#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 7.00 -0.17 1.61 0.01 -1.26 -4.94 113.70 115.95 2dlv s SER 2 Ca 0.00 2.16 -0.11 0.00 1.31 0.00 0.00 55.95 59.31 2dlv s SER 2 Cb 0.00 -2.59 -0.22 0.00 0.21 0.00 0.00 66.02 63.42 2dlv s SER 2 CO 0.00 -0.50 0.21 -1.20 0.41 0.00 0.00 173.24 172.16 2dlv n SER 3 N 3.61 2.02 -4.62 2.44 7.64 -1.26 -4.91 113.62 118.55 2dlv n SER 3 Ca 0.09 0.26 -0.34 0.00 1.01 0.00 0.00 58.87 59.88 2dlv n SER 3 Cb 0.45 -0.86 -0.10 0.00 -1.01 0.00 0.00 64.21 62.69 2dlv n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dlv s GLY 4 N -5.43 1.83 0.21 0.23 0.00 -1.26 -5.11 107.32 97.79 2dlv s GLY 4 Ca -0.27 -0.79 0.08 0.00 0.00 0.00 0.00 44.72 43.74 2dlv s GLY 4 CO 0.68 -0.26 -0.15 -0.56 0.00 0.00 0.00 173.10 172.80 2dlv s SER 5 N -0.20 2.68 -0.58 1.64 0.01 -1.26 -5.06 113.70 110.94 2dlv s SER 5 Ca 0.05 -1.00 -0.29 0.00 1.31 0.00 0.00 55.95 56.02 2dlv s SER 5 Cb -0.12 -0.15 -0.11 0.00 0.21 0.00 0.00 66.02 65.84 2dlv s SER 5 CO 0.02 -0.14 2.45 -1.54 0.41 0.00 0.00 173.24 174.44 2dlv n SER 6 N -0.34 1.85 0.00 2.44 3.41 -1.26 -4.49 113.62 115.23 2dlv n SER 6 Ca -0.08 -0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.35 2dlv n SER 6 Cb 0.60 -1.38 0.00 0.00 -0.26 0.00 0.00 64.21 63.17 2dlv n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dlv n GLY 7 N 6.19 2.50 3.34 5.00 0.00 -1.26 -5.12 105.19 115.83 2dlv n GLY 7 Ca 0.44 -0.34 -0.14 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 -0.33 0.00 1.61 0.01 -1.26 -5.02 113.70 108.70 2dlv s SER 8 Ca 0.00 0.16 0.15 0.00 1.31 0.00 0.00 55.95 57.57 2dlv s SER 8 Cb 0.00 0.41 0.80 0.00 0.21 0.00 0.00 66.02 67.45 2dlv s SER 8 CO 0.00 -0.59 1.39 -0.81 0.41 0.00 0.00 173.24 173.63 2dlv n PRO 9 N 0.79 0.29 0.04 12.44 -0.04 -1.26 -2.38 135.00 144.89 2dlv n PRO 9 Ca -0.19 0.10 -0.17 0.00 -0.04 0.00 0.00 63.50 63.20 2dlv n PRO 9 Cb 0.58 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.40 2dlv n PRO 9 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2dlv h GLU 10 N 0.00 0.23 0.01 0.54 4.57 -1.99 -3.18 114.58 114.77 2dlv h GLU 10 Ca 0.00 -0.39 -0.15 0.00 -1.18 0.00 0.00 59.36 57.64 2dlv h GLU 10 Cb 0.10 0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.81 2dlv h GLU 10 CO 0.00 1.06 -0.80 1.05 -1.18 0.00 0.00 179.01 179.14 2dlv h GLU 11 N 0.06 0.03 -0.92 1.92 4.11 -1.92 -3.28 114.58 114.58 2dlv h GLU 11 Ca -0.29 -0.04 0.08 0.00 0.07 0.00 0.00 59.36 59.18 2dlv h GLU 11 Cb 2.03 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 31.22 2dlv h GLU 11 CO 0.14 1.02 0.57 0.00 0.07 0.00 0.00 179.01 180.81 2dlv h ALA 12 N -0.26 1.31 -0.81 1.06 0.00 -1.67 0.21 119.26 119.10 2dlv h ALA 12 Ca -0.21 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2dlv h ALA 12 Cb 1.24 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 2dlv h ALA 12 CO -0.10 0.26 0.52 -0.24 0.00 0.00 0.00 179.25 179.69 2dlv h VAL 13 N 0.98 1.21 -0.08 0.00 3.04 -1.71 -2.70 116.25 117.00 2dlv h VAL 13 Ca 0.42 -0.41 -0.22 0.00 -1.01 0.00 0.00 66.70 65.48 2dlv h VAL 13 Cb 0.29 0.04 0.01 0.00 -2.01 0.00 0.00 31.29 29.62 2dlv h VAL 13 CO -0.21 0.21 -0.84 0.11 -1.01 0.00 0.00 177.57 175.83 2dlv h LYS 14 N 1.10 0.61 -0.94 4.17 1.57 -1.37 -3.28 116.57 118.43 2dlv h LYS 14 Ca 0.29 -0.55 0.21 0.00 -1.87 0.00 0.00 60.65 58.74 2dlv h LYS 14 Cb -0.10 0.13 -0.18 0.00 0.08 0.00 0.00 32.23 32.16 2dlv h LYS 14 CO -0.06 1.17 -0.15 -1.49 -0.57 0.00 0.00 179.45 178.35 2dlv h TRP 15 N 0.40 -0.34 -0.39 -1.35 4.06 -0.27 1.10 115.95 119.15 2dlv h TRP 15 Ca -0.06 0.08 0.02 0.00 2.06 0.00 0.00 58.89 60.99 2dlv h TRP 15 Cb 1.46 0.30 -0.02 0.00 -1.00 0.00 0.00 29.16 29.89 2dlv h TRP 15 CO 0.07 -0.40 0.26 0.78 -3.56 0.00 0.00 178.44 175.60 2dlv h GLY 16 N 0.01 0.49 -0.78 1.49 0.00 -1.61 -3.07 103.07 99.60 2dlv h GLY 16 Ca 0.49 -0.17 0.09 0.00 0.00 0.00 0.00 47.33 47.73 2dlv h GLY 16 CO -0.93 0.16 -0.41 1.18 0.00 0.00 0.00 176.54 176.53 2dlv n GLU 17 N -4.48 -0.29 -3.77 4.80 -0.58 0.38 -4.67 120.64 112.02 2dlv n GLU 17 Ca 0.04 1.19 -0.10 0.00 -0.42 0.00 0.00 57.16 57.87 2dlv n GLU 17 Cb 0.13 -1.75 -0.06 0.00 -0.57 0.00 0.00 31.44 29.20 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 -5.36 -0.09 0.20 1.62 0.01 -1.16 -5.05 113.70 103.87 2dlv s SER 18 Ca -0.10 -0.53 -0.11 0.00 1.31 0.00 0.00 55.95 56.52 2dlv s SER 18 Cb 0.11 0.44 0.12 0.00 0.21 0.00 0.00 66.02 66.90 2dlv s SER 18 CO 0.51 -0.85 1.85 0.15 0.41 0.00 0.00 173.24 175.30 2dlv h PHE 19 N 2.48 0.88 -0.64 2.43 3.57 -1.83 -2.58 116.94 121.25 2dlv h PHE 19 Ca -0.33 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.22 2dlv h PHE 19 Cb 1.24 -0.29 -0.05 0.00 2.79 0.00 0.00 35.95 39.63 2dlv h PHE 19 CO 0.37 0.58 0.37 0.22 -2.23 0.00 0.00 178.31 