#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 -0.13 -0.41 1.61 0.01 -1.26 -5.12 113.70 108.40 2dlv s SER 2 Ca 0.00 0.25 -0.22 0.00 1.31 0.00 0.00 55.95 57.28 2dlv s SER 2 Cb 0.00 0.27 0.02 0.00 0.21 0.00 0.00 66.02 66.51 2dlv s SER 2 CO 0.00 -0.06 0.75 -0.55 0.41 0.00 0.00 173.24 173.79 2dlv s SER 3 N 0.01 6.45 0.00 2.44 0.15 -1.26 -4.79 113.70 116.70 2dlv s SER 3 Ca -0.01 0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.70 2dlv s SER 3 Cb -0.01 -2.37 0.00 0.00 -1.71 0.00 0.00 66.02 61.92 2dlv s SER 3 CO 0.00 -0.80 0.00 0.61 1.20 0.00 0.00 173.24 174.26 2dlv n GLY 4 N 4.80 -1.78 3.75 9.45 0.00 -1.26 -5.15 105.19 115.00 2dlv n GLY 4 Ca 0.02 0.71 -0.39 0.00 0.00 0.00 0.00 46.02 46.36 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 0.00 5.45 0.02 1.61 1.04 -1.26 -5.02 113.70 115.54 2dlv s SER 5 Ca 0.00 2.81 0.04 0.00 0.48 0.00 0.00 55.95 59.28 2dlv s SER 5 Cb 0.00 -2.64 -0.03 0.00 0.10 0.00 0.00 66.02 63.44 2dlv s SER 5 CO 0.00 -1.46 -0.09 -0.44 0.98 0.00 0.00 173.24 172.24 2dlv s SER 6 N -0.82 4.48 0.00 7.02 0.01 -1.26 -5.07 113.70 118.07 2dlv s SER 6 Ca 0.68 -0.21 0.00 0.00 1.31 0.00 0.00 55.95 57.73 2dlv s SER 6 Cb -0.41 -0.98 0.00 0.00 0.21 0.00 0.00 66.02 64.83 2dlv s SER 6 CO 0.50 0.26 0.00 0.61 0.41 0.00 0.00 173.24 175.03 2dlv n GLY 7 N 1.44 4.33 3.19 3.44 0.00 -1.26 -5.11 105.19 111.21 2dlv n GLY 7 Ca -0.15 -0.88 -0.13 0.00 0.00 0.00 0.00 46.02 44.86 2dlv n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dlv s SER 8 N 0.00 -0.31 0.00 1.61 0.15 -1.26 -4.94 113.70 108.94 2dlv s SER 8 Ca 0.00 0.61 0.14 0.00 0.70 0.00 0.00 55.95 57.40 2dlv s SER 8 Cb 0.00 0.61 0.61 0.00 -1.71 0.00 0.00 66.02 65.53 2dlv s SER 8 CO 0.00 -0.11 1.46 -0.81 1.20 0.00 0.00 173.24 174.98 2dlv n PRO 9 N 2.96 0.00 0.01 5.44 -0.04 -1.19 -2.82 135.00 139.36 2dlv n PRO 9 Ca -0.13 0.25 -0.18 0.00 -0.04 0.00 0.00 63.50 63.40 2dlv n PRO 9 Cb 0.58 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.44 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 0.66 0.14 0.54 4.57 -1.93 -3.04 114.58 115.51 2dlv h GLU 10 Ca 0.00 -0.63 -0.29 0.00 -1.18 0.00 0.00 59.36 57.27 2dlv h GLU 10 Cb 0.25 0.16 0.02 0.00 -0.16 0.00 0.00 28.75 29.01 2dlv h GLU 10 CO 0.00 1.23 -1.26 0.93 -1.18 0.00 0.00 179.01 178.74 2dlv h GLU 11 N 0.31 0.42 -0.71 1.92 4.39 -1.91 -3.29 114.58 115.70 2dlv h GLU 11 Ca -0.08 -0.64 0.07 0.00 0.34 0.00 0.00 59.36 59.05 2dlv h GLU 11 Cb 1.47 0.23 -0.06 0.00 -0.10 0.00 0.00 28.75 30.28 2dlv h GLU 11 CO 0.16 1.28 0.39 0.00 -1.16 0.00 0.00 179.01 179.69 2dlv h ALA 12 N 0.46 0.97 -0.10 3.43 0.00 -1.61 0.24 119.26 122.64 2dlv h ALA 12 Ca -0.16 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 2dlv h ALA 12 Cb 1.95 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.63 2dlv h ALA 12 CO 0.22 0.04 -0.01 -0.24 0.00 0.00 0.00 179.25 179.26 2dlv h VAL 13 N 0.69 1.08 0.05 0.00 3.04 -1.61 -2.90 116.25 116.59 2dlv h VAL 13 Ca 0.33 -0.30 -0.08 0.00 -1.01 0.00 0.00 66.70 65.64 2dlv h VAL 13 Cb 0.26 1.01 0.00 0.00 -2.01 0.00 0.00 31.29 30.56 2dlv h VAL 13 CO -0.21 0.10 -0.37 0.11 -1.01 0.00 0.00 177.57 176.19 2dlv h LYS 14 N 0.14 0.10 -0.94 4.17 1.57 -1.20 -3.34 116.57 117.08 2dlv h LYS 14 Ca 0.04 -0.17 0.25 0.00 -1.87 0.00 0.00 60.65 58.89 2dlv h LYS 14 Cb 0.12 0.06 -0.17 0.00 0.08 0.00 0.00 32.23 32.32 2dlv h LYS 14 CO 0.00 1.08 0.06 -1.49 -0.57 0.00 0.00 179.45 178.54 2dlv h TRP 15 N -0.78 0.02 -1.11 -1.35 6.55 -0.41 0.63 115.95 119.50 2dlv h TRP 15 Ca -0.07 0.07 0.32 0.00 0.95 0.00 0.00 58.89 60.16 2dlv h TRP 15 Cb 1.24 0.14 -0.12 0.00 -0.86 0.00 0.00 29.16 29.57 2dlv h TRP 15 CO 0.24 -0.37 0.70 0.78 -1.05 0.00 0.00 178.44 178.74 2dlv h GLY 16 N 0.05 1.44 -0.87 1.49 0.00 -1.65 -1.91 103.07 101.62 2dlv h GLY 16 Ca 0.57 -0.19 0.09 0.00 0.00 0.00 0.00 47.33 47.80 2dlv h GLY 16 CO -0.84 -0.28 -0.47 1.18 0.00 0.00 0.00 176.54 176.13 2dlv n GLU 17 N -4.74 -0.34 -3.49 4.80 1.02 0.22 -4.71 120.64 113.40 2dlv n GLU 17 Ca 0.30 1.32 -0.14 0.00 -0.02 0.00 0.00 57.16 58.62 2dlv n GLU 17 Cb 1.05 -1.94 -0.04 0.00 -0.02 0.00 0.00 31.44 30.48 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 -5.40 -0.54 0.20 1.62 0.01 -0.72 -5.05 113.70 103.81 2dlv s SER 18 Ca -0.11 0.18 -0.12 0.00 1.31 0.00 0.00 55.95 57.21 2dlv s SER 18 Cb 0.12 0.56 0.23 0.00 0.21 0.00 0.00 66.02 67.13 2dlv s SER 18 CO 0.56 -0.83 1.70 0.15 0.41 0.00 0.00 173.24 175.23 2dlv h PHE 19 N 2.41 0.09 -0.19 2.43 3.57 -1.84 -2.83 116.94 120.57 2dlv h PHE 19 Ca -0.32 0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.24 2dlv h PHE 19 Cb 1.25 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 40.00 2dlv h PHE 19 CO 0.30 -0.06 -0.19 0.22 -2.23 