27.41 28.70 2dlv h HIS 64 CO -0.70 -0.37 -0.14 -0.07 0.86 0.00 0.00 177.93 177.50 2dlv h LEU 65 N 0.05 -0.34 -0.99 2.43 4.07 0.11 -3.10 115.31 117.53 2dlv h LEU 65 Ca 0.55 0.01 0.34 0.00 0.08 0.00 0.00 57.88 58.87 2dlv h LEU 65 Cb 1.11 0.09 -0.18 0.00 1.08 0.00 0.00 40.66 42.76 2dlv h LEU 65 CO -0.85 -0.15 0.32 0.11 -1.08 0.00 0.00 178.44 176.80 2dlv h LYS 66 N -0.60 0.05 -0.21 1.13 1.57 0.83 0.41 116.57 119.75 2dlv h LYS 66 Ca -0.04 -0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.79 2dlv h LYS 66 Cb 0.31 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.55 2dlv h LYS 66 CO 0.07 0.03 -0.17 0.00 -0.57 0.00 0.00 179.45 178.81 2dlv h ALA 67 N 1.96 -0.02 0.24 3.86 0.00 -0.57 0.21 119.26 124.94 2dlv h ALA 67 Ca 0.72 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.70 2dlv h ALA 67 Cb 1.72 0.36 0.00 0.00 0.00 0.00 0.00 17.79 19.87 2dlv h ALA 67 CO -0.81 -0.59 -0.12 -0.22 0.00 0.00 0.00 179.25 177.52 2dlv h LYS 68 N -0.17 -0.31 0.18 0.00 3.64 -0.13 0.26 116.57 120.04 2dlv h LYS 68 Ca 0.13 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.54 2dlv h LYS 68 Cb 0.36 0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.21 2dlv h LYS 68 CO -0.31 -0.19 -0.40 0.00 -2.27 0.00 0.00 179.45 176.28 2dlv h ALA 69 N 0.42 -0.74 0.00 5.00 0.00 -1.01 -0.42 119.26 122.51 2dlv h ALA 69 Ca -0.03 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 2dlv h ALA 69 Cb 0.26 0.64 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 2dlv h ALA 69 CO 0.05 -0.97 -0.09 0.82 0.00 0.00 0.00 179.25 179.07 2dlv h ILE 70 N -0.67 0.94 0.09 0.00 2.04 -0.56 -2.05 117.51 117.30 2dlv h ILE 70 Ca 0.01 -0.30 -0.00 0.00 1.00 0.00 0.00 64.86 65.56 2dlv h ILE 70 Cb 0.67 1.17 0.00 0.00 -0.74 0.00 0.00 36.82 37.92 2dlv h ILE 70 CO -0.19 0.08 -0.05 0.22 0.00 0.00 0.00 178.15 178.21 2dlv h TYR 71 N 0.00 -0.12 0.00 1.37 5.03 0.66 0.18 116.97 124.09 2dlv h TYR 71 Ca -0.00 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 2dlv h TYR 71 Cb 0.16 0.04 0.00 0.00 1.55 0.00 0.00 36.73 38.48 2dlv h TYR 71 CO 0.00 -0.07 0.00 0.39 -1.32 0.00 0.00 178.16 177.16 2dlv n GLU 72 N -2.45 0.05 -0.11 1.82 1.02 -0.28 -0.17 120.64 120.52 2dlv n GLU 72 Ca -0.02 0.15 -0.22 0.00 -0.02 0.00 0.00 57.16 57.06 2dlv n GLU 72 Cb 0.05 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 29.88 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 -1.17 0.56 -0.02 3.49 4.81 -0.78 -4.30 118.16 120.76 2dlv n LYS 73 Ca 0.01 0.45 -0.06 0.00 -0.87 0.00 0.00 58.31 57.84 2dlv n LYS 73 Cb 0.01 -1.64 -0.02 0.00 0.02 0.00 0.00 35.03 33.41 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 -4.40 