177.62 2dlv h ASP 20 N 0.92 0.57 -0.43 0.41 3.58 -1.97 -2.46 116.42 117.05 2dlv h ASP 20 Ca 0.25 0.02 0.08 0.00 0.42 0.00 0.00 57.03 57.80 2dlv h ASP 20 Cb -0.06 -0.09 -0.07 0.00 1.72 0.00 0.00 39.33 40.82 2dlv h ASP 20 CO -0.05 0.38 -0.04 0.11 -2.88 0.00 0.00 179.24 176.76 2dlv h LYS 21 N 0.70 0.06 -0.19 0.28 1.79 -1.73 0.11 116.57 117.59 2dlv h LYS 21 Ca 0.28 -0.00 0.05 0.00 -2.18 0.00 0.00 60.65 58.80 2dlv h LYS 21 Cb 0.13 -0.01 -0.06 0.00 -1.58 0.00 0.00 32.23 30.70 2dlv h LYS 21 CO -0.15 0.04 -0.18 1.25 -1.08 0.00 0.00 179.45 179.32 2dlv h LEU 22 N 0.07 -0.58 -0.20 2.94 5.85 -1.32 -2.40 115.31 119.66 2dlv h LEU 22 Ca 0.21 0.11 0.00 0.00 0.84 0.00 0.00 57.88 59.04 2dlv h LEU 22 Cb 0.31 0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 2dlv h LEU 22 CO -0.39 -0.23 0.13 -0.07 -0.34 0.00 0.00 178.44 177.55 2dlv h LEU 23 N -0.20 0.23 -0.89 2.25 3.38 -1.17 -2.59 115.31 116.33 2dlv h LEU 23 Ca 0.12 -0.01 0.36 0.00 0.09 0.00 0.00 57.88 58.45 2dlv h LEU 23 Cb 0.38 -0.06 -0.16 0.00 0.09 0.00 0.00 40.66 40.91 2dlv h LEU 23 CO -0.31 0.17 0.44 -1.54 0.09 0.00 0.00 178.44 177.29 2dlv n SER 24 N -4.95 0.28 -4.85 -0.43 3.41 0.31 -4.26 113.62 103.13 2dlv n SER 24 Ca -0.03 1.47 -0.33 0.00 -0.26 0.00 0.00 58.87 59.72 2dlv n SER 24 Cb 0.03 -0.70 -0.06 0.00 -0.26 0.00 0.00 64.21 63.21 2dlv n SER 24 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 2dlv s HIS 25 N -5.39 3.42 -0.05 7.33 5.65 -0.97 -5.02 115.29 120.26 2dlv s HIS 25 Ca -0.08 1.22 -0.12 0.00 0.25 0.00 0.00 55.06 56.33 2dlv s HIS 25 Cb 0.30 -2.53 -0.07 0.00 -1.18 0.00 0.00 32.58 29.10 2dlv s HIS 25 CO 0.69 0.15 0.51 -0.09 -0.65 0.00 0.00 174.74 175.34 2dlv h ARG 26 N 2.47 -0.42 -0.27 2.88 9.65 -1.83 -2.91 114.38 123.95 2dlv h ARG 26 Ca -0.48 0.03 0.06 0.00 -1.10 0.00 0.00 59.98 58.49 2dlv h ARG 26 Cb 1.18 0.09 -0.08 0.00 -1.39 0.00 0.00 29.97 29.77 2dlv h ARG 26 CO 0.66 -0.28 -0.36 0.22 2.80 0.00 0.00 179.97 183.00 2dlv h ASP 27 N -1.08 -1.17 -0.94 -3.80 1.82 -1.93 -0.47 116.42 108.84 2dlv h ASP 27 Ca -0.04 0.18 0.19 0.00 -0.39 0.00 0.00 57.03 56.96 2dlv h ASP 27 Cb 0.33 0.51 -0.11 0.00 0.68 0.00 0.00 39.33 40.74 2dlv h ASP 27 CO 0.07 -0.36 0.52 1.23 -1.61 0.00 0.00 179.24 179.09 2dlv h GLY 28 N -0.36 1.64 0.84 -0.78 0.00 -1.79 -1.49 103.07 101.13 2dlv h GLY 28 Ca 0.12 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 2dlv h GLY 28 CO -0.46 -0.10 -0.14 -2.00 0.00 0.00 0.00 176.54 173.83 2dlv h LEU 29 N 0.65 -0.33 0.12 3.11 5.85 -0.93 -2.38 115.31 121.40 2dlv h LEU 29 Ca 0.55 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 59.18 2dlv h LEU 29 Cb 0.88 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.96 2dlv h LEU 29 CO -0.41 -0.10 -0.42 -0.33 -0.34 0.00 0.00 178.44 176.84 2dlv h GLU 30 N -0.56 -0.59 -0.83 1.25 5.08 -0.44 -2.00 114.58 116.49 2dlv h GLU 30 Ca -0.04 0.04 0.20 0.00 -1.00 0.00 0.00 59.36 58.56 2dlv h GLU 30 Cb 0.41 0.13 -0.15 0.00 0.50 0.00 0.00 28.75 29.65 2dlv h GLU 30 CO 0.07 -0.40 0.04 0.00 -1.00 0.00 0.00 179.01 177.72 2dlv h ALA 31 N -0.78 0.94 -0.61 3.43 0.00 -1.35 0.21 119.26 121.09 2dlv h ALA 31 Ca -0.01 0.26 0.12 0.00 0.00 0.00 0.00 54.91 55.28 2dlv h ALA 31 Cb 0.61 0.45 -0.09 0.00 0.00 0.00 0.00 17.79 18.76 2dlv h ALA 31 CO -0.22 -0.46 0.14 0.35 0.00 0.00 0.00 179.25 179.07 2dlv h PHE 32 N 0.10 0.23 0.06 0.00 3.57 -0.83 -2.30 116.94 117.77 2dlv h PHE 32 Ca 0.48 0.04 0.03 0.00 3.53 0.00 0.00 57.97 62.04 2dlv h PHE 32 Cb 0.89 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.57 2dlv h PHE 32 CO -0.42 -0.02 -0.37 1.15 -2.23 0.00 0.00 178.31 176.41 2dlv h THR 33 N 0.27 0.23 -0.92 4.41 2.02 -0.06 -2.36 112.91 116.51 2dlv h THR 33 Ca 0.32 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.67 2dlv h THR 33 Cb 0.48 0.23 -0.16 0.00 -1.74 0.00 0.00 68.15 66.96 2dlv h THR 33 CO -0.40 0.00 -0.29 0.54 0.37 0.00 0.00 175.52 175.74 2dlv n ARG 34 N -5.44 -0.14 -0.19 6.66 1.74 -0.87 0.44 116.66 118.86 2dlv n ARG 34 Ca -0.06 1.43 -0.03 0.00 -0.77 0.00 0.00 57.85 58.42 2dlv n ARG 34 Cb 0.35 -2.13 0.04 0.00 -1.02 0.00 0.00 32.46 29.70 2dlv n ARG 34 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 2dlv h PHE 35 N 0.00 -0.55 -0.38 -1.55 3.57 -1.36 -0.75 116.94 115.92 2dlv h PHE 35 Ca 0.39 0.06 -0.08 0.00 3.53 0.00 0.00 57.97 61.87 2dlv h PHE 35 Cb 0.62 0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.68 2dlv h PHE 35 CO -0.75 -0.31 -0.09 -0.07 -2.23 0.00 0.00 178.31 174.86 2dlv h LEU 36 N -0.08 0.73 -0.76 0.59 3.38 0.02 -3.16 115.31 116.02 2dlv h LEU 36 Ca 0.26 -0.36 0.15 0.00 0.09 0.00 0.00 57.88 58.02 2dlv h LEU 36 Cb 0.49 -0.20 -0.14 0.00 0.09 0.00 0.00 40.66 40.90 2dlv h LEU 36 CO -0.63 0.92 -0.23 0.11 0.09 0.00 0.00 178.44 178.69 