0.00 0.00 178.31 176.35 2dlv h ASP 20 N 0.19 -0.64 -0.71 0.41 3.58 -1.97 -1.32 116.42 115.96 2dlv h ASP 20 Ca 0.28 0.09 0.10 0.00 0.42 0.00 0.00 57.03 57.92 2dlv h ASP 20 Cb 0.41 0.27 -0.11 0.00 1.72 0.00 0.00 39.33 41.62 2dlv h ASP 20 CO -0.40 -0.12 -0.30 0.29 -2.88 0.00 0.00 179.24 175.84 2dlv n LYS 21 N -3.63 -0.19 -0.11 0.28 4.01 -1.07 0.65 118.16 118.10 2dlv n LYS 21 Ca -0.01 1.09 -0.09 0.00 -0.51 0.00 0.00 58.31 58.80 2dlv n LYS 21 Cb 0.10 -1.62 -0.03 0.00 -0.51 0.00 0.00 35.03 32.98 2dlv n LYS 21 CO 0.00 0.00 0.00 1.25 -1.11 0.00 0.00 177.40 177.54 2dlv h LEU 22 N 0.00 -1.21 -0.49 -0.35 5.85 -1.25 -1.13 115.31 116.73 2dlv h LEU 22 Ca 0.22 0.20 0.00 0.00 0.84 0.00 0.00 57.88 59.14 2dlv h LEU 22 Cb 0.40 0.54 -0.02 0.00 0.37 0.00 0.00 40.66 41.95 2dlv h LEU 22 CO -0.70 -0.35 0.32 -0.07 -0.34 0.00 0.00 178.44 177.31 2dlv h LEU 23 N -0.30 0.57 -0.91 2.25 3.38 0.60 -2.54 115.31 118.36 2dlv h LEU 23 Ca 0.15 -0.02 0.24 0.00 0.09 0.00 0.00 57.88 58.35 2dlv h LEU 23 Cb 0.56 -0.14 -0.14 0.00 0.09 0.00 0.00 40.66 41.03 2dlv h LEU 23 CO -0.53 0.42 0.35 -1.28 0.09 0.00 0.00 178.44 177.48 2dlv h SER 24 N 0.66 0.21 -4.10 -0.43 0.87 0.54 -3.41 113.55 107.90 2dlv h SER 24 Ca 0.18 0.18 -0.48 0.00 -1.23 0.00 0.00 61.79 60.44 2dlv h SER 24 Cb -0.07 0.20 0.02 0.00 -0.44 0.00 0.00 62.40 62.11 2dlv h SER 24 CO -0.04 -0.10 0.32 -2.28 -0.53 0.00 0.00 176.83 174.21 2dlv s HIS 25 N -5.87 3.49 -0.05 2.24 5.65 -0.80 -5.03 115.29 114.92 2dlv s HIS 25 Ca -0.12 1.33 -0.05 0.00 0.25 0.00 0.00 55.06 56.48 2dlv s HIS 25 Cb 0.26 -2.69 -0.03 0.00 -1.18 0.00 0.00 32.58 28.94 2dlv s HIS 25 CO 0.78 -0.36 0.25 -0.09 -0.65 0.00 0.00 174.74 174.67 2dlv h ARG 26 N 0.78 -0.16 -0.33 2.88 9.65 -1.82 -3.16 114.38 122.23 2dlv h ARG 26 Ca -0.46 0.01 0.06 0.00 -1.10 0.00 0.00 59.98 58.48 2dlv h ARG 26 Cb 1.19 0.04 -0.08 0.00 -1.39 0.00 0.00 29.97 29.72 2dlv h ARG 26 CO 0.62 -0.11 -0.48 0.22 2.80 0.00 0.00 179.97 183.03 2dlv h ASP 27 N -0.72 -1.57 -1.04 -3.80 3.58 -1.95 0.67 116.42 111.58 2dlv h ASP 27 Ca -0.02 0.22 0.30 0.00 0.42 0.00 0.00 57.03 57.95 2dlv h ASP 27 Cb 0.13 0.66 -0.13 0.00 1.72 0.00 0.00 39.33 41.70 2dlv h ASP 27 CO 0.03 -0.40 0.63 1.23 -2.88 0.00 0.00 179.24 177.84 2dlv h GLY 28 N -0.41 1.78 0.63 -0.78 0.00 -1.77 -0.60 103.07 101.92 2dlv h GLY 28 Ca 0.10 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 2dlv h GLY 28 CO -0.54 -0.34 -0.14 -2.00 0.00 0.00 0.00 176.54 173.52 2dlv h LEU 29 N 0.39 -0.33 -0.57 3.11 5.85 -0.88 -1.76 115.31 121.11 2dlv h LEU 29 Ca 0.69 -0.19 0.11 0.00 0.84 0.00 0.00 57.88 59.33 2dlv h LEU 29 Cb 1.61 0.09 -0.09 0.00 0.37 0.00 0.00 40.66 42.63 2dlv h LEU 29 CO -0.49 0.06 0.02 -0.33 -0.34 0.00 0.00 178.44 177.36 2dlv h GLU 30 N -0.77 0.13 -0.66 1.25 4.39 -0.04 -0.46 114.58 118.42 2dlv h GLU 30 Ca -0.04 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 2dlv h GLU 30 Cb 0.50 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.09 2dlv h GLU 30 CO 0.07 0.09 0.38 0.00 -1.16 0.00 0.00 179.01 178.38 2dlv h ALA 31 N 1.51 0.84 0.43 3.43 0.00 -1.19 -2.67 119.26 121.61 2dlv h ALA 31 Ca 0.30 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 2dlv h ALA 31 Cb 0.46 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2dlv h ALA 31 CO -0.47 0.34 -0.30 0.35 0.00 0.00 0.00 179.25 179.17 2dlv h PHE 32 N 0.90 -0.81 -0.80 0.00 3.57 -0.21 -2.68 116.94 116.92 2dlv h PHE 32 Ca 0.23 -0.00 0.18 0.00 3.53 0.00 0.00 57.97 61.91 2dlv h PHE 32 Cb 0.01 0.30 -0.12 0.00 2.79 0.00 0.00 35.95 38.93 2dlv h PHE 32 CO -0.01 -0.46 0.25 1.15 -2.23 0.00 0.00 178.31 177.01 2dlv h THR 33 N -0.72 0.50 -0.25 4.41 2.02 -1.07 -2.06 112.91 115.74 2dlv h THR 33 Ca -0.04 -0.11 0.04 0.00 0.77 0.00 0.00 66.41 67.06 2dlv h THR 33 Cb 0.61 0.15 -0.06 0.00 -1.74 0.00 0.00 68.15 67.11 2dlv h THR 33 CO 0.02 0.06 -0.48 0.03 0.37 0.00 0.00 175.52 175.51 2dlv h ARG 34 N 0.32 -0.41 -0.99 6.66 3.08 -1.13 0.11 114.38 122.01 2dlv h ARG 34 Ca 0.47 0.03 0.31 0.00 0.07 0.00 0.00 59.98 60.85 2dlv h ARG 34 Cb 0.83 0.09 -0.18 0.00 0.08 0.00 0.00 29.97 30.79 2dlv h ARG 34 CO -0.52 -0.27 0.15 0.34 -1.07 0.00 0.00 179.97 178.60 2dlv n PHE 35 N -5.05 0.77 -0.02 3.04 7.35 -0.78 0.22 117.46 122.99 2dlv n PHE 35 Ca -0.04 1.19 -0.13 0.00 -0.76 0.00 0.00 57.45 57.71 2dlv n PHE 35 Cb 0.31 -1.33 -0.09 0.00 0.35 0.00 0.00 39.48 38.72 2dlv n PHE 35 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 2dlv h LEU 36 N 0.00 0.11 -0.93 -2.13 3.38 -1.04 -3.19 115.31 111.52 2dlv h LEU 36 Ca 0.67 -0.46 0.24 0.00 0.09 0.00 0.00 57.88 58.42 2dlv h LEU 36 Cb 1.50 -0.03 -0.17 0.00 0.09 0.00 0.00 40.66 42.05 2dlv h LEU 36 CO -0.89 0.55 0.02 0.11 0.09 0.00 0.00 178.44 178.32 