0.00 -0.01 5.64 3.01 0.04 -2.33 117.46 119.41 2dlv n PHE 74 Ca -0.35 0.00 -0.00 0.00 1.01 0.00 0.00 57.45 58.10 2dlv n PHE 74 Cb 0.69 -0.20 -0.00 0.00 -0.01 0.00 0.00 39.48 39.96 2dlv n PHE 74 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 2dlv h ILE 75 N -0.23 0.00 -3.80 4.37 1.08 -0.52 -3.04 117.51 115.37 2dlv h ILE 75 Ca -0.12 0.00 -0.54 0.00 -0.39 0.00 0.00 64.86 63.82 2dlv h ILE 75 Cb 0.91 0.00 0.20 0.00 -3.07 0.00 0.00 36.82 34.86 2dlv h ILE 75 CO -0.07 0.00 -0.11 0.00 -0.69 0.00 0.00 178.15 177.28 2dlv n GLN 76 N -2.94 -0.10 0.03 2.37 10.64 0.14 -4.79 117.38 122.74 2dlv n GLN 76 Ca -0.00 0.03 0.00 0.00 -1.83 0.00 0.00 57.00 55.21 2dlv n GLN 76 Cb 0.01 -2.14 -0.08 0.00 -0.86 0.00 0.00 30.24 27.17 2dlv n GLN 76 CO 0.00 0.00 0.00 2.41 -1.83 0.00 0.00 177.06 177.64 2dlv n THR 77 N -3.47 1.16 1.11 -0.39 -1.04 -1.26 -3.89 114.28 106.50 2dlv n THR 77 Ca 0.10 -0.69 0.00 0.00 -2.04 0.00 0.00 64.05 61.42 2dlv n THR 77 Cb 0.52 -0.72 0.00 0.00 -1.82 0.00 0.00 70.33 68.31 2dlv n THR 77 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2dlv n ASP 78 N -2.87 0.74 -4.93 8.00 2.03 -1.26 -4.79 116.55 113.46 2dlv n ASP 78 Ca -0.10 -1.84 -0.28 0.00 0.52 0.00 0.00 54.79 53.09 2dlv n ASP 78 Cb 0.84 -0.37 -0.03 0.00 -0.72 0.00 0.00 41.12 40.83 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 -1.20 3.93 0.30 -1.67 0.00 -1.25 -5.01 121.76 116.86 2dlv s ALA 79 Ca 0.00 -0.89 0.14 0.00 0.00 0.00 0.00 51.96 51.20 2dlv s ALA 79 Cb 0.00 -1.88 0.63 0.00 0.00 0.00 0.00 23.12 21.88 2dlv s ALA 79 CO 0.00 0.59 1.75 -1.00 0.00 0.00 0.00 175.76 177.11 2dlv h PRO 80 N 2.39 0.00 -0.30 0.00 0.13 -1.84 -2.95 132.00 129.42 2dlv h PRO 80 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2dlv h PRO 80 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2dlv h PRO 80 CO 0.71 0.44 0.00 1.63 -0.23 0.00 0.00 178.00 180.55 2dlv n LYS 81 N -3.87 3.04 -1.66 0.86 4.76 -1.17 -5.02 118.16 115.09 2dlv n LYS 81 Ca -0.01 -2.71 -0.50 0.00 -2.87 0.00 0.00 58.31 52.21 2dlv n LYS 81 Cb 0.48 -1.76 -0.05 0.00 -1.84 0.00 0.00 35.03 31.86 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 -0.21 1.68 -3.71 1.97 0.00 -0.98 -4.46 120.64 114.93 2dlv n GLU 82 Ca 0.20 0.61 -0.25 0.00 0.00 0.00 0.00 57.16 57.72 2dlv n GLU 82 Cb 0.82 -2.35 0.01 0.00 0.00 0.00 0.00 31.44 29.92 2dlv n GLU 82 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.13 177.27 2dlv s VAL 83 N 2.03 1.78 -0.60 3.84 -7.23 -1.15 -4.98 120.40 114.09 2dlv s VAL 83 Ca 0.87 -1.39 -0.22 0.00 -1.81 0.00 0.00 61.98 59.43 2dlv s VAL 83 Cb -0.83 -2.17 0.06 0.00 0.56 0.00 0.00 36.38 34.00 2dlv s VAL 83 CO 