2dlv h LYS 37 N 0.52 -0.03 -0.95 1.13 1.57 0.71 0.55 116.57 120.08 2dlv h LYS 37 Ca 0.10 0.00 0.14 0.00 -1.87 0.00 0.00 60.65 59.01 2dlv h LYS 37 Cb 0.60 0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.84 2dlv h LYS 37 CO 0.04 -0.02 0.60 1.79 -0.57 0.00 0.00 179.45 181.29 2dlv h THR 38 N -0.03 0.87 -0.44 -0.16 1.35 -1.34 0.33 112.91 113.48 2dlv h THR 38 Ca 0.35 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.92 2dlv h THR 38 Cb 0.57 -0.04 0.00 0.00 -1.73 0.00 0.00 68.15 66.94 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 -4.60 2.45 -3.17 4.72 -0.58 0.17 -4.90 120.64 114.73 2dlv n GLU 39 Ca 0.18 -1.75 -0.22 0.00 -0.42 0.00 0.00 57.16 54.96 2dlv n GLU 39 Cb 0.42 -1.53 0.01 0.00 -0.57 0.00 0.00 31.44 29.77 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 0.73 -1.80 -0.48 -0.32 3.01 0.11 -4.83 117.46 113.88 2dlv n PHE 40 Ca 0.16 0.44 0.05 0.00 1.01 0.00 0.00 57.45 59.11 2dlv n PHE 40 Cb 0.52 -3.40 0.10 0.00 -0.01 0.00 0.00 39.48 36.69 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 -2.31 2.49 -0.20 4.37 7.64 -0.17 -4.67 113.62 120.77 2dlv n SER 41 Ca -0.06 -2.46 -0.05 0.00 1.01 0.00 0.00 58.87 57.31 2dlv n SER 41 Cb 0.57 -0.24 0.12 0.00 -1.01 0.00 0.00 64.21 63.66 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 1.00 -1.21 1.43 9.09 -1.86 -2.83 114.58 120.75 2dlv h GLU 42 Ca 0.00 -0.21 0.45 0.00 0.05 0.00 0.00 59.36 59.65 2dlv h GLU 42 Cb 0.81 -0.15 -0.15 0.00 -1.65 0.00 0.00 28.75 27.61 2dlv h GLU 42 CO 0.03 0.87 0.74 -0.85 0.05 0.00 0.00 179.01 179.85 2dlv n GLU 43 N -4.26 -0.04 0.33 1.06 0.28 -1.26 0.01 120.64 116.75 2dlv n GLU 43 Ca 0.05 1.27 -0.18 0.00 -0.16 0.00 0.00 57.16 58.14 2dlv n GLU 43 Cb 0.23 -2.42 -0.09 0.00 1.43 0.00 0.00 31.44 30.59 2dlv n GLU 43 CO 0.00 0.00 0.00 -0.91 -0.16 0.00 0.00 177.13 176.06 2dlv h ASN 44 N 0.00 -1.11 -0.33 -1.84 4.21 -1.78 -2.66 115.58 112.07 2dlv h ASN 44 Ca 0.85 0.08 -0.12 0.00 1.21 0.00 0.00 56.30 58.32 2dlv h ASN 44 Cb 2.56 0.35 -0.01 0.00 -1.12 0.00 0.00 38.32 40.10 2dlv h ASN 44 CO -0.56 -0.63 -0.21 -0.29 -1.29 0.00 0.00 177.43 174.45 2dlv h ILE 45 N -0.98 1.27 -0.96 2.81 6.09 -0.59 -3.02 117.51 122.13 2dlv h ILE 45 Ca -0.07 -1.33 0.27 0.00 -1.37 0.00 0.00 64.86 62.36 2dlv h ILE 45 Cb 0.82 1.18 -0.14 0.00 0.47 0.00 0.00 36.82 39.15 2dlv h ILE 45 CO 0.02 0.45 0.48 -0.33 -3.07 0.00 0.00 178.15 175.70 2dlv h GLU 46 N 0.71 0.37 -0.42 2.19 5.08 -0.49 0.42 114.58 122.43 2dlv h GLU 46 Ca 0.10 -0.02 -0.13 0.00 -1.00 0.00 0.00 59.36 58.31 2dlv h GLU 46 Cb 0.73 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 2dlv h GLU 46 CO 0.06 0.24 -0.25 0.35 -1.00 0.00 0.00 179.01 178.41 2dlv h PHE 47 N 0.38 1.01 -0.95 4.33 3.57 -1.34 -1.53 116.94 122.41 2dlv h PHE 47 Ca 0.65 -0.25 0.05 0.00 3.53 0.00 0.00 57.97 61.95 2dlv h PHE 47 Cb 1.34 -0.23 -0.06 0.00 2.79 0.00 0.00 35.95 39.79 2dlv h PHE 47 CO -0.08 1.03 0.62 2.35 -2.23 0.00 0.00 178.31 180.00 2dlv h TRP 48 N 0.75 1.14 0.07 0.41 7.01 -0.22 -1.87 115.95 123.25 2dlv h TRP 48 Ca 0.09 0.03 -0.27 0.00 2.11 0.00 0.00 58.89 60.86 2dlv h TRP 48 Cb 0.80 -0.38 0.01 0.00 -2.10 0.00 0.00 29.16 27.50 2dlv h TRP 48 CO 0.05 0.63 -1.12 0.82 -2.79 0.00 0.00 178.44 176.02 2dlv h ILE 49 N 1.15 1.36 -0.01 2.65 2.04 -1.22 -3.10 117.51 120.39 2dlv h ILE 49 Ca 0.40 -2.55 0.00 0.00 1.00 0.00 0.00 64.86 63.70 2dlv h ILE 49 Cb 0.10 2.62 -0.00 0.00 -0.74 0.00 0.00 36.82 38.80 2dlv h ILE 49 CO -0.14 0.77 0.01 0.00 0.00 0.00 0.00 178.15 178.79 2dlv h ALA 50 N 0.51 1.74 0.02 1.87 0.00 -0.71 -2.26 119.26 120.43 2dlv h ALA 50 Ca -0.14 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 2dlv h ALA 50 Cb 1.79 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.58 2dlv h ALA 50 CO 0.20 -0.01 -0.01 0.00 0.00 0.00 0.00 179.25 179.43 2dlv h GLU 52 N -0.29 0.06 0.21 0.00 -0.00 -1.52 0.79 114.58 113.83 2dlv h GLU 52 Ca -0.00 -0.00 -0.32 0.00 -0.00 0.00 0.00 59.36 59.03 2dlv h GLU 52 Cb 0.02 -0.01 0.02 0.00 -0.00 0.00 0.00 28.75 28.78 2dlv h GLU 52 CO 0.00 0.04 -1.49 0.22 -0.00 0.00 0.00 179.01 177.78 2dlv h ASP 53 N 0.06 0.70 -0.86 3.06 3.58 -1.52 -3.34 116.42 118.10 2dlv h ASP 53 Ca 0.82 -0.93 0.15 0.00 0.42 0.00 0.00 57.03 57.49 2dlv h ASP 53 Cb 2.88 -0.23 -0.09 0.00 1.72 0.00 0.00 39.33 43.60 2dlv h ASP 53 CO -0.25 1.70 0.45 0.15 -2.88 0.00 0.00 179.24 178.41 2dlv h PHE 54 N 0.04 0.80 -0.49 0.28 3.04 0.19 -1.08 116.94 119.71 2dlv h PHE 54 Ca -0.28 0.03 0.05 0.00 3.98 0.00 0.00 57.97 61.76 2dlv h PHE 54 Cb 2.06 -0.22 -0.05 0.00 2.56 0.00 0.00 35.95 40.29 2dlv h PHE 54 CO 0.13 0.20 0.21 0.87 -2.02 0.00 0.00 178.31 177.70 2dlv h LYS 55 N 0.65 0.41 -1.59 1.11 1.57 -1.43 -1.73 116.57 115.55 2dlv h LYS 55 Ca 0.47 -0.02 0.49 0.00 -1.87 