2dlv h LYS 37 N -0.32 0.04 -0.95 1.13 1.57 0.22 0.94 116.57 119.21 2dlv h LYS 37 Ca 0.01 -0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 2dlv h LYS 37 Cb 0.51 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.76 2dlv h LYS 37 CO 0.01 0.03 0.63 1.79 -0.57 0.00 0.00 179.45 181.33 2dlv h THR 38 N 0.05 1.22 -0.44 -0.16 1.35 -1.39 -0.79 112.91 112.75 2dlv h THR 38 Ca 0.55 -0.43 0.00 0.00 -0.55 0.00 0.00 66.41 65.98 2dlv h THR 38 Cb 1.08 -0.15 0.00 0.00 -1.73 0.00 0.00 68.15 67.36 2dlv h THR 38 CO -0.85 0.23 0.00 -0.62 -0.25 0.00 0.00 175.52 174.03 2dlv n GLU 39 N -4.40 2.76 -2.94 4.72 1.02 0.29 -4.90 120.64 117.19 2dlv n GLU 39 Ca 0.12 -1.90 -0.19 0.00 -0.02 0.00 0.00 57.16 55.17 2dlv n GLU 39 Cb 0.04 -1.65 0.00 0.00 -0.02 0.00 0.00 31.44 29.81 2dlv n GLU 39 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2dlv n PHE 40 N 0.70 -1.66 -0.58 -0.32 3.01 0.83 -4.82 117.46 114.62 2dlv n PHE 40 Ca 0.17 0.29 0.06 0.00 1.01 0.00 0.00 57.45 58.99 2dlv n PHE 40 Cb 0.61 -3.13 0.15 0.00 -0.01 0.00 0.00 39.48 37.11 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 -2.14 2.88 -0.28 4.37 7.64 -0.34 -4.67 113.62 121.09 2dlv n SER 41 Ca -0.08 -2.54 -0.03 0.00 1.01 0.00 0.00 58.87 57.22 2dlv n SER 41 Cb 0.58 -0.32 0.08 0.00 -1.01 0.00 0.00 64.21 63.54 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 1.07 0.95 -0.91 1.43 9.09 -1.85 -2.49 114.58 121.87 2dlv h GLU 42 Ca 0.00 -0.06 0.38 0.00 0.05 0.00 0.00 59.36 59.73 2dlv h GLU 42 Cb 0.95 -0.21 -0.16 0.00 -1.65 0.00 0.00 28.75 27.68 2dlv h GLU 42 CO 0.07 0.63 0.50 -0.85 0.05 0.00 0.00 179.01 179.41 2dlv n GLU 43 N -4.59 -0.05 0.02 1.06 0.28 -1.26 0.58 120.64 116.68 2dlv n GLU 43 Ca 0.08 1.22 -0.11 0.00 -0.16 0.00 0.00 57.16 58.19 2dlv n GLU 43 Cb 0.06 -2.20 -0.04 0.00 1.43 0.00 0.00 31.44 30.68 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 -0.88 0.38 -1.84 4.21 -1.73 -2.31 115.58 113.42 2dlv h ASN 44 Ca 0.76 0.13 -0.21 0.00 1.21 0.00 0.00 56.30 58.18 2dlv h ASN 44 Cb 2.03 0.37 -0.00 0.00 -1.12 0.00 0.00 38.32 39.60 2dlv h ASN 44 CO -0.67 -0.34 -0.88 -0.29 -1.29 0.00 0.00 177.43 173.96 2dlv h ILE 45 N -0.39 1.42 -0.83 2.81 6.09 -0.04 -3.27 117.51 123.31 2dlv h ILE 45 Ca 0.09 -2.43 0.21 0.00 -1.37 0.00 0.00 64.86 61.35 2dlv h ILE 45 Cb 0.51 2.37 -0.13 0.00 0.47 0.00 0.00 36.82 40.04 2dlv h ILE 45 CO -0.30 0.72 0.19 -0.33 -3.07 0.00 0.00 178.15 175.36 2dlv h GLU 46 N 0.21 0.21 -0.52 2.19 5.08 -0.21 0.17 114.58 121.72 2dlv h GLU 46 Ca -0.06 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.23 2dlv h GLU 46 Cb 1.50 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.68 2dlv h GLU 46 CO 0.15 0.14 0.12 0.35 -1.00 0.00 0.00 179.01 178.77 2dlv h PHE 47 N 0.22 0.87 -0.60 4.33 3.57 -1.48 -2.52 116.94 121.34 2dlv h PHE 47 Ca 0.50 -0.11 0.12 0.00 3.53 0.00 0.00 57.97 62.01 2dlv h PHE 47 Cb 0.95 -0.25 -0.09 0.00 2.79 0.00 0.00 35.95 39.35 2dlv h PHE 47 CO -0.28 0.77 0.09 2.35 -2.23 0.00 0.00 178.31 179.01 2dlv h TRP 48 N 0.72 0.13 -0.32 0.41 7.01 -0.76 0.24 115.95 123.38 2dlv h TRP 48 Ca 0.16 0.04 -0.09 0.00 2.11 0.00 0.00 58.89 61.11 2dlv h TRP 48 Cb 0.35 0.03 -0.02 0.00 -2.10 0.00 0.00 29.16 27.42 2dlv h TRP 48 CO 0.02 -0.07 -0.16 0.82 -2.79 0.00 0.00 178.44 176.26 2dlv h ILE 49 N 0.21 1.25 -0.39 2.65 2.04 -1.26 -2.49 117.51 119.53 2dlv h ILE 49 Ca 0.31 -1.14 -0.05 0.00 1.00 0.00 0.00 64.86 64.98 2dlv h ILE 49 Cb 0.48 1.18 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 2dlv h ILE 49 CO -0.43 0.37 0.03 0.00 0.00 0.00 0.00 178.15 178.13 2dlv h ALA 50 N 1.31 1.34 0.27 1.87 0.00 -0.57 -2.20 119.26 121.28 2dlv h ALA 50 Ca 0.09 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2dlv h ALA 50 Cb 0.58 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2dlv h ALA 50 CO 0.04 0.46 -0.13 0.00 0.00 0.00 0.00 179.25 179.62 2dlv h GLU 52 N -0.73 0.16 0.23 0.00 -0.00 -1.50 0.40 114.58 113.14 2dlv h GLU 52 Ca -0.04 -0.01 -0.33 0.00 -0.00 0.00 0.00 59.36 58.98 2dlv h GLU 52 Cb 0.28 -0.04 0.04 0.00 -0.00 0.00 0.00 28.75 29.03 2dlv h GLU 52 CO 0.06 0.10 -1.44 0.22 -0.00 0.00 0.00 179.01 177.96 2dlv h ASP 53 N 0.16 0.86 -0.99 3.06 1.82 -1.43 -3.30 116.42 116.60 2dlv h ASP 53 Ca 0.66 -0.90 0.18 0.00 -0.39 0.00 0.00 57.03 56.58 2dlv h ASP 53 Cb 2.19 -0.28 -0.09 0.00 0.68 0.00 0.00 39.33 41.82 2dlv h ASP 53 CO -0.21 1.70 0.61 0.15 -1.61 0.00 0.00 179.24 179.89 2dlv h PHE 54 N 0.16 1.00 -0.28 0.28 3.04 0.19 -0.92 116.94 120.41 2dlv h PHE 54 Ca -0.25 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.74 2dlv h PHE 54 Cb 2.13 -0.31 -0.01 0.00 2.56 0.00 0.00 35.95 40.32 2dlv h PHE 54 CO 0.13 0.27 0.19 0.87 -2.02 0.00 0.00 178.31 177.75 2dlv h LYS 55 N 0.76 