0.49 0.00 0.87 0.21 -0.31 0.00 0.00 175.10 176.36 2dlv s ASN 84 N -4.35 6.23 -0.02 4.85 2.47 -1.26 -4.92 114.94 117.94 2dlv s ASN 84 Ca 0.40 -0.86 0.02 0.00 0.42 0.00 0.00 52.86 52.84 2dlv s ASN 84 Cb -0.03 -2.39 -0.03 0.00 -1.45 0.00 0.00 41.25 37.35 2dlv s ASN 84 CO 0.25 -1.26 -0.05 -0.76 -3.72 0.00 0.00 177.10 171.56 2dlv s LEU 85 N 3.64 3.26 0.44 3.21 1.43 -1.26 -4.76 118.68 124.65 2dlv s LEU 85 Ca 0.22 -0.07 -0.23 0.00 -1.03 0.00 0.00 54.13 53.01 2dlv s LEU 85 Cb -0.17 -1.83 -0.10 0.00 0.03 0.00 0.00 46.19 44.12 2dlv s LEU 85 CO 0.12 0.31 0.93 -0.67 0.23 0.00 0.00 176.35 177.27 2dlv n ASP 86 N 1.70 0.85 -0.01 2.29 2.03 -1.26 -4.67 116.55 117.47 2dlv n ASP 86 Ca -0.16 0.99 -0.12 0.00 0.52 0.00 0.00 54.79 56.01 2dlv n ASP 86 Cb 0.53 -1.32 -0.06 0.00 -0.72 0.00 0.00 41.12 39.55 2dlv n ASP 86 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 2dlv h PHE 87 N 1.29 -1.23 0.37 -0.67 3.04 -1.99 0.23 116.94 117.99 2dlv h PHE 87 Ca -0.44 0.05 -0.02 0.00 3.98 0.00 0.00 57.97 61.54 2dlv h PHE 87 Cb 1.35 0.56 -0.00 0.00 2.56 0.00 0.00 35.95 40.42 2dlv h PHE 87 CO 0.42 -0.48 -0.26 1.25 -2.02 0.00 0.00 178.31 177.22 2dlv h HIS 88 N -0.48 -0.69 -0.81 0.41 2.76 -1.99 -1.98 115.15 112.36 2dlv h HIS 88 Ca 0.08 -0.00 0.13 0.00 -2.20 0.00 0.00 60.37 58.38 2dlv h HIS 88 Cb 0.62 0.25 -0.14 0.00 1.55 0.00 0.00 27.41 29.70 2dlv h HIS 88 CO -0.51 -0.37 -0.37 1.15 -1.30 0.00 0.00 177.93 176.53 2dlv h THR 89 N -0.60 0.08 -0.73 6.26 2.02 -1.90 0.42 112.91 118.46 2dlv h THR 89 Ca -0.05 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.28 2dlv h THR 89 Cb 0.49 0.08 -0.10 0.00 -1.74 0.00 0.00 68.15 66.87 2dlv h THR 89 CO 0.03 0.00 0.21 0.50 0.37 0.00 0.00 175.52 176.63 2dlv h LYS 90 N -0.08 0.31 0.38 6.66 3.64 -0.45 -1.52 116.57 125.51 2dlv h LYS 90 Ca 0.29 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.63 2dlv h LYS 90 Cb 0.58 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 2dlv h LYS 90 CO -0.85 0.20 -0.18 1.49 -2.27 0.00 0.00 179.45 177.84 2dlv h GLU 91 N 0.32 -0.49 -0.78 1.90 4.57 0.41 -2.87 114.58 117.63 2dlv h GLU 91 Ca 0.41 0.03 0.19 0.00 -1.18 0.00 0.00 59.36 58.82 2dlv h GLU 91 Cb 0.67 0.11 -0.15 0.00 -0.16 0.00 0.00 28.75 29.23 2dlv h GLU 91 CO -0.47 -0.33 -0.06 0.28 -1.18 0.00 0.00 179.01 177.25 2dlv n VAL 92 N -4.33 -0.33 -0.05 0.32 0.31 0.10 0.14 118.33 114.49 2dlv n VAL 92 Ca -0.06 1.75 -0.10 0.00 -0.01 0.00 0.00 64.34 65.91 2dlv n VAL 92 Cb 0.20 -2.51 -0.04 0.00 -0.91 0.00 0.00 33.84 30.59 2dlv n VAL 92 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2dlv h ILE 93 N 0.00 1.11 -0.83 2.52 2.04 -1.33 0.47 117.51 121.49 