0.00 0.00 60.65 59.71 2dlv h LYS 55 Cb 0.65 -0.09 -0.09 0.00 0.08 0.00 0.00 32.23 32.78 2dlv h LYS 55 CO -0.36 0.27 1.11 1.63 -0.57 0.00 0.00 179.45 181.53 2dlv n LYS 56 N -4.95 -0.01 -1.65 3.15 5.02 -0.41 -4.44 118.16 114.87 2dlv n LYS 56 Ca 0.04 1.03 -0.46 0.00 -2.02 0.00 0.00 58.31 56.90 2dlv n LYS 56 Cb 0.16 -2.24 -0.03 0.00 -0.02 0.00 0.00 35.03 32.90 2dlv n LYS 56 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2dlv n SER 57 N -4.00 2.52 -0.10 4.39 7.64 -0.65 -4.93 113.62 118.49 2dlv n SER 57 Ca 0.39 1.13 -0.15 0.00 1.01 0.00 0.00 58.87 61.25 2dlv n SER 57 Cb 1.67 -1.38 -0.05 0.00 -1.01 0.00 0.00 64.21 63.44 2dlv n SER 57 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2dlv n LYS 58 N 2.30 0.54 -1.38 1.43 4.81 -1.26 -4.98 118.16 119.61 2dlv n LYS 58 Ca 0.14 0.30 -0.30 0.00 -0.87 0.00 0.00 58.31 57.58 2dlv n LYS 58 Cb 0.29 -1.51 0.11 0.00 0.02 0.00 0.00 35.03 33.94 2dlv n LYS 58 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 2dlv s GLY 59 N -4.95 1.62 -0.02 3.14 0.00 -1.26 -5.00 107.32 100.85 2dlv s GLY 59 Ca -0.29 -0.12 -0.25 0.00 0.00 0.00 0.00 44.72 44.06 2dlv s GLY 59 CO 0.42 0.33 1.23 -0.56 0.00 0.00 0.00 173.10 174.53 2dlv h PRO 60 N -1.29 -0.06 -0.15 2.90 0.13 -2.00 -3.30 132.00 128.23 2dlv h PRO 60 Ca -0.48 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.67 2dlv h PRO 60 Cb 1.27 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.40 2dlv h PRO 60 CO 0.57 0.40 -0.09 0.94 -0.23 0.00 0.00 178.00 179.59 2dlv n GLN 61 N -4.89 -0.07 -0.35 0.86 0.00 -1.26 -0.02 117.38 111.65 2dlv n GLN 61 Ca -0.08 0.99 0.10 0.00 -0.00 0.00 0.00 57.00 58.00 2dlv n GLN 61 Cb 0.25 -1.48 0.21 0.00 0.00 0.00 0.00 30.24 29.22 2dlv n GLN 61 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.06 177.43 2dlv h GLN 62 N 0.00 0.00 -0.09 3.69 5.75 -1.98 0.45 115.11 122.94 2dlv h GLN 62 Ca 0.02 -0.00 0.02 0.00 -0.15 0.00 0.00 58.65 58.54 2dlv h GLN 62 Cb 0.06 -0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.60 2dlv h GLN 62 CO -0.14 0.00 -0.01 0.82 -2.65 0.00 0.00 178.83 176.84 2dlv h ILE 63 N 0.00 0.92 -0.08 2.39 2.04 -0.51 0.24 117.51 122.51 2dlv h ILE 63 Ca 0.53 -0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.43 2dlv h ILE 63 Cb 0.96 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 37.91 2dlv h ILE 63 CO -0.99 0.00 -0.16 0.45 0.00 0.00 0.00 178.15 177.46 2dlv h HIS 64 N 0.01 -0.41 0.66 1.37 3.86 0.20 0.34 115.15 121.17 2dlv h HIS 64 Ca 0.04 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.24 2dlv h HIS 64 Cb 0.06 0.20 0.01 0.00 1.06 0.00 0.00 27.41 28.73 2dlv h HIS 64 CO -0.13 -0.23 -0.32 -0.07 0.86 0.00 0.00 177.93 178.04 2dlv h LEU 65 N -0.23 -0.75 -0.57 2.43 4.07 -0.90 -2.47 115.31 116.90 2dlv h LEU 65 Ca 0.08 0.03 0.11 0.00 0.08 0.00 0.00 57.88 58.17 2dlv h LEU 65 Cb 0.34 0.20 -0.11 0.00 1.08 0.00 0.00 40.66 42.16 2dlv h LEU 65 CO -0.21 -0.50 -0.24 0.11 -1.08 0.00 0.00 178.44 176.52 2dlv h LYS 66 N -0.97 -0.10 -0.48 1.13 1.57 -0.49 -0.91 116.57 116.32 2dlv h LYS 66 Ca -0.09 0.01 0.09 0.00 -1.87 0.00 0.00 60.65 58.79 2dlv h LYS 66 Cb 0.68 0.02 -0.10 0.00 0.08 0.00 0.00 32.23 32.91 2dlv h LYS 66 CO 0.15 -0.06 -0.30 0.00 -0.57 0.00 0.00 179.45 178.67 2dlv h ALA 67 N 1.27 -0.05 0.19 3.86 0.00 -0.32 0.11 119.26 124.30 2dlv h ALA 67 Ca 0.26 0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.32 2dlv h ALA 67 Cb 0.50 0.69 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 2dlv h ALA 67 CO -0.63 -0.67 -0.29 -0.22 0.00 0.00 0.00 179.25 177.44 2dlv h LYS 68 N -0.19 -0.53 0.11 0.00 3.64 -0.72 0.37 116.57 119.25 2dlv h LYS 68 Ca 0.21 0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.63 2dlv h LYS 68 Cb 0.53 0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.44 2dlv h LYS 68 CO -0.59 -0.35 -0.32 0.00 -2.27 0.00 0.00 179.45 175.92 2dlv h ALA 69 N 0.10 -0.85 -0.76 5.00 0.00 -0.48 0.22 119.26 122.48 2dlv h ALA 69 Ca 0.01 -0.08 0.13 0.00 0.00 0.00 0.00 54.91 54.97 2dlv h ALA 69 Cb 0.55 0.70 -0.09 0.00 0.00 0.00 0.00 17.79 18.96 2dlv h ALA 69 CO -0.13 -0.92 0.35 0.82 0.00 0.00 0.00 179.25 179.37 2dlv h ILE 70 N -0.48 0.74 0.67 0.00 2.04 -0.77 -0.53 117.51 119.18 2dlv h ILE 70 Ca -0.01 -0.19 -0.03 0.00 1.00 0.00 0.00 64.86 65.64 2dlv h ILE 70 Cb 0.47 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 2dlv h ILE 70 CO -0.16 0.10 -0.44 0.22 0.00 0.00 0.00 178.15 177.87 2dlv h TYR 71 N 0.54 -1.19 0.00 1.37 3.20 0.26 -0.85 116.97 120.31 2dlv h TYR 71 Ca 0.40 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.26 2dlv h TYR 71 Cb 0.54 0.43 0.00 0.00 1.54 0.00 0.00 36.73 39.24 2dlv h TYR 71 CO -0.13 -0.65 0.00 0.39 -1.64 0.00 0.00 178.16 176.13 2dlv n GLU 72 N -5.21 0.06 -0.01 1.82 1.02 