0.37 -0.68 1.11 1.57 -1.49 -2.74 116.57 115.47 2dlv h LYS 55 Ca 0.54 -0.02 0.24 0.00 -1.87 0.00 0.00 60.65 59.54 2dlv h LYS 55 Cb 0.85 -0.08 -0.13 0.00 0.08 0.00 0.00 32.23 32.95 2dlv h LYS 55 CO -0.32 0.25 0.21 1.63 -0.57 0.00 0.00 179.45 180.64 2dlv n LYS 56 N -4.89 -0.05 -1.57 3.15 5.02 -0.35 -4.41 118.16 115.06 2dlv n LYS 56 Ca -0.02 0.98 -0.39 0.00 -2.02 0.00 0.00 58.31 56.86 2dlv n LYS 56 Cb 0.03 -1.67 0.03 0.00 -0.02 0.00 0.00 35.03 33.40 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 -4.71 0.39 -0.01 4.39 3.41 -1.03 -4.94 113.62 111.12 2dlv n SER 57 Ca 0.22 0.87 -0.01 0.00 -0.26 0.00 0.00 58.87 59.68 2dlv n SER 57 Cb 0.72 -1.31 -0.01 0.00 -0.26 0.00 0.00 64.21 63.35 2dlv n SER 57 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2dlv n LYS 58 N -0.29 1.58 -2.00 4.33 5.02 -1.26 -4.99 118.16 120.54 2dlv n LYS 58 Ca 0.12 0.01 -0.29 0.00 -2.02 0.00 0.00 58.31 56.12 2dlv n LYS 58 Cb 0.44 -1.05 0.05 0.00 -0.02 0.00 0.00 35.03 34.45 2dlv n LYS 58 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2dlv s GLY 59 N -3.83 1.62 0.10 0.72 0.00 -1.26 -5.00 107.32 99.66 2dlv s GLY 59 Ca -0.02 -0.50 -0.15 0.00 0.00 0.00 0.00 44.72 44.04 2dlv s GLY 59 CO 0.07 -0.12 1.42 -0.56 0.00 0.00 0.00 173.10 173.90 2dlv h PRO 60 N -0.64 0.68 0.00 2.90 0.13 -2.00 -3.25 132.00 129.82 2dlv h PRO 60 Ca -0.45 -0.36 0.00 0.00 -0.87 0.00 0.00 66.00 64.32 2dlv h PRO 60 Cb 1.27 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2dlv h PRO 60 CO 0.63 0.97 0.00 1.04 -0.23 0.00 0.00 178.00 180.41 2dlv n GLN 61 N -4.28 0.00 -0.36 0.86 1.13 -1.26 -0.62 117.38 112.85 2dlv n GLN 61 Ca -0.04 0.77 0.01 0.00 -1.94 0.00 0.00 57.00 55.80 2dlv n GLN 61 Cb 0.46 -1.45 0.07 0.00 0.11 0.00 0.00 30.24 29.43 2dlv n GLN 61 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 2dlv n GLN 62 N -2.47 -0.18 -0.11 -1.09 3.00 -1.26 0.39 117.38 115.66 2dlv n GLN 62 Ca 0.00 1.48 -0.05 0.00 -0.01 0.00 0.00 57.00 58.42 2dlv n GLN 62 Cb 0.00 -2.20 0.02 0.00 0.00 0.00 0.00 30.24 28.06 2dlv n GLN 62 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.06 177.88 2dlv h ILE 63 N 0.00 0.67 0.68 5.09 2.04 -1.43 0.48 117.51 125.03 2dlv h ILE 63 Ca 0.37 -0.02 -0.03 0.00 1.00 0.00 0.00 64.86 66.18 2dlv h ILE 63 Cb 0.61 0.62 0.01 0.00 -0.74 0.00 0.00 36.82 37.32 2dlv h ILE 63 CO -0.96 0.01 -0.32 0.45 0.00 0.00 0.00 178.15 177.32 2dlv h HIS 64 N 0.05 -0.84 -0.50 1.37 3.86 0.24 0.31 115.15 119.64 2dlv h HIS 64 Ca 0.18 -0.02 0.10 0.00 -1.16 0.00 0.00 60.37 59.47 2dlv h HIS 64 Cb 0.27 0.28 -0.10 0.00 1.06 0.00 0.00 27.41 28.92 2dlv h HIS 64 CO -0.30 -0.52 -0.16 -0.07 0.86 0.00 0.00 177.93 177.74 2dlv h LEU 65 N -1.14 -0.59 -0.49 2.43 4.07 -0.16 -0.56 115.31 118.87 2dlv h LEU 65 Ca -0.09 0.16 -0.04 0.00 0.08 0.00 0.00 57.88 57.99 2dlv h LEU 65 Cb 0.69 0.36 -0.02 0.00 1.08 0.00 0.00 40.66 42.77 2dlv h LEU 65 CO 0.15 -0.20 0.15 0.11 -1.08 0.00 0.00 178.44 177.57 2dlv h LYS 66 N -0.05 0.77 -0.46 1.13 1.57 -0.07 -2.13 116.57 117.33 2dlv h LYS 66 Ca 0.24 -0.17 0.09 0.00 -1.87 0.00 0.00 60.65 58.94 2dlv h LYS 66 Cb 0.42 -0.11 -0.08 0.00 0.08 0.00 0.00 32.23 32.54 2dlv h LYS 66 CO -0.54 0.73 -0.02 0.00 -0.57 0.00 0.00 179.45 179.05 2dlv h ALA 67 N 1.01 0.41 -0.06 3.86 0.00 0.10 0.36 119.26 124.94 2dlv h ALA 67 Ca 0.16 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 2dlv h ALA 67 Cb 0.29 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 2dlv h ALA 67 CO -0.00 -0.40 0.02 -0.22 0.00 0.00 0.00 179.25 178.65 2dlv h LYS 68 N 0.09 0.09 0.67 0.00 3.64 -1.03 -0.77 116.57 119.26 2dlv h LYS 68 Ca 0.23 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.56 2dlv h LYS 68 Cb 0.34 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.14 2dlv h LYS 68 CO -0.39 0.24 -0.39 0.00 -2.27 0.00 0.00 179.45 176.64 2dlv h ALA 69 N 0.85 -1.22 -0.95 5.00 0.00 -0.80 -2.45 119.26 119.68 2dlv h ALA 69 Ca 0.02 -0.21 0.20 0.00 0.00 0.00 0.00 54.91 54.92 2dlv h ALA 69 Cb 0.19 0.49 -0.08 0.00 0.00 0.00 0.00 17.79 18.38 2dlv h ALA 69 CO -0.00 -1.17 0.61 0.82 0.00 0.00 0.00 179.25 179.51 2dlv h ILE 70 N -0.98 0.68 0.07 0.00 2.04 -0.36 -1.65 117.51 117.32 2dlv h ILE 70 Ca -0.09 -0.18 -0.00 0.00 1.00 0.00 0.00 64.86 65.59 2dlv h ILE 70 Cb 0.78 0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 36.97 2dlv h ILE 70 CO 0.10 0.10 -0.06 0.22 0.00 0.00 0.00 178.15 178.51 2dlv h TYR 71 N 0.53 -0.17 0.00 1.37 5.03 -0.80 -0.07 116.97 122.85 2dlv h TYR 71 Ca 0.51 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.82 2dlv h TYR 71 Cb 1.10 0.07 0.00 0.00 1.55 0.00 0.00 36.73 39.45 2dlv h TYR 71 CO -0.00 -0.09 0.00 0.39 -1.32 0.00 0.00 178.16 177.14 2dlv n GLU 72 N -2.62 0.17 -0.08 1.82 