2dlv h ILE 93 Ca 0.44 -0.30 0.17 0.00 1.00 0.00 0.00 64.86 66.18 2dlv h ILE 93 Cb 0.84 0.93 -0.11 0.00 -0.74 0.00 0.00 36.82 37.74 2dlv h ILE 93 CO -0.76 0.11 0.35 0.74 0.00 0.00 0.00 178.15 178.59 2dlv h THR 94 N 0.23 0.59 0.04 -0.27 2.02 0.15 1.85 112.91 117.52 2dlv h THR 94 Ca 0.07 -0.16 -0.25 0.00 0.77 0.00 0.00 66.41 66.85 2dlv h THR 94 Cb 0.07 0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 66.56 2dlv h THR 94 CO -0.01 0.08 -1.23 0.78 0.37 0.00 0.00 175.52 175.51 2dlv h ASN 95 N 0.45 0.15 -0.50 4.18 2.35 -1.09 -3.26 115.58 117.86 2dlv h ASN 95 Ca 0.48 -0.18 0.00 0.00 -0.55 0.00 0.00 56.30 56.05 2dlv h ASN 95 Cb 0.80 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.12 2dlv h ASN 95 CO -0.45 1.14 0.00 -1.20 -1.65 0.00 0.00 177.43 175.27 2dlv n SER 96 N -3.36 4.50 0.00 5.81 7.64 0.16 -4.25 113.62 124.12 2dlv n SER 96 Ca -0.07 -2.59 0.10 0.00 1.01 0.00 0.00 58.87 57.33 2dlv n SER 96 Cb 0.99 -0.60 0.51 0.00 -1.01 0.00 0.00 64.21 64.10 2dlv n SER 96 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dlv n ILE 97 N 0.68 0.39 0.04 0.44 0.13 0.61 -1.91 119.36 119.74 2dlv n ILE 97 Ca 0.22 0.10 0.07 0.00 -1.10 0.00 0.00 62.75 62.04 2dlv n ILE 97 Cb 0.91 -0.76 -0.11 0.00 -0.84 0.00 0.00 39.64 38.85 2dlv n ILE 97 CO 0.00 0.00 0.00 1.07 2.80 0.00 0.00 176.55 180.42 2dlv n THR 98 N -1.30 0.00 -1.40 9.51 5.66 -1.26 -4.49 114.28 121.00 2dlv n THR 98 Ca 0.09 -0.31 0.05 0.00 -3.05 0.00 0.00 64.05 60.83 2dlv n THR 98 Cb 0.17 0.23 0.19 0.00 -1.55 0.00 0.00 70.33 69.38 2dlv n THR 98 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 175.07 173.69 2dlv n GLN 99 N -1.94 1.65 -2.18 1.09 -0.06 -1.06 -5.00 117.38 109.87 2dlv n GLN 99 Ca -0.02 -3.08 -0.42 0.00 -2.00 0.00 0.00 57.00 51.48 2dlv n GLN 99 Cb 0.35 -1.64 -0.03 0.00 -4.06 0.00 0.00 30.24 24.86 2dlv n GLN 99 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 2dlv s PRO 100 N -3.13 4.29 0.55 3.69 0.04 -0.80 -5.03 135.00 134.61 2dlv s PRO 100 Ca 0.38 2.03 0.09 0.00 0.04 0.00 0.00 61.00 63.53 2dlv s PRO 100 Cb 0.35 -3.49 0.07 0.00 0.04 0.00 0.00 34.50 31.47 2dlv s PRO 100 CO -0.02 -0.55 0.68 0.95 0.04 0.00 0.00 177.00 178.10 2dlv s THR 101 N 2.06 2.12 0.07 1.26 -4.23 -1.26 -4.73 115.64 110.93 2dlv s THR 101 Ca 0.65 -1.12 0.26 0.00 -1.18 0.00 0.00 61.69 60.30 2dlv s THR 101 Cb -0.34 -2.24 0.26 0.00 1.34 0.00 0.00 72.50 71.52 2dlv s THR 101 CO 0.28 0.00 1.78 -0.07 -0.54 0.00 0.00 174.62 176.07 2dlv h LEU 102 N 0.37 0.00 -3.13 4.79 3.38 -1.94 0.26 115.31 119.04 2dlv h LEU 102 Ca -0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.65 2dlv h LEU 102 