0.72 -0.44 120.64 118.61 2dlv n GLU 72 Ca -0.13 0.24 -0.00 0.00 -0.02 0.00 0.00 57.16 57.25 2dlv n GLU 72 Cb 0.44 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.36 2dlv n GLU 72 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 2dlv h LYS 73 N 0.00 0.00 0.00 3.49 3.64 0.21 -3.43 116.57 120.48 2dlv h LYS 73 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2dlv h LYS 73 Cb 0.04 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 2dlv h LYS 73 CO 0.00 0.00 -0.66 1.19 -2.27 0.00 0.00 179.45 177.71 2dlv n PHE 74 N -2.42 0.13 -0.02 1.91 3.01 -0.50 -2.35 117.46 117.22 2dlv n PHE 74 Ca -0.00 0.06 -0.01 0.00 1.01 0.00 0.00 57.45 58.51 2dlv n PHE 74 Cb 0.02 -0.41 -0.01 0.00 -0.01 0.00 0.00 39.48 39.07 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 -3.93 -0.04 -1.64 4.37 2.08 -0.82 -3.41 119.36 115.98 2dlv n ILE 75 Ca -0.09 1.06 -0.46 0.00 0.56 0.00 0.00 62.75 63.82 2dlv n ILE 75 Cb 0.34 -1.40 -0.03 0.00 -0.75 0.00 0.00 39.64 37.80 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 -2.84 1.70 -1.53 0.38 10.64 0.42 -4.81 117.38 121.33 2dlv n GLN 76 Ca 0.00 0.60 -0.29 0.00 -1.83 0.00 0.00 57.00 55.48 2dlv n GLN 76 Cb 0.01 -2.16 0.18 0.00 -0.86 0.00 0.00 30.24 27.41 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 -0.37 1.90 -0.93 -0.39 2.01 -1.26 -3.84 115.64 112.76 2dlv s THR 77 Ca 0.67 0.00 -0.04 0.00 0.31 0.00 0.00 61.69 62.63 2dlv s THR 77 Cb -0.70 -2.76 0.03 0.00 0.01 0.00 0.00 72.50 69.08 2dlv s THR 77 CO 0.53 0.00 0.17 -0.67 -0.69 0.00 0.00 174.62 173.96 2dlv n ASP 78 N -4.01 -3.19 -4.93 3.53 2.03 -1.26 -4.93 116.55 103.79 2dlv n ASP 78 Ca 0.11 0.04 -0.20 0.00 0.52 0.00 0.00 54.79 55.26 2dlv n ASP 78 Cb 0.59 -2.72 -0.01 0.00 -0.72 0.00 0.00 41.12 38.26 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 -2.60 4.24 0.32 -1.67 0.00 -1.25 -5.01 121.76 115.78 2dlv s ALA 79 Ca 0.15 -1.81 0.10 0.00 0.00 0.00 0.00 51.96 50.40 2dlv s ALA 79 Cb -0.08 -1.23 0.52 0.00 0.00 0.00 0.00 23.12 22.33 2dlv s ALA 79 CO 0.18 -0.26 1.71 -1.00 0.00 0.00 0.00 175.76 176.39 2dlv h PRO 80 N 0.87 0.06 -0.06 0.00 0.13 -1.87 -3.13 132.00 128.00 2dlv h PRO 80 Ca -0.41 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2dlv h PRO 80 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2dlv h PRO 80 CO 0.53 0.52 0.00 1.63 -0.23 0.00 0.00 178.00 180.45 2dlv n LYS 81 N -3.97 1.93 -1.68 0.86 4.76 -1.08 -4.94 118.16 114.05 2dlv n LYS 81 Ca -0.02 -2.42 -0.51 0.00 -2.87 0.00 0.00 58.31 52.49 2dlv n LYS 81 Cb 0.50 -1.47 -0.05 0.00 -1.84 0.00 0.00 35.03 32.17 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 -1.03 1.79 -3.91 1.97 -0.00 -0.99 -3.89 120.64 114.58 2dlv n GLU 82 Ca 0.14 0.65 -0.26 0.00 -0.00 0.00 0.00 57.16 57.69 2dlv n GLU 82 Cb 0.61 -2.42 -0.02 0.00 -0.00 0.00 0.00 31.44 29.61 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 3.26 1.75 -0.40 3.84 -7.23 -1.22 -4.92 120.40 115.49 2dlv s VAL 83 Ca 0.92 -1.52 -0.24 0.00 -1.81 0.00 0.00 61.98 59.34 2dlv s VAL 83 Cb -0.83 -2.27 0.02 0.00 0.56 0.00 0.00 36.38 33.86 2dlv s VAL 83 CO 0.54 0.00 0.82 0.20 -0.31 0.00 0.00 175.10 176.35 2dlv s ASN 84 N -4.23 6.53 0.27 4.85 0.01 -1.26 -4.91 114.94 116.20 2dlv s ASN 84 Ca 0.34 0.25 0.04 0.00 -0.71 0.00 0.00 52.86 52.78 2dlv s ASN 84 Cb -0.02 -2.41 -0.06 0.00 0.41 0.00 0.00 41.25 39.18 2dlv s ASN 84 CO 0.21 -0.83 0.01 -0.76 -1.51 0.00 0.00 177.10 174.22 2dlv s LEU 85 N 3.27 2.23 0.40 0.60 1.43 -1.26 -4.76 118.68 120.59 2dlv s LEU 85 Ca 0.32 -1.27 -0.23 0.00 -1.03 0.00 0.00 54.13 51.93 2dlv s LEU 85 Cb -0.12 -0.38 -0.10 0.00 0.03 0.00 0.00 46.19 45.62 2dlv s LEU 85 CO 0.20 -0.51 0.97 -0.62 0.23 0.00 0.00 176.35 176.61 2dlv s ASP 86 N -3.40 6.98 0.08 2.29 2.15 -1.26 -4.89 116.67 118.63 2dlv s ASP 86 Ca 0.32 1.80 -0.28 0.00 0.43 0.00 0.00 52.55 54.82 2dlv s ASP 86 Cb 0.06 -2.56 -0.12 0.00 -0.30 0.00 0.00 42.92 40.01 2dlv s ASP 86 CO 0.12 -0.33 1.45 0.15 -0.17 0.00 0.00 175.17 176.39 2dlv h PHE 87 N 2.34 -1.24 -0.03 -5.34 3.04 -2.01 0.17 116.94 113.86 2dlv h PHE 87 Ca -0.48 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.50 2dlv h PHE 87 Cb 1.19 0.53 -0.01 0.00 2.56 0.00 0.00 35.95 40.22 2dlv h PHE 87 CO 0.61 -0.48 -0.04 1.25 -2.02 0.00 0.00 178.31 177.63 2dlv h HIS 88 N -0.61 -0.11 -0.44 0.41 2.76 -1.99 -1.13 115.15 114.04 2dlv h HIS 88 Ca -0.01 0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.22 2dlv h HIS 88 Cb 0.61 0.05 -0.08 0.00 1.55 0.00 0.00 27.41 29.54 2dlv h HIS 88 CO -0.43 -0.03 -0.56 1.15 -1.30 0.00 0.00 177.93 176.76 2dlv h THR 89 N -0.02 0.00 -0.05 6.26 2.02 -1.95 0.87 112.91 120.04 2dlv h THR 89 Ca 0.01 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.20 2dlv h THR 89 Cb 0.04 