1.02 -0.95 -0.96 120.64 119.04 2dlv n GLU 72 Ca -0.02 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.05 2dlv n GLU 72 Cb 0.06 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 29.95 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 -1.00 0.47 -0.01 3.49 4.81 -0.55 -4.42 118.16 120.95 2dlv n LYS 73 Ca 0.04 0.53 -0.03 0.00 -0.87 0.00 0.00 58.31 57.99 2dlv n LYS 73 Cb 0.02 -1.70 -0.01 0.00 0.02 0.00 0.00 35.03 33.36 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 -4.59 0.00 -0.02 5.64 3.01 -0.15 -2.26 117.46 119.09 2dlv n PHE 74 Ca -0.11 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.34 2dlv n PHE 74 Cb 0.33 -0.10 -0.01 0.00 -0.01 0.00 0.00 39.48 39.70 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 -0.07 0.00 -2.78 4.37 1.08 -1.07 -3.02 117.51 116.02 2dlv h ILE 75 Ca -0.07 0.00 -0.40 0.00 -0.39 0.00 0.00 64.86 64.01 2dlv h ILE 75 Cb 1.07 0.00 0.21 0.00 -3.07 0.00 0.00 36.82 35.03 2dlv h ILE 75 CO -0.03 0.00 -0.30 0.00 -0.69 0.00 0.00 178.15 177.13 2dlv n GLN 76 N -3.11 -3.09 -0.11 2.37 10.64 -0.31 -4.78 117.38 119.00 2dlv n GLN 76 Ca 0.00 -0.89 -0.15 0.00 -1.83 0.00 0.00 57.00 54.12 2dlv n GLN 76 Cb 0.02 -1.93 -0.11 0.00 -0.86 0.00 0.00 30.24 27.35 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 -5.12 1.34 0.63 -0.39 -1.04 -1.26 -4.33 114.28 104.12 2dlv n THR 77 Ca 0.05 -0.55 0.00 0.00 -2.04 0.00 0.00 64.05 61.51 2dlv n THR 77 Cb 0.55 -1.22 0.00 0.00 -1.82 0.00 0.00 70.33 67.84 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 -3.12 0.42 -4.92 8.00 -0.08 -1.26 -4.68 116.55 110.90 2dlv n ASP 78 Ca -0.40 -1.05 -0.28 0.00 -1.51 0.00 0.00 54.79 51.56 2dlv n ASP 78 Cb 0.97 -0.21 -0.03 0.00 2.34 0.00 0.00 41.12 44.19 2dlv n ASP 78 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2dlv s ALA 79 N -1.20 3.79 0.29 -1.67 0.00 -1.26 -5.01 121.76 116.70 2dlv s ALA 79 Ca 0.00 -0.78 0.15 0.00 0.00 0.00 0.00 51.96 51.34 2dlv s ALA 79 Cb 0.00 -2.05 0.69 0.00 0.00 0.00 0.00 23.12 21.76 2dlv s ALA 79 CO 0.00 0.40 1.77 -1.00 0.00 0.00 0.00 175.76 176.93 2dlv h PRO 80 N 1.95 0.00 -0.28 0.00 0.13 -1.82 -2.95 132.00 129.04 2dlv h PRO 80 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2dlv h PRO 80 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2dlv h PRO 80 CO 0.68 0.41 0.00 1.63 -0.23 0.00 0.00 178.00 180.49 2dlv n LYS 81 N -3.82 2.93 -1.65 0.86 4.76 -1.07 -4.99 118.16 115.18 2dlv n LYS 81 Ca -0.01 -2.69 -0.50 0.00 -2.87 0.00 0.00 58.31 52.24 2dlv n LYS 81 Cb 0.47 -1.73 -0.05 0.00 -1.84 0.00 0.00 35.03 31.87 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 -0.30 1.68 -3.96 1.97 0.00 -0.96 -4.31 120.64 114.77 2dlv n GLU 82 Ca 0.19 0.61 -0.25 0.00 0.00 0.00 0.00 57.16 57.71 2dlv n GLU 82 Cb 0.80 -2.34 -0.03 0.00 0.00 0.00 0.00 31.44 29.87 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 1.64 1.93 -0.68 3.84 -7.23 -1.14 -4.92 120.40 113.84 2dlv s VAL 83 Ca 0.86 -1.55 -0.27 0.00 -1.81 0.00 0.00 61.98 59.20 2dlv s VAL 83 Cb -0.83 -2.49 0.03 0.00 0.56 0.00 0.00 36.38 33.65 2dlv s VAL 83 CO 0.47 0.00 1.26 0.21 -0.31 0.00 0.00 175.10 176.72 2dlv s ASN 84 N -4.14 6.25 -0.02 4.85 2.47 -1.26 -4.93 114.94 118.16 2dlv s ASN 84 Ca 0.36 -0.24 0.07 0.00 0.42 0.00 0.00 52.86 53.47 2dlv s ASN 84 Cb -0.01 -2.56 -0.02 0.00 -1.45 0.00 0.00 41.25 37.22 2dlv s ASN 84 CO 0.21 -1.72 -0.22 -0.76 -3.72 0.00 0.00 177.10 170.89 2dlv s LEU 85 N 5.50 2.03 0.52 3.21 1.43 -1.26 -4.83 118.68 125.28 2dlv s LEU 85 Ca 0.38 -0.41 -0.23 0.00 -1.03 0.00 0.00 54.13 52.84 2dlv s LEU 85 Cb -0.08 -1.16 -0.06 0.00 0.03 0.00 0.00 46.19 44.92 2dlv s LEU 85 CO 0.19 0.26 1.37 -0.62 0.23 0.00 0.00 176.35 177.78 2dlv s ASP 86 N -0.44 5.47 0.07 2.29 2.15 -1.26 -4.83 116.67 120.12 2dlv s ASP 86 Ca 0.06 2.79 -0.22 0.00 0.43 0.00 0.00 52.55 55.62 2dlv s ASP 86 Cb -0.09 -2.64 -0.09 0.00 -0.30 0.00 0.00 42.92 39.80 2dlv s ASP 86 CO -0.00 -1.44 1.35 0.15 -0.17 0.00 0.00 175.17 175.06 2dlv h PHE 87 N 1.72 -0.99 -0.85 -5.34 3.04 -1.99 -1.13 116.94 111.39 2dlv h PHE 87 Ca -0.51 0.03 0.11 0.00 3.98 0.00 0.00 57.97 61.59 2dlv h PHE 87 Cb 1.29 0.43 -0.13 0.00 2.56 0.00 0.00 35.95 40.10 2dlv h PHE 87 CO 0.47 -0.37 -0.46 1.25 -2.02 0.00 0.00 178.31 177.18 2dlv h HIS 88 N -0.45 -1.37 -0.67 0.41 2.76 -1.98 0.35 115.15 114.20 2dlv h HIS 88 Ca 0.00 0.10 0.14 0.00 -2.20 0.00 0.00 60.37 58.41 2dlv h HIS 88 Cb 0.47 0.72 -0.10 0.00 1.55 0.00 0.00 27.41 30.05 2dlv h HIS 88 CO -0.43 -0.40 0.14 1.15 -1.30 0.00 0.00 177.93 177.09 2dlv h THR 89 N -0.08 0.57 0.54 6.26 2.02 -1.84 0.21 112.91 120.58 2dlv h THR 89 Ca 0.24 -0.09 -0.03 0.00 0.77 0.00 0.00 66.41 67.31 2dlv h THR 89 Cb 0.54 0.29 0.01 0.00 -1.74 0.00 0.00 68.15 67.24 