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 2dlv h LEU 102 CO 0.45 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.98 2dlv n HIS 103 N -2.44 0.60 -0.01 1.13 1.44 -1.26 -4.67 115.22 110.00 2dlv n HIS 103 Ca -0.02 -0.83 -0.13 0.00 -2.01 0.00 0.00 57.72 54.74 2dlv n HIS 103 Cb 0.11 -0.22 -0.08 0.00 0.12 0.00 0.00 29.99 29.91 2dlv n HIS 103 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 2dlv h SER 104 N 1.30 0.05 0.00 4.39 0.87 -0.83 -2.61 113.55 116.73 2dlv h SER 104 Ca 0.00 -0.33 0.00 0.00 -1.23 0.00 0.00 61.79 60.23 2dlv h SER 104 Cb 1.18 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 2dlv h SER 104 CO 0.13 0.37 0.00 0.49 -0.53 0.00 0.00 176.83 177.29 2dlv n PHE 105 N -4.89 0.00 -0.28 2.24 3.72 -1.26 -3.78 117.46 113.21 2dlv n PHE 105 Ca -0.07 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.28 2dlv n PHE 105 Cb 0.19 0.00 0.07 0.00 -0.94 0.00 0.00 39.48 38.79 2dlv n PHE 105 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 2dlv h ASP 106 N 0.00 0.92 0.05 4.37 1.82 -1.77 -0.29 116.42 121.52 2dlv h ASP 106 Ca 0.00 -0.06 -0.00 0.00 -0.39 0.00 0.00 57.03 56.57 2dlv h ASP 106 Cb 0.00 -0.23 0.00 0.00 0.68 0.00 0.00 39.33 39.78 2dlv h ASP 106 CO 0.00 0.71 -0.03 0.00 -1.61 0.00 0.00 179.24 178.32 2dlv h ALA 107 N 1.25 -0.07 -0.49 -0.78 0.00 -1.78 -3.29 119.26 114.10 2dlv h ALA 107 Ca 0.28 -0.26 0.10 0.00 0.00 0.00 0.00 54.91 55.02 2dlv h ALA 107 Cb -0.04 0.03 -0.10 0.00 0.00 0.00 0.00 17.79 17.68 2dlv h ALA 107 CO -0.05 -0.10 -0.17 0.00 0.00 0.00 0.00 179.25 178.93 2dlv h ALA 108 N -0.40 0.23 -0.89 0.00 0.00 -1.77 -0.15 119.26 116.28 2dlv h ALA 108 Ca -0.01 0.18 0.23 0.00 0.00 0.00 0.00 54.91 55.32 2dlv h ALA 108 Cb 0.55 0.46 -0.13 0.00 0.00 0.00 0.00 17.79 18.66 2dlv h ALA 108 CO 0.01 -0.50 0.34 0.37 0.00 0.00 0.00 179.25 179.47 2dlv h GLN 109 N -0.06 0.30 -0.31 0.00 4.15 -1.18 0.11 115.11 118.12 2dlv h GLN 109 Ca 0.23 -0.02 0.02 0.00 0.77 0.00 0.00 58.65 59.66 2dlv h GLN 109 Cb 0.42 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.01 2dlv h GLN 109 CO -0.53 0.20 0.14 1.03 -1.93 0.00 0.00 178.83 177.74 2dlv h SER 110 N 0.31 0.20 0.01 -0.69 0.87 -1.09 -0.79 113.55 112.37 2dlv h SER 110 Ca 0.57 0.02 0.02 0.00 -1.23 0.00 0.00 61.79 61.17 2dlv h SER 110 Cb 1.13 -0.02 -0.06 0.00 -0.44 0.00 0.00 62.40 63.01 2dlv h SER 110 CO -0.59 0.16 -0.52 -0.09 -0.53 0.00 0.00 176.83 175.26 2dlv h ARG 111 N 0.30 -0.64 -0.10 2.24 9.65 -0.56 -0.92 114.38 124.35 2dlv h ARG 111 Ca 0.13 0.04 0.03 0.00 -1.10 0.00 0.00 59.98 59.09 2dlv h ARG 111 Cb 0.06 0.15 -0.03 0.00 -1.39 0.00 0.00 29.97 28.75 2dlv h ARG 111 CO -0.10 -0.43 -0.09 0.28 2.80 