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.45 2dlv h THR 89 CO -0.04 0.00 0.70 0.50 0.37 0.00 0.00 175.52 177.05 2dlv h LYS 90 N -0.38 0.00 0.02 6.66 3.64 -0.26 0.27 116.57 126.52 2dlv h LYS 90 Ca 0.08 0.00 -0.39 0.00 -1.27 0.00 0.00 60.65 59.06 2dlv h LYS 90 Cb 0.59 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.35 2dlv h LYS 90 CO -0.62 0.00 -2.30 -1.91 -2.27 0.00 0.00 179.45 172.35 2dlv n GLU 91 N -2.73 0.64 -0.18 1.90 2.13 0.26 -3.82 120.64 118.84 2dlv n GLU 91 Ca 0.00 0.24 -0.02 0.00 0.66 0.00 0.00 57.16 58.04 2dlv n GLU 91 Cb 0.74 -1.56 0.08 0.00 0.27 0.00 0.00 31.44 30.96 2dlv n GLU 91 CO 0.00 0.00 0.00 -0.39 -0.41 0.00 0.00 177.13 176.33 2dlv h VAL 92 N -0.38 0.85 -0.27 6.31 -1.51 0.33 -2.33 116.25 119.25 2dlv h VAL 92 Ca -0.57 -0.15 -0.03 0.00 -1.23 0.00 0.00 66.70 64.73 2dlv h VAL 92 Cb 1.78 0.39 -0.01 0.00 -2.13 0.00 0.00 31.29 31.32 2dlv h VAL 92 CO -0.17 0.08 0.07 0.40 -1.23 0.00 0.00 177.57 176.72 2dlv h ILE 93 N 0.43 1.21 -1.00 7.19 2.04 -1.38 0.27 117.51 126.27 2dlv h ILE 93 Ca 0.26 -0.69 0.22 0.00 1.00 0.00 0.00 64.86 65.65 2dlv h ILE 93 Cb 0.26 1.14 -0.12 0.00 -0.74 0.00 0.00 36.82 37.37 2dlv h ILE 93 CO -0.24 0.22 0.60 0.74 0.00 0.00 0.00 178.15 179.48 2dlv h THR 94 N 0.27 0.63 0.10 -0.27 2.02 -1.54 0.60 112.91 114.72 2dlv h THR 94 Ca 0.09 -0.23 -0.30 0.00 0.77 0.00 0.00 66.41 66.73 2dlv h THR 94 Cb 0.27 -0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 66.56 2dlv h THR 94 CO -0.00 0.12 -1.57 0.78 0.37 0.00 0.00 175.52 175.23 2dlv h ASN 95 N 0.68 0.33 -0.24 4.18 2.35 -1.22 -3.30 115.58 118.37 2dlv h ASN 95 Ca 0.61 -0.49 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 2dlv h ASN 95 Cb 1.05 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 39.31 2dlv h ASN 95 CO -0.43 1.41 0.00 -0.24 -1.65 0.00 0.00 177.43 176.52 2dlv n SER 96 N -3.40 2.59 0.00 5.81 2.88 0.95 -4.04 113.62 118.41 2dlv n SER 96 Ca -0.17 -2.29 0.08 0.00 -1.33 0.00 0.00 58.87 55.16 2dlv n SER 96 Cb 1.04 -0.50 0.39 0.00 -0.75 0.00 0.00 64.21 64.39 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 0.26 0.74 -0.02 2.46 0.13 0.20 -1.48 119.36 121.65 2dlv n ILE 97 Ca 0.11 0.18 0.05 0.00 -1.10 0.00 0.00 62.75 61.99 2dlv n ILE 97 Cb 0.55 -0.89 -0.13 0.00 -0.84 0.00 0.00 39.64 38.33 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 -1.45 0.19 -1.54 9.51 5.66 -1.26 -4.47 114.28 120.91 2dlv n THR 98 Ca 0.05 -0.42 0.03 0.00 -3.05 0.00 0.00 64.05 60.66 2dlv n THR 98 Cb 0.19 -0.00 0.21 0.00 -1.55 0.00 0.00 70.33 69.17 2dlv n THR 98 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2dlv n GLN 99 N -2.16 1.65 -2.19 1.09 10.64 -1.04 -5.04 117.38 120.33 2dlv n GLN 99 Ca -0.07 -3.25 -0.42 0.00 -1.83 0.00 0.00 57.00 51.43 2dlv n GLN 99 Cb 0.53 -1.67 -0.03 0.00 -0.86 0.00 0.00 30.24 28.21 2dlv n GLN 99 CO 0.00 0.00 0.00 -1.25 -1.83 0.00 0.00 177.06 173.98 2dlv s PRO 100 N -3.23 4.30 0.55 2.61 0.04 -0.55 -5.03 135.00 133.69 2dlv s PRO 100 Ca 0.40 2.03 0.07 0.00 0.04 0.00 0.00 61.00 63.53 2dlv s PRO 100 Cb 0.38 -3.44 0.05 0.00 0.04 0.00 0.00 34.50 31.53 2dlv s PRO 100 CO -0.05 -0.52 0.52 0.95 0.04 0.00 0.00 177.00 177.95 2dlv s THR 101 N 1.84 1.84 0.61 1.26 -4.23 -1.26 -4.85 115.64 110.85 2dlv s THR 101 Ca 0.65 -1.33 0.31 0.00 -1.18 0.00 0.00 61.69 60.13 2dlv s THR 101 Cb -0.34 -2.18 0.36 0.00 1.34 0.00 0.00 72.50 71.69 2dlv s THR 101 CO 0.29 0.00 2.09 -0.07 -0.54 0.00 0.00 174.62 176.38 2dlv h LEU 102 N 0.58 0.00 -3.36 4.79 3.38 -1.94 0.41 115.31 119.17 2dlv h LEU 102 Ca -0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.62 2dlv h LEU 102 Cb 1.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 2dlv h LEU 102 CO 0.52 0.00 0.00 1.41 0.09 0.00 0.00 178.44 180.46 2dlv n HIS 103 N -3.57 1.67 0.20 1.13 8.25 -1.26 -4.55 115.22 117.09 2dlv n HIS 103 Ca 0.01 -0.70 -0.12 0.00 -0.26 0.00 0.00 57.72 56.64 2dlv n HIS 103 Cb 0.33 -0.38 -0.07 0.00 1.12 0.00 0.00 29.99 31.00 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 3.67 -0.45 0.00 0.41 0.87 -0.52 -3.01 113.55 114.51 2dlv h SER 104 Ca 0.00 -0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.44 2dlv h SER 104 Cb 1.69 0.12 0.00 0.00 -0.44 0.00 0.00 62.40 63.77 2dlv h SER 104 CO 0.35 -0.05 0.00 0.49 -0.53 0.00 0.00 176.83 177.09 2dlv n PHE 105 N -5.17 0.00 -0.06 2.24 3.72 -1.26 -3.86 117.46 113.06 2dlv n PHE 105 Ca -0.09 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.20 2dlv n PHE 105 Cb 0.28 -0.03 -0.05 0.00 -0.94 0.00 0.00 39.48 38.74 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 0.01 0.31 0.24 4.37 1.82 -1.80 -0.33 116.42 121.05 2dlv h ASP 106 Ca 0.00 -0.24 -0.01 0.00 -0.39 0.00 0.00 57.03 56.39 2dlv h ASP 106 Cb 0.17 -0.08 0.00 0.00 0.68 0.00 0.00 39.33 40.10 