2dlv h THR 89 CO -0.87 0.05 -0.26 0.11 0.37 0.00 0.00 175.52 174.91 2dlv h LYS 90 N 0.25 -0.70 -0.63 6.66 1.57 0.79 -2.31 116.57 122.19 2dlv h LYS 90 Ca 0.36 0.05 0.13 0.00 -1.87 0.00 0.00 60.65 59.32 2dlv h LYS 90 Cb 0.58 0.16 -0.09 0.00 0.08 0.00 0.00 32.23 32.96 2dlv h LYS 90 CO -0.47 -0.40 0.11 1.49 -0.57 0.00 0.00 179.45 179.61 2dlv h GLU 91 N -0.93 0.22 -0.58 3.15 4.81 -0.04 0.21 114.58 121.42 2dlv h GLU 91 Ca -0.07 -0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.21 2dlv h GLU 91 Cb 0.63 -0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.90 2dlv h GLU 91 CO 0.12 0.15 0.27 0.28 -0.73 0.00 0.00 179.01 179.10 2dlv h VAL 92 N 0.23 0.88 -0.43 0.32 2.07 -0.56 -1.75 116.25 117.01 2dlv h VAL 92 Ca 0.34 -0.17 -0.12 0.00 0.82 0.00 0.00 66.70 67.56 2dlv h VAL 92 Cb 0.53 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 2dlv h VAL 92 CO -0.45 0.09 -0.21 0.40 0.02 0.00 0.00 177.57 177.43 2dlv h ILE 93 N 0.50 1.28 -0.72 4.57 2.04 -0.56 0.24 117.51 124.85 2dlv h ILE 93 Ca 0.27 -1.35 0.09 0.00 1.00 0.00 0.00 64.86 64.87 2dlv h ILE 93 Cb 0.25 1.24 -0.07 0.00 -0.74 0.00 0.00 36.82 37.49 2dlv h ILE 93 CO -0.22 0.46 0.37 0.74 0.00 0.00 0.00 178.15 179.49 2dlv h THR 94 N 0.72 0.85 0.00 -0.27 2.02 -0.05 1.32 112.91 117.50 2dlv h THR 94 Ca 0.09 -0.21 -0.13 0.00 0.77 0.00 0.00 66.41 66.93 2dlv h THR 94 Cb 0.77 0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 2dlv h THR 94 CO 0.06 0.11 -0.97 0.78 0.37 0.00 0.00 175.52 175.88 2dlv h ASN 95 N 0.62 0.00 -0.61 4.18 2.35 -1.27 -3.28 115.58 117.56 2dlv h ASN 95 Ca 0.36 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.11 2dlv h ASN 95 Cb 0.37 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.74 2dlv h ASN 95 CO -0.27 0.51 0.00 -0.24 -1.65 0.00 0.00 177.43 175.79 2dlv n SER 96 N -3.03 5.24 0.01 5.81 2.88 0.82 -4.31 113.62 121.04 2dlv n SER 96 Ca -0.04 -2.69 0.11 0.00 -1.33 0.00 0.00 58.87 54.92 2dlv n SER 96 Cb 0.78 -0.63 0.49 0.00 -0.75 0.00 0.00 64.21 64.09 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 0.87 0.44 -0.02 2.46 0.13 0.44 -2.10 119.36 121.58 2dlv n ILE 97 Ca 0.27 0.09 0.06 0.00 -1.10 0.00 0.00 62.75 62.07 2dlv n ILE 97 Cb 1.04 -0.72 -0.15 0.00 -0.84 0.00 0.00 39.64 38.98 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 -1.56 0.24 -1.67 9.51 -2.24 -1.26 -4.43 114.28 112.88 2dlv n THR 98 Ca 0.05 -0.50 -0.04 0.00 -2.27 0.00 0.00 64.05 61.29 2dlv n THR 98 Cb 0.28 -0.06 0.16 0.00 -2.10 0.00 0.00 70.33 68.61 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 -2.27 2.15 -2.26 -0.78 10.64 -1.15 -5.06 117.38 118.66 2dlv n GLN 99 Ca -0.09 -3.49 -0.36 0.00 -1.83 0.00 0.00 57.00 51.23 2dlv n GLN 99 Cb 0.62 -1.83 -0.00 0.00 -0.86 0.00 0.00 30.24 28.16 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 -3.34 3.53 0.38 2.61 0.04 -0.89 -5.03 135.00 132.30 2dlv s PRO 100 Ca 0.43 1.68 0.04 0.00 0.04 0.00 0.00 61.00 63.20 2dlv s PRO 100 Cb 0.39 -2.18 -0.03 0.00 0.04 0.00 0.00 34.50 32.72 2dlv s PRO 100 CO -0.03 -0.72 0.15 0.95 0.04 0.00 0.00 177.00 177.39 2dlv s THR 101 N -1.67 0.50 0.32 1.26 -4.23 -1.26 -4.89 115.64 105.67 2dlv s THR 101 Ca 0.69 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 59.39 2dlv s THR 101 Cb -0.26 -2.40 0.17 0.00 1.34 0.00 0.00 72.50 71.35 2dlv s THR 101 CO 0.30 0.00 1.88 -0.07 -0.54 0.00 0.00 174.62 176.19 2dlv h LEU 102 N 1.90 0.00 -3.39 4.79 3.38 -1.94 -2.31 115.31 117.74 2dlv h LEU 102 Ca -0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.63 2dlv h LEU 102 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 2dlv h LEU 102 CO 0.54 0.29 0.00 1.41 0.09 0.00 0.00 178.44 180.76 2dlv n HIS 103 N -3.77 1.85 -0.01 1.13 8.25 -1.26 -4.48 115.22 116.93 2dlv n HIS 103 Ca -0.01 -0.68 -0.01 0.00 -0.26 0.00 0.00 57.72 56.76 2dlv n HIS 103 Cb 0.38 -0.40 -0.00 0.00 1.12 0.00 0.00 29.99 31.09 2dlv n HIS 103 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2dlv n SER 104 N 0.86 0.24 -0.37 0.41 2.88 -0.87 -4.47 113.62 112.30 2dlv n SER 104 Ca 0.27 0.17 0.29 0.00 -1.33 0.00 0.00 58.87 58.27 2dlv n SER 104 Cb 1.07 -0.54 0.55 0.00 -0.75 0.00 0.00 64.21 64.55 2dlv n SER 104 CO 0.00 0.00 0.00 -0.26 -1.23 0.00 0.00 175.04 173.55 2dlv h PHE 105 N -0.13 0.71 -0.80 0.66 0.04 -1.80 0.29 116.94 115.92 2dlv h PHE 105 Ca 0.00 0.03 0.32 0.00 2.80 0.00 0.00 57.97 61.11 2dlv h PHE 105 Cb 0.10 -0.19 -0.14 0.00 2.20 0.00 0.00 35.95 37.92 2dlv h PHE 105 CO -0.04 -0.14 0.36 -0.25 -0.60 0.00 0.00 178.31 177.63 2dlv n ASP 106 N -4.83 0.22 0.40 2.17 9.92 -1.26 0.25 116.55 123.41 2dlv n ASP 106 Ca 0.33 1.33 -0.19 0.00 -0.53 0.00 0.00 54.79 55.72 2dlv n ASP 106 Cb 1.14 -0.62 -0.10 0.00 -0.64 0.00 0.00 41.12 40.90 2dlv n ASP 