0.00 0.00 179.97 182.42 2dlv h VAL 112 N -0.67 0.73 -0.63 0.20 2.07 -1.35 -1.12 116.25 115.49 2dlv h VAL 112 Ca 0.02 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.65 2dlv h VAL 112 Cb 0.72 0.73 -0.12 0.00 -1.52 0.00 0.00 31.29 31.10 2dlv h VAL 112 CO -0.35 0.00 -0.29 0.22 0.02 0.00 0.00 177.57 177.17 2dlv h TYR 113 N -0.11 -0.78 -0.79 1.57 5.03 -0.71 0.15 116.97 121.33 2dlv h TYR 113 Ca 0.07 0.07 -0.03 0.00 2.58 0.00 0.00 58.73 61.42 2dlv h TYR 113 Cb 0.22 0.44 -0.04 0.00 1.55 0.00 0.00 36.73 38.90 2dlv h TYR 113 CO -0.21 -0.36 0.37 1.96 -1.32 0.00 0.00 178.16 178.60 2dlv h GLN 114 N -0.12 1.14 0.00 1.82 4.20 -0.85 -0.83 115.11 120.48 2dlv h GLN 114 Ca 0.26 -0.17 -0.00 0.00 0.06 0.00 0.00 58.65 58.80 2dlv h GLN 114 Cb 0.54 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 28.12 2dlv h GLN 114 CO -0.70 0.89 -0.02 -0.07 -0.67 0.00 0.00 178.83 178.26 2dlv h LEU 115 N 1.12 0.00 0.00 1.46 3.38 0.49 0.77 115.31 122.53 2dlv h LEU 115 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 2dlv h LEU 115 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2dlv h LEU 115 CO -0.03 0.02 -1.13 0.23 0.09 0.00 0.00 178.44 177.62 2dlv n MET 116 N -3.71 0.31 0.04 1.13 2.81 -0.05 -4.05 117.12 113.60 2dlv n MET 116 Ca -0.03 -0.02 0.11 0.00 -1.81 0.00 0.00 57.70 55.95 2dlv n MET 116 Cb 0.11 -1.58 -0.02 0.00 -0.71 0.00 0.00 33.22 31.02 2dlv n MET 116 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 2dlv n GLU 117 N -1.96 0.43 0.00 0.03 0.00 -0.17 -0.61 120.64 118.36 2dlv n GLU 117 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.17 2dlv n GLU 117 Cb 0.44 -1.64 0.00 0.00 0.00 0.00 0.00 31.44 30.24 2dlv n GLU 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2dlv n GLN 118 N -2.20 0.00 -0.01 5.31 10.64 0.09 -4.38 117.38 126.83 2dlv n GLN 118 Ca 0.00 0.31 -0.02 0.00 -1.83 0.00 0.00 57.00 55.47 2dlv n GLN 118 Cb 0.49 -1.27 -0.01 0.00 -0.86 0.00 0.00 30.24 28.58 2dlv n GLN 118 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 2dlv n ASP 119 N -1.38 3.97 -0.33 2.61 9.92 -1.26 -4.50 116.55 125.57 2dlv n ASP 119 Ca 0.00 -0.01 0.25 0.00 -0.53 0.00 0.00 54.79 54.50 2dlv n ASP 119 Cb 0.00 0.10 0.54 0.00 -0.64 0.00 0.00 41.12 41.12 2dlv n ASP 119 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 2dlv h SER 120 N 0.00 0.39 0.25 -2.24 0.02 -1.80 0.24 113.55 110.41 2dlv h SER 120 Ca -0.06 0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 2dlv h SER 120 Cb 1.10 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.66 2dlv h SER 120 CO -0.01 0.05 -0.12 0.22 -1.14 0.00 0.00 176.83 175.83 2dlv h TYR 121 N 0.33 -0.31 -1.00 3.45 