2dlv h ASP 106 CO 0.00 0.47 -0.12 0.00 -1.61 0.00 0.00 179.24 177.98 2dlv h ALA 107 N 0.85 -0.33 -0.54 -0.78 0.00 -1.77 -3.20 119.26 113.49 2dlv h ALA 107 Ca 0.06 -0.20 0.10 0.00 0.00 0.00 0.00 54.91 54.88 2dlv h ALA 107 Cb 0.29 0.13 -0.09 0.00 0.00 0.00 0.00 17.79 18.12 2dlv h ALA 107 CO 0.00 -0.40 0.04 0.00 0.00 0.00 0.00 179.25 178.90 2dlv h ALA 108 N -0.46 0.56 -0.82 0.00 0.00 -1.78 -1.02 119.26 115.74 2dlv h ALA 108 Ca -0.03 0.15 0.20 0.00 0.00 0.00 0.00 54.91 55.22 2dlv h ALA 108 Cb 0.50 0.24 -0.13 0.00 0.00 0.00 0.00 17.79 18.40 2dlv h ALA 108 CO 0.05 -0.36 0.22 0.37 0.00 0.00 0.00 179.25 179.53 2dlv h GLN 109 N 0.16 0.25 -0.01 0.00 4.15 -1.13 -0.42 115.11 118.11 2dlv h GLN 109 Ca 0.28 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.68 2dlv h GLN 109 Cb 0.42 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 28.05 2dlv h GLN 109 CO -0.42 0.16 0.01 1.03 -1.93 0.00 0.00 178.83 177.68 2dlv h SER 110 N 0.26 0.01 -0.80 -0.69 0.87 -1.19 -2.32 113.55 109.69 2dlv h SER 110 Ca 0.49 -0.05 0.07 0.00 -1.23 0.00 0.00 61.79 61.07 2dlv h SER 110 Cb 0.90 -0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 62.76 2dlv h SER 110 CO -0.58 0.06 -0.49 -0.09 -0.53 0.00 0.00 176.83 175.20 2dlv h ARG 111 N -0.04 -0.02 0.54 2.24 9.65 -0.75 -0.67 114.38 125.33 2dlv h ARG 111 Ca 0.00 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.87 2dlv h ARG 111 Cb 0.05 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.62 2dlv h ARG 111 CO -0.00 -0.02 -0.41 0.28 2.80 0.00 0.00 179.97 182.62 2dlv h VAL 112 N -0.03 0.17 -0.87 0.20 2.07 -1.48 -1.30 116.25 115.01 2dlv h VAL 112 Ca 0.13 0.00 0.30 0.00 0.82 0.00 0.00 66.70 67.95 2dlv h VAL 112 Cb 0.36 0.17 -0.16 0.00 -1.52 0.00 0.00 31.29 30.13 2dlv h VAL 112 CO -0.77 0.00 0.24 0.00 0.02 0.00 0.00 177.57 177.06 2dlv n TYR 113 N -5.53 0.78 0.10 1.57 9.36 -0.64 -0.31 117.16 122.49 2dlv n TYR 113 Ca -0.12 1.04 -0.10 0.00 3.32 0.00 0.00 57.90 62.05 2dlv n TYR 113 Cb 0.42 -1.30 -0.06 0.00 -0.63 0.00 0.00 39.34 37.77 2dlv n TYR 113 CO 0.00 0.00 0.00 1.96 0.22 0.00 0.00 176.86 179.04 2dlv h GLN 114 N 0.00 -0.32 -1.00 2.98 4.20 -0.70 -2.02 115.11 118.25 2dlv h GLN 114 Ca 0.63 0.02 0.36 0.00 0.06 0.00 0.00 58.65 59.73 2dlv h GLN 114 Cb 1.52 0.07 -0.16 0.00 0.30 0.00 0.00 27.48 29.21 2dlv h GLN 114 CO -0.75 0.00 0.53 -0.07 -0.67 0.00 0.00 178.83 177.87 2dlv h LEU 115 N -0.96 0.39 0.11 1.46 3.38 0.50 -0.63 115.31 119.56 2dlv h LEU 115 Ca -0.03 0.22 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 2dlv h LEU 115 Cb 0.47 0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.44 2dlv h LEU 115 CO 0.06 -0.28 -0.05 0.24 0.09 0.00 0.00 178.44 178.50 2dlv h MET 116 N 0.17 -0.15 -1.57 1.13 2.86 -1.10 -3.27 114.93 113.00 2dlv h MET 116 Ca 0.78 0.01 0.47 0.00 -2.06 0.00 0.00 59.70 58.90 2dlv h MET 116 Cb 1.90 0.03 -0.08 0.00 0.06 0.00 0.00 31.60 33.51 2dlv h MET 116 CO -0.69 -0.10 1.11 -1.91 1.06 0.00 0.00 176.91 176.38 2dlv n GLU 117 N -3.14 -0.01 0.00 1.72 0.00 -0.76 0.49 120.64 118.95 2dlv n GLU 117 Ca -0.02 0.96 -0.00 0.00 0.00 0.00 0.00 57.16 58.10 2dlv n GLU 117 Cb 0.06 -2.14 -0.00 0.00 0.00 0.00 0.00 31.44 29.36 2dlv n GLU 117 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.13 179.09 2dlv h GLN 118 N 0.00 -0.01 0.00 5.31 4.20 -1.19 -3.35 115.11 120.07 2dlv h GLN 118 Ca 0.79 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 59.47 2dlv h GLN 118 Cb 3.05 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 30.82 2dlv h GLN 118 CO -0.11 -0.01 -1.15 -3.47 -0.67 0.00 0.00 178.83 173.42 2dlv n ASP 119 N -2.62 4.08 -0.10 1.46 -0.08 -0.19 -4.55 116.55 114.55 2dlv n ASP 119 Ca -0.00 -0.01 -0.06 0.00 -1.51 0.00 0.00 54.79 53.21 2dlv n ASP 119 Cb 0.01 0.21 0.00 0.00 2.34 0.00 0.00 41.12 43.68 2dlv n ASP 119 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 2dlv h SER 120 N 0.00 -0.68 0.13 1.67 0.02 -0.18 0.46 113.55 114.96 2dlv h SER 120 Ca -0.06 0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 2dlv h SER 120 Cb 1.11 0.36 0.00 0.00 0.14 0.00 0.00 62.40 64.01 2dlv h SER 120 CO -0.00 -0.23 -0.06 0.22 -1.14 0.00 0.00 176.83 175.61 2dlv h TYR 121 N -0.14 -0.16 -1.00 3.45 3.20 -1.61 0.12 116.97 120.83 2dlv h TYR 121 Ca 0.18 -0.00 0.31 0.00 3.14 0.00 0.00 58.73 62.36 2dlv h TYR 121 Cb 0.43 0.05 -0.15 0.00 1.54 0.00 0.00 36.73 38.60 2dlv h TYR 121 CO -0.42 -0.10 0.55 1.79 -1.64 0.00 0.00 178.16 178.34 2dlv h THR 122 N -0.17 0.32 0.09 1.81 1.35 -1.68 0.97 112.91 115.59 2dlv h THR 122 Ca -0.02 -0.12 -0.00 0.00 -0.55 0.00 0.00 66.41 65.72 2dlv h THR 122 Cb 0.13 -0.05 0.00 0.00 -1.73 0.00 0.00 68.15 66.50 2dlv h THR 122 CO 0.03 0.06 -0.04 -0.09 -0.25 0.00 0.00 175.52 175.23 2dlv h ARG 123 N 0.34 -0.11 -1.02 4.72 9.65 0.04 -2.95 114.38 125.05 2dlv h ARG 123 Ca 0.72 0.01 0.25 0.00 -1.10 0.00 0.00 59.98 59.85 2dlv h ARG 123 Cb 1.61 0.03 -0.09 0.00 -1.39 0.00 0.00 29.97 30.12 2dlv h ARG 123 CO -0.60 0.17 0.65 0.35 2.80 0.00 0.00 179.97 183.34 2dlv h PHE 124 N -0.39 0.71 -0.01 2.20 3.57 0.18 0.60 116.94 123.79 2dlv h PHE 124 Ca -0.01 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 2dlv h PHE 124 Cb 0.34 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 38.86 2dlv h PHE 124 CO 0.02 0.09 -0.08 -0.07 -2.23 0.00 0.00 178.31 176.04 2dlv h LEU 125 N 0.45 0.02 -3.28 0.59 3.38 -1.20 -0.87 115.31 114.40 2dlv h LEU 125 Ca 0.58 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.55 2dlv h LEU 125 Cb 1.39 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.13 2dlv h LEU 125 CO -0.30 0.10 0.00 2.29 0.09 0.00 0.00 178.44 180.62 2dlv n LYS 126 N -4.43 4.07 -3.64 1.13 2.85 0.20 -4.79 118.16 113.55 2dlv n LYS 126 Ca -0.03 -2.97 -0.35 0.00 -1.05 0.00 0.00 58.31 53.91 2dlv n LYS 126 Cb 0.16 -2.00 -0.05 0.00 -0.65 0.00 0.00 35.03 32.49 2dlv n LYS 126 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 2dlv s SER 127 N -0.93 6.60 0.15 -5.58 1.04 -0.33 -5.01 113.70 109.65 2dlv s SER 127 Ca 0.52 0.72 -0.16 0.00 0.48 0.00 0.00 55.95 57.51 2dlv s SER 127 Cb 0.36 -2.15 0.01 0.00 0.10 0.00 0.00 66.02 64.33 2dlv s SER 127 CO 0.21 0.22 1.78 -0.78 0.98 0.00 0.00 173.24 175.65 2dlv h ASP 128 N 3.93 0.48 -0.93 7.02 3.58 -1.92 -2.54 116.42 126.03 2dlv h ASP 128 Ca -0.50 -0.05 0.25 0.00 0.42 0.00 0.00 57.03 57.15 2dlv h ASP 128 Cb 1.20 -0.12 -0.13 0.00 1.72 0.00 0.00 39.33 41.99 2dlv h ASP 128 CO 0.66 0.39 0.43 0.40 -2.88 0.00 0.00 179.24 178.24 2dlv h ILE 129 N 0.53 0.41 0.52 2.25 2.04 -1.95 0.88 117.51 122.20 2dlv h ILE 129 Ca 0.14 -0.13 -0.03 0.00 1.00 0.00 0.00 64.86 65.85 2dlv h ILE 129 Cb -0.00 0.01 0.01 0.00 -0.74 0.00 0.00 36.82 36.09 2dlv h ILE 129 CO -0.03 0.07 -0.25 0.22 0.00 0.00 0.00 178.15 178.16 2dlv h TYR 130 N 0.37 -0.65 -0.01 1.37 3.20 -1.69 0.23 116.97 119.79 2dlv h TYR 130 Ca 0.61 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.47 2dlv h TYR 130 Cb 1.23 0.22 -0.00 0.00 1.54 0.00 0.00 36.73 39.71 2dlv h TYR 130 CO -0.12 -0.35 0.03 -0.07 -1.64 0.00 0.00 178.16 176.02 2dlv h LEU 131 N -1.11 0.00 0.00 2.82 3.38 -1.01 -2.87 115.31 116.51 2dlv h LEU 131 Ca -0.07 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 2dlv h LEU 131 Cb 0.59 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 2dlv h LEU 131 CO 0.12 0.00 -0.23 -0.78 0.09 0.00 0.00 178.44 177.63 2dlv h ASP 132 N 0.00 0.00 -1.60 -0.43 1.82 0.86 -1.57 116.42 115.50 2dlv h ASP 132 Ca 0.01 -0.15 0.51 0.00 -0.39 0.00 0.00 57.03 57.00 2dlv h ASP 132 Cb 0.07 0.00 -0.12 0.00 0.68 0.00 0.00 39.33 39.96 2dlv h ASP 132 CO -0.00 0.70 1.09 0.17 -1.61 0.00 0.00 179.24 179.58 2dlv h LEU 133 N -1.00 0.13 0.04 2.28 8.10 -0.33 0.90 115.31 125.43 2dlv h LEU 133 Ca -0.02 0.10 -0.34 0.00 0.11 0.00 0.00 57.88 57.72 2dlv h LEU 133 Cb 0.35 0.10 -0.04 0.00 -0.44 0.00 0.00 40.66 40.63 2dlv h LEU 133 CO -0.01 -0.15 -2.00 1.15 -4.11 0.00 0.00 178.44 173.31 2dlv n MET 134 N -4.43 0.69 -3.87 0.17 0.00 -1.12 -4.99 117.12 103.57 2dlv n MET 134 Ca 0.42 0.22 -0.27 0.00 0.00 0.00 0.00 57.70 58.07 2dlv n MET 134 Cb 1.72 -1.69 0.02 0.00 0.00 0.00 0.00 33.22 33.27 2dlv n MET 134 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 2dlv n SER 135 N -3.18 -3.06 -2.04 3.17 2.88 0.31 -4.97 113.62 106.72 2dlv n SER 135 Ca -0.28 -0.83 0.00 0.00 -1.33 0.00 0.00 58.87 56.43 2dlv n SER 135 Cb 1.06 -3.78 0.00 0.00 -0.75 0.00 0.00 64.21 60.73 2dlv n SER 135 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dlv n GLY 136 N -1.67 -0.82 3.60 0.46 0.00 -1.25 -5.07 105.19 100.43 2dlv n GLY 136 Ca -0.10 -1.71 -0.30 0.00 0.00 0.00 0.00 46.02 43.91 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 -2.71 -1.16 -1.24 1.61 0.04 -1.26 -4.28 135.00 126.00 2dlv s PRO 137 Ca 0.00 -0.04 -0.06 0.00 0.04 0.00 0.00 61.00 60.93 2dlv s PRO 137 Cb 0.00 -1.60 0.01 0.00 0.04 0.00 0.00 34.50 32.95 2dlv s PRO 137 CO 0.00 -3.68 1.07 0.45 0.04 0.00 0.00 177.00 174.89 2dlv n SER 138 N -4.74 -5.13 -3.84 6.66 2.88 -1.26 -5.00 113.62 103.19 2dlv n SER 138 Ca 0.13 -0.52 -0.26 0.00 -1.33 0.00 0.00 58.87 56.88 2dlv n SER 138 Cb 0.59 -4.78 -0.17 0.00 -0.75 0.00 0.00 64.21 59.11 2dlv n SER 138 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dlv s SER 139 N -3.54 2.21 0.00 -3.46 1.04 -1.26 -5.21 113.70 103.48 2dlv s SER 139 Ca 0.42 -0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.48 2dlv s SER 139 Cb -0.18 -0.71 0.00 0.00 0.10 0.00 0.00 66.02 65.23 2dlv s SER 139 CO 0.68 -0.18 0.00 0.61 0.98 0.00 0.00 173.24 175.34