106 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2dlv h ALA 107 N 1.59 -1.25 -0.10 2.24 0.00 -1.19 -1.91 119.26 118.64 2dlv h ALA 107 Ca 0.64 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 55.36 2dlv h ALA 107 Cb 1.66 0.62 -0.05 0.00 0.00 0.00 0.00 17.79 20.02 2dlv h ALA 107 CO -0.64 -1.22 -0.22 0.00 0.00 0.00 0.00 179.25 177.18 2dlv h ALA 108 N -1.15 -0.20 -0.76 0.00 0.00 -0.38 -2.21 119.26 114.56 2dlv h ALA 108 Ca -0.10 0.03 0.17 0.00 0.00 0.00 0.00 54.91 55.01 2dlv h ALA 108 Cb 0.93 0.41 -0.14 0.00 0.00 0.00 0.00 17.79 18.99 2dlv h ALA 108 CO 0.07 -0.68 -0.07 0.37 0.00 0.00 0.00 179.25 178.93 2dlv h GLN 109 N -0.29 0.05 -0.98 0.00 4.15 -1.23 0.36 115.11 117.17 2dlv h GLN 109 Ca 0.09 -0.00 0.20 0.00 0.77 0.00 0.00 58.65 59.71 2dlv h GLN 109 Cb 0.42 -0.01 -0.11 0.00 0.21 0.00 0.00 27.48 27.99 2dlv h GLN 109 CO -0.27 0.03 0.58 1.03 -1.93 0.00 0.00 178.83 178.28 2dlv h SER 110 N 0.05 0.71 0.77 -0.69 0.87 -0.70 0.16 113.55 114.72 2dlv h SER 110 Ca 0.40 0.11 -0.03 0.00 -1.23 0.00 0.00 61.79 61.04 2dlv h SER 110 Cb 0.68 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.62 2dlv h SER 110 CO -0.72 0.21 -0.49 -0.09 -0.53 0.00 0.00 176.83 175.21 2dlv h ARG 111 N 0.68 -1.15 -0.18 2.24 1.12 -0.18 -2.72 114.38 114.20 2dlv h ARG 111 Ca 0.58 0.08 0.01 0.00 -1.11 0.00 0.00 59.98 59.54 2dlv h ARG 111 Cb 0.96 0.26 -0.01 0.00 -0.01 0.00 0.00 29.97 31.17 2dlv h ARG 111 CO -0.41 -0.76 0.09 0.28 -3.11 0.00 0.00 179.97 176.05 2dlv h VAL 112 N -1.19 1.00 -0.98 0.20 2.07 -1.21 -2.42 116.25 113.72 2dlv h VAL 112 Ca -0.10 -0.07 0.31 0.00 0.82 0.00 0.00 66.70 67.66 2dlv h VAL 112 Cb 0.96 0.79 -0.17 0.00 -1.52 0.00 0.00 31.29 31.34 2dlv h VAL 112 CO 0.09 0.03 0.24 0.22 0.02 0.00 0.00 177.57 178.17 2dlv h TYR 113 N 0.19 0.32 0.29 1.57 3.20 -0.64 -0.31 116.97 121.60 2dlv h TYR 113 Ca 0.07 0.06 -0.01 0.00 3.14 0.00 0.00 58.73 61.99 2dlv h TYR 113 Cb 0.02 0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.31 2dlv h TYR 113 CO -0.09 -0.40 -0.14 1.96 -1.64 0.00 0.00 178.16 177.85 2dlv h GLN 114 N 0.05 -0.38 -0.69 1.82 1.08 -1.14 -1.93 115.11 113.93 2dlv h GLN 114 Ca 0.67 0.03 0.22 0.00 -1.45 0.00 0.00 58.65 58.12 2dlv h GLN 114 Cb 1.54 0.09 -0.13 0.00 -0.05 0.00 0.00 27.48 28.93 2dlv h GLN 114 CO -0.82 -0.07 0.12 1.28 -0.95 0.00 0.00 178.83 178.39 2dlv n LEU 115 N -5.05 0.01 -0.02 1.46 4.77 -0.18 -0.23 117.00 117.77 2dlv n LEU 115 Ca -0.08 1.17 -0.05 0.00 -0.03 0.00 0.00 56.01 57.02 2dlv n LEU 115 Cb 0.25 -0.47 -0.04 0.00 -2.33 0.00 0.00 43.42 40.82 2dlv n LEU 115 CO 0.22 -1.22 0.16 0.24 -1.33 0.00 0.00 177.39 175.46 2dlv h MET 116 N 0.00 -0.08 -0.15 3.23 2.86 -1.46 -3.25 114.93 116.09 2dlv h MET 116 Ca 0.47 0.01 0.04 0.00 -2.06 0.00 0.00 59.70 58.16 2dlv h MET 116 Cb 1.07 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.74 2dlv h MET 116 CO -0.62 0.23 0.78 1.49 1.06 0.00 0.00 176.91 179.85 2dlv h GLU 117 N -1.00 0.00 0.00 1.72 4.81 0.23 0.71 114.58 121.06 2dlv h GLU 117 Ca -0.01 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2dlv h GLU 117 Cb 0.34 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.72 2dlv h GLU 117 CO 0.01 0.00 -0.00 1.96 -0.73 0.00 0.00 179.01 180.25 2dlv h GLN 118 N 0.00 -0.00 0.00 1.92 1.08 -0.72 -3.40 115.11 113.98 2dlv h GLN 118 Ca 0.07 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.27 2dlv h GLN 118 Cb 1.62 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.05 2dlv h GLN 118 CO -0.00 -0.00 -0.53 -0.25 -0.95 0.00 0.00 178.83 177.10 2dlv n ASP 119 N -2.07 1.12 -0.22 1.46 8.00 -0.65 -3.95 116.55 120.24 2dlv n ASP 119 Ca -0.00 0.25 0.02 0.00 0.71 0.00 0.00 54.79 55.77 2dlv n ASP 119 Cb 0.00 -0.66 0.07 0.00 -0.02 0.00 0.00 41.12 40.51 2dlv n ASP 119 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2dlv n SER 120 N -3.65 -0.27 0.05 -2.24 7.64 -0.22 0.18 113.62 115.12 2dlv n SER 120 Ca -0.07 1.04 -0.02 0.00 1.01 0.00 0.00 58.87 60.82 2dlv n SER 120 Cb 0.27 -0.29 -0.01 0.00 -1.01 0.00 0.00 64.21 63.17 2dlv n SER 120 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 2dlv h TYR 121 N 0.00 -0.12 -0.87 1.43 3.20 -1.15 0.50 116.97 119.95 2dlv h TYR 121 Ca 0.27 -0.00 0.18 0.00 3.14 0.00 0.00 58.73 62.32 2dlv h TYR 121 Cb 0.42 0.04 -0.16 0.00 1.54 0.00 0.00 36.73 38.56 2dlv h TYR 121 CO -0.48 -0.08 -0.18 1.79 -1.64 0.00 0.00 178.16 177.57 2dlv h THR 122 N -0.14 0.13 -0.33 1.81 1.35 -1.09 0.69 112.91 115.33 2dlv h THR 122 Ca -0.01 -0.00 -0.09 0.00 -0.55 0.00 0.00 66.41 65.75 2dlv h THR 122 Cb 0.10 0.12 -0.02 0.00 -1.73 0.00 0.00 68.15 66.63 2dlv h THR 122 CO 0.02 0.00 -0.19 -0.09 -0.25 0.00 0.00 175.52 175.02 2dlv h ARG 123 N 0.01 0.62 -0.80 4.72 2.43 -0.27 -2.84 114.38 118.24 2dlv h ARG 123 Ca 0.43 -0.22 0.01 0.00 -0.81 0.00 0.00 59.98 59.39 2dlv h ARG 123 Cb 0.70 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.16 2dlv h ARG 123 CO -0.88 0.77 0.52 0.35 -1.51 0.00 0.00 179.97 179.22 2dlv h PHE 124 N 0.55 1.02 -0.85 2.20 3.57 0.55 -0.48 116.94 123.50 2dlv h PHE 124 Ca 0.09 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 2dlv h PHE 124 Cb 0.63 -0.34 -0.04 0.00 2.79 0.00 0.00 35.95 38.99 2dlv h PHE 124 CO 0.03 0.65 0.48 -0.07 -2.23 0.00 0.00 178.31 177.17 2dlv h LEU 125 N 1.09 1.05 -0.12 0.59 3.38 -0.87 -1.77 115.31 118.66 2dlv h LEU 125 Ca 0.29 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.18 2dlv h LEU 125 Cb -0.11 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.37 2dlv h LEU 125 CO -0.06 0.84 0.00 0.07 0.09 0.00 0.00 178.44 179.37 2dlv h LYS 126 N 1.18 0.00 -6.79 1.13 2.10 -1.38 -3.38 116.57 109.43 2dlv h LYS 126 Ca 0.30 0.00 -0.52 0.00 -2.00 0.00 0.00 60.65 58.43 2dlv h LYS 126 Cb 0.00 0.00 0.05 0.00 -0.90 0.00 0.00 32.23 31.39 2dlv h LYS 126 CO -0.05 0.00 0.67 -1.54 -2.00 0.00 0.00 179.45 176.53 2dlv s SER 127 N -5.34 6.78 0.20 7.07 1.04 -0.25 -4.86 113.70 118.34 2dlv s SER 127 Ca 0.08 2.61 -0.12 0.00 0.48 0.00 0.00 55.95 59.00 2dlv s SER 127 Cb 0.09 -2.63 0.23 0.00 0.10 0.00 0.00 66.02 63.81 2dlv s SER 127 CO 0.62 -0.57 1.68 -0.78 0.98 0.00 0.00 173.24 175.17 2dlv h ASP 128 N 4.32 -0.18 -0.92 7.02 1.82 -1.88 -1.41 116.42 125.19 2dlv h ASP 128 Ca -0.47 0.12 0.23 0.00 -0.39 0.00 0.00 57.03 56.52 2dlv h ASP 128 Cb 1.22 0.21 -0.17 0.00 0.68 0.00 0.00 39.33 41.27 2dlv h ASP 128 CO 0.72 -0.06 -0.08 -0.38 -1.61 0.00 0.00 179.24 177.83 2dlv n ILE 129 N -5.22 -0.39 0.02 2.25 5.41 -1.26 -0.80 119.36 119.37 2dlv n ILE 129 Ca 0.07 2.05 -0.09 0.00 1.00 0.00 0.00 62.75 65.79 2dlv n ILE 129 Cb 0.30 -2.94 -0.07 0.00 -0.71 0.00 0.00 39.64 36.22 2dlv n ILE 129 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 176.55 176.77 2dlv h TYR 130 N 0.00 -0.14 -1.08 1.39 3.20 -1.47 -3.23 116.97 115.63 2dlv h TYR 130 Ca 0.51 -0.00 0.42 0.00 3.14 0.00 0.00 58.73 62.80 2dlv h TYR 130 Cb 0.97 0.05 -0.16 0.00 1.54 0.00 0.00 36.73 39.12 2dlv h TYR 130 CO -0.56 0.28 0.63 1.28 -1.64 0.00 0.00 178.16 178.15 2dlv n LEU 131 N -4.85 0.30 -0.07 2.82 4.77 -0.24 0.14 117.00 119.86 2dlv n LEU 131 Ca -0.06 1.52 -0.11 0.00 -0.03 0.00 0.00 56.01 57.33 2dlv n LEU 131 Cb 0.24 -0.74 -0.05 0.00 -2.33 0.00 0.00 43.42 40.54 2dlv n LEU 131 CO 0.20 -1.69 0.77 -0.78 -1.33 0.00 0.00 177.39 174.56 2dlv h ASP 132 N 0.00 0.37 -0.80 -1.43 1.82 -1.04 0.49 116.42 115.83 2dlv h ASP 132 Ca 0.83 -0.29 0.17 0.00 -0.39 0.00 0.00 57.03 57.35 2dlv h ASP 132 Cb 2.36 -0.10 -0.15 0.00 0.68 0.00 0.00 39.33 42.12 2dlv h ASP 132 CO -0.65 0.57 -0.15 -0.07 -1.61 0.00 0.00 179.24 177.33 2dlv h LEU 133 N 0.15 -0.66 0.11 2.28 3.38 0.12 0.82 115.31 121.51 2dlv h LEU 133 Ca 0.06 0.24 -0.30 0.00 0.09 0.00 0.00 57.88 57.97 2dlv h LEU 133 Cb 0.38 0.47 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 2dlv h LEU 133 CO 0.01 -0.26 -1.53 0.00 0.09 0.00 0.00 178.44 176.75 2dlv h MET 134 N 0.02 0.23 -0.61 1.13 -0.00 -1.46 -3.15 114.93 111.08 2dlv h MET 134 Ca 0.40 -0.40 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 2dlv h MET 134 Cb 0.65 0.15 0.00 0.00 -0.00 0.00 0.00 31.60 32.39 2dlv h MET 134 CO -0.80 1.09 0.00 0.45 -0.00 0.00 0.00 176.91 177.64 2dlv n SER 135 N -3.43 0.86 -3.10 -0.10 2.88 0.17 -4.66 113.62 106.23 2dlv n SER 135 Ca -0.16 -2.03 0.00 0.00 -1.33 0.00 0.00 58.87 55.35 2dlv n SER 135 Cb 1.04 -0.32 0.00 0.00 -0.75 0.00 0.00 64.21 64.18 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 0.24 -0.00 3.56 0.46 0.00 0.27 -4.86 105.19 104.85 2dlv n GLY 136 Ca 0.02 -1.49 -0.27 0.00 0.00 0.00 0.00 46.02 44.28 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 0.00 2.56 0.21 1.61 0.04 -1.26 -4.82 135.00 133.34 2dlv s PRO 137 Ca 0.00 -0.23 -0.09 0.00 0.04 0.00 0.00 61.00 60.72 2dlv s PRO 137 Cb 0.00 -5.02 0.26 0.00 0.04 0.00 0.00 34.50 29.78 2dlv s PRO 137 CO 0.00 -3.34 1.79 0.77 0.04 0.00 0.00 177.00 176.26 2dlv h SER 138 N 11.53 0.48 0.00 6.66 0.02 -1.89 -3.20 113.55 127.14 2dlv h SER 138 Ca 0.07 0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 61.03 2dlv h SER 138 Cb 1.01 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.50 2dlv h SER 138 CO 1.21 0.30 -0.27 -1.28 -1.14 0.00 0.00 176.83 175.65 2dlv h SER 139 N 0.62 0.00 0.00 3.07 0.87 -2.01 -3.49 113.55 112.61 2dlv h SER 139 Ca 0.31 -0.42 0.00 0.00 -1.23 0.00 0.00 61.79 60.44 2dlv h SER 139 Cb 0.25 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.21 2dlv h SER 139 CO -0.22 0.86 0.00 0.61 -0.53 0.00 0.00 176.83 177.56