3.20 -1.06 -0.86 116.97 120.71 2dlv h TYR 121 Ca 0.62 -0.01 0.19 0.00 3.14 0.00 0.00 58.73 62.67 2dlv h TYR 121 Cb 1.68 0.10 -0.11 0.00 1.54 0.00 0.00 36.73 39.95 2dlv h TYR 121 CO -0.00 -0.11 0.61 1.79 -1.64 0.00 0.00 178.16 178.80 2dlv h THR 122 N -1.06 0.70 -0.13 1.81 1.35 -1.58 -0.62 112.91 113.38 2dlv h THR 122 Ca -0.03 -0.26 -0.19 0.00 -0.55 0.00 0.00 66.41 65.38 2dlv h THR 122 Cb 0.34 -0.12 0.01 0.00 -1.73 0.00 0.00 68.15 66.65 2dlv h THR 122 CO 0.06 0.14 -0.67 -0.09 -0.25 0.00 0.00 175.52 174.71 2dlv h ARG 123 N 0.75 0.67 -0.86 4.72 2.43 -0.64 -3.20 114.38 118.26 2dlv h ARG 123 Ca 0.58 -0.56 0.19 0.00 -0.81 0.00 0.00 59.98 59.38 2dlv h ARG 123 Cb 0.92 0.12 -0.11 0.00 -0.42 0.00 0.00 29.97 30.48 2dlv h ARG 123 CO -0.38 1.17 0.38 0.35 -1.51 0.00 0.00 179.97 179.98 2dlv h PHE 124 N 0.35 0.64 -0.42 2.20 3.57 0.38 0.36 116.94 124.02 2dlv h PHE 124 Ca -0.05 0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.42 2dlv h PHE 124 Cb 1.30 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.88 2dlv h PHE 124 CO 0.10 0.02 -0.05 -0.07 -2.23 0.00 0.00 178.31 176.08 2dlv h LEU 125 N 0.45 0.67 -0.56 0.59 3.38 -1.46 -2.63 115.31 115.75 2dlv h LEU 125 Ca 0.51 -0.17 -0.15 0.00 0.09 0.00 0.00 57.88 58.16 2dlv h LEU 125 Cb 0.89 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 2dlv h LEU 125 CO -0.47 0.78 -0.71 0.11 0.09 0.00 0.00 178.44 178.23 2dlv h LYS 126 N 0.65 0.00 -6.67 1.13 1.57 -0.55 -3.28 116.57 109.41 2dlv h LYS 126 Ca 0.12 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.37 2dlv h LYS 126 Cb 0.48 0.00 0.07 0.00 0.08 0.00 0.00 32.23 32.86 2dlv h LYS 126 CO 0.02 0.71 0.92 -1.13 -0.57 0.00 0.00 179.45 179.41 2dlv n SER 127 N -3.68 3.75 -0.34 0.86 3.41 0.91 -4.76 113.62 113.78 2dlv n SER 127 Ca -0.01 1.10 0.29 0.00 -0.26 0.00 0.00 58.87 59.99 2dlv n SER 127 Cb 0.70 -1.55 0.55 0.00 -0.26 0.00 0.00 64.21 63.65 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 5.88 0.39 -0.61 4.04 3.58 -1.87 0.91 116.42 128.74 2dlv h ASP 128 Ca -0.45 0.21 0.10 0.00 0.42 0.00 0.00 57.03 57.32 2dlv h ASP 128 Cb 1.22 0.20 -0.11 0.00 1.72 0.00 0.00 39.33 42.35 2dlv h ASP 128 CO 0.88 -0.28 -0.40 0.40 -2.88 0.00 0.00 179.24 176.96 2dlv h ILE 129 N 0.14 0.11 0.46 2.25 2.04 -1.88 0.44 117.51 121.06 2dlv h ILE 129 Ca 0.80 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.64 2dlv h ILE 129 Cb 2.07 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 38.26 2dlv h ILE 129 CO -0.65 0.00 -0.22 0.22 0.00 0.00 0.00 178.15 177.50 2dlv h TYR 130 N -0.19 -0.57 -1.42 1.37 5.03 -0.96 -3.13 116.97 117.10 2dlv h TYR 130 Ca 0.21 -0.01 0.46 0.00 2.58 0.00 0.00 58.73 61.96 2dlv h TYR 130 Cb 0.56 0.19 -0.12 0.00 1.55 0.00 0.00 36.73 38.91 2dlv h TYR 130 CO -0.70 -0.35 0.93 -0.07 -1.32 0.00 0.00 178.16 176.65 2dlv h LEU 131 N -0.90 0.20 0.62 2.82 3.38 -1.26 0.21 115.31 120.38 2dlv h LEU 131 Ca -0.06 0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 2dlv h LEU 131 Cb 0.47 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 2dlv h LEU 131 CO 0.10 -0.17 -0.39 -0.78 0.09 0.00 0.00 178.44 177.30 2dlv h ASP 132 N 0.06 -0.98 -0.91 -0.43 1.82 -0.06 0.37 116.42 116.29 2dlv h ASP 132 Ca 0.84 0.06 0.22 0.00 -0.39 0.00 0.00 57.03 57.76 2dlv h ASP 132 Cb 2.78 0.29 -0.17 0.00 0.68 0.00 0.00 39.33 42.91 2dlv h ASP 132 CO -0.37 -0.60 -0.09 0.18 -1.61 0.00 0.00 179.24 176.76 2dlv n LEU 133 N -5.52 -0.20 0.09 2.28 4.32 0.74 0.90 117.00 119.60 2dlv n LEU 133 Ca -0.13 1.55 -0.19 0.00 -0.02 0.00 0.00 56.01 57.22 2dlv n LEU 133 Cb 0.41 -0.52 -0.11 0.00 -1.62 0.00 0.00 43.42 41.58 2dlv n LEU 133 CO 0.34 -1.53 -0.00 0.00 -1.22 0.00 0.00 177.39 174.98 2dlv h MET 134 N 0.00 0.53 -6.29 3.23 -0.00 -1.50 -3.39 114.93 107.52 2dlv h MET 134 Ca 0.50 -0.69 -0.47 0.00 -0.00 0.00 0.00 59.70 59.04 2dlv h MET 134 Cb 0.93 0.22 -0.03 0.00 -0.00 0.00 0.00 31.60 32.73 2dlv h MET 134 CO -0.89 1.29 -0.76 0.45 -0.00 0.00 0.00 176.91 177.01 2dlv n SER 135 N -3.75 -4.64 -4.78 -0.10 2.88 0.26 -4.82 113.62 98.67 2dlv n SER 135 Ca -0.11 -0.78 -0.36 0.00 -1.33 0.00 0.00 58.87 56.29 2dlv n SER 135 Cb 0.95 -3.91 -0.05 0.00 -0.75 0.00 0.00 64.21 60.45 2dlv n SER 135 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dlv s GLY 136 N -3.37 2.73 0.91 0.46 0.00 -1.26 -5.04 107.32 101.75 2dlv s GLY 136 Ca 0.63 0.62 -0.12 0.00 0.00 0.00 0.00 44.72 45.85 2dlv s GLY 136 CO 0.83 1.04 1.09 2.56 0.00 0.00 0.00 173.10 178.62 2dlv s PRO 137 N -2.39 1.11 -0.11 2.90 0.04 -1.26 -5.05 135.00 130.24 2dlv s PRO 137 Ca 0.55 0.77 0.00 0.00 0.04 0.00 0.00 61.00 62.36 2dlv s PRO 137 Cb -0.20 -1.80 -0.02 0.00 0.04 0.00 0.00 34.50 32.52 2dlv s PRO 137 CO 0.25 -2.33 -0.11 0.45 0.04 0.00 0.00 177.00 175.30 2dlv s SER 138 N -3.43 4.24 -0.04 6.66 0.15 -1.26 -5.03 113.70 114.99 2dlv s SER 138 Ca 0.64 -0.22 -0.26 0.00 0.70 0.00 0.00 55.95 56.80 2dlv s SER 138 Cb -0.18 -1.41 -0.21 0.00 -1.71 0.00 0.00 66.02 62.51 2dlv s SER 138 CO 0.57 0.23 1.16 0.28 1.20 0.00 0.00 173.24 176.69 2dlv h SER 139 N 6.19 -0.01 -0.02 5.45 0.02 -2.08 -3.58 113.55 119.53 2dlv h SER 139 Ca -0.34 -0.58 0.00 0.00 -0.84 0.00 0.00 61.79 60.03 2dlv h SER 139 Cb 1.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.73 2dlv h SER 139 CO 0.55 0.58 0.00 0.61 -1.14 0.00 0.00 176.83 177.43