#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 6.37 0.01 1.61 0.01 -1.26 -5.11 113.70 115.32 2dlv s SER 2 Ca 0.00 0.41 0.00 0.00 1.31 0.00 0.00 55.95 57.67 2dlv s SER 2 Cb 0.00 -2.01 -0.01 0.00 0.21 0.00 0.00 66.02 64.21 2dlv s SER 2 CO 0.00 -0.11 -0.02 -0.94 0.41 0.00 0.00 173.24 172.58 2dlv s SER 3 N -3.41 0.22 0.00 2.44 1.04 -1.26 -5.05 113.70 107.69 2dlv s SER 3 Ca 0.39 -0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.68 2dlv s SER 3 Cb -0.10 0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.02 2dlv s SER 3 CO 0.30 -0.05 0.00 0.61 0.98 0.00 0.00 173.24 175.08 2dlv n GLY 4 N 2.69 0.51 0.23 7.32 0.00 -1.26 -5.04 105.19 109.64 2dlv n GLY 4 Ca -0.15 -0.30 -0.07 0.00 0.00 0.00 0.00 46.02 45.50 2dlv n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2dlv h SER 5 N 0.00 0.67 -3.41 1.61 0.02 -2.05 -3.43 113.55 106.97 2dlv h SER 5 Ca 0.00 -0.10 -0.54 0.00 -0.84 0.00 0.00 61.79 60.30 2dlv h SER 5 Cb 0.00 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.33 2dlv h SER 5 CO 0.00 0.58 0.03 -0.55 -1.14 0.00 0.00 176.83 175.75 2dlv s SER 6 N -5.86 7.04 -0.07 3.07 0.15 -1.26 -4.99 113.70 111.78 2dlv s SER 6 Ca -0.13 1.31 -0.36 0.00 0.70 0.00 0.00 55.95 57.48 2dlv s SER 6 Cb 0.12 -2.38 -0.13 0.00 -1.71 0.00 0.00 66.02 61.92 2dlv s SER 6 CO 0.76 0.14 1.76 0.61 1.20 0.00 0.00 173.24 177.71 2dlv n GLY 7 N 1.12 1.20 3.76 9.45 0.00 -1.25 -4.96 105.19 114.50 2dlv n GLY 7 Ca -0.06 0.83 -0.31 0.00 0.00 0.00 0.00 46.02 46.47 2dlv n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dlv s SER 8 N 3.10 5.48 0.00 1.61 1.04 -1.24 -4.36 113.70 119.33 2dlv s SER 8 Ca 0.91 0.03 0.14 0.00 0.48 0.00 0.00 55.95 57.51 2dlv s SER 8 Cb -0.79 -1.49 0.68 0.00 0.10 0.00 0.00 66.02 64.52 2dlv s SER 8 CO 0.52 0.22 1.42 -0.81 0.98 0.00 0.00 173.24 175.57 2dlv n PRO 9 N 0.82 0.12 -0.00 4.02 -0.04 -1.26 -2.54 135.00 136.12 2dlv n PRO 9 Ca -0.11 0.20 -0.16 0.00 -0.04 0.00 0.00 63.50 63.39 2dlv n PRO 9 Cb 0.52 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.34 2dlv n PRO 9 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 2dlv h GLU 10 N 0.00 0.15 0.08 0.54 4.11 -1.98 -3.29 114.58 114.20 2dlv h GLU 10 Ca 0.00 -0.26 -0.00 0.00 0.07 0.00 0.00 59.36 59.16 2dlv h GLU 10 Cb 0.18 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2dlv h GLU 10 CO 0.00 0.90 -0.04 0.93 0.07 0.00 0.00 179.01 180.87 2dlv h GLU 11 N 0.04 -0.11 -0.40 1.06 4.39 -1.92 -3.31 114.58 114.34 2dlv h GLU 11 Ca -0.35 0.01 0.08 0.00 0.34 0.00 0.00 59.36 59.43 2dlv h GLU 11 Cb 2.03 0.02 -0.09 0.00 -0.10 0.00 0.00 28.75 30.61 2dlv h GLU 11 CO 0.09 0.23 -0.34 0.00 -1.16 0.00 0.00 179.01 177.84 2dlv h ALA 12 N -0.64 -0.21 -1.10 3.43 0.00 -1.71 0.99 119.26 120.03 2dlv h ALA 12 Ca -0.01 0.10 0.38 0.00 0.00 0.00 0.00 54.91 55.38 2dlv h ALA 12 Cb 0.39 0.72 -0.15 0.00 0.00 0.00 0.00 17.79 18.76 2dlv h ALA 12 CO 0.02 -0.74 0.65 -0.24 0.00 0.00 0.00 179.25 178.94 2dlv h VAL 13 N -0.26 0.17 -0.01 0.00 3.04 -1.71 0.23 116.25 117.71 2dlv h VAL 13 Ca 0.17 -0.06 -0.02 0.00 -1.01 0.00 0.00 66.70 65.78 2dlv h VAL 13 Cb 0.54 -0.01 0.00 0.00 -2.01 0.00 0.00 31.29 29.82 2dlv h VAL 13 CO -0.54 0.03 -0.07 0.11 -1.01 0.00 0.00 177.57 176.09 2dlv h LYS 14 N 0.17 0.06 -0.91 4.17 1.57 -0.93 -3.28 116.57 117.42 2dlv h LYS 14 Ca 0.79 -0.05 0.25 0.00 -1.87 0.00 0.00 60.65 59.76 2dlv h LYS 14 Cb 2.09 0.01 -0.16 0.00 0.08 0.00 0.00 32.23 34.25 2dlv h LYS 14 CO -0.58 0.73 0.09 -1.49 -0.57 0.00 0.00 179.45 177.64 2dlv h TRP 15 N -0.59 0.08 -1.04 -1.35 6.55 0.45 0.70 115.95 120.75 2dlv h TRP 15 Ca -0.01 0.06 0.27 0.00 0.95 0.00 0.00 58.89 60.16 2dlv h TRP 15 Cb 0.75 0.11 -0.09 0.00 -0.86 0.00 0.00 29.16 29.07 2dlv h TRP 15 CO 0.16 -0.34 0.68 0.78 -1.05 0.00 0.00 178.44 178.67 2dlv h GLY 16 N 0.08 1.04 -0.91 1.49 0.00 -1.48 -2.22 103.07 101.07 2dlv h GLY 16 Ca 0.56 -0.18 0.10 0.00 0.00 0.00 0.00 47.33 47.81 2dlv h GLY 16 CO -0.80 -0.11 -0.55 0.83 0.00 0.00 0.00 176.54 175.92 2dlv h GLU 17 N 0.35 -0.05 -3.19 4.80 5.08 0.28 -3.44 114.58 118.40 2dlv h GLU 17 Ca 0.57 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.94 2dlv h GLU 17 Cb 1.55 0.01 -0.09 0.00 0.50 0.00 0.00 28.75 30.72 2dlv h GLU 17 CO -0.25 -0.03 0.10 0.45 -1.00 0.00 0.00 179.01 178.28 2dlv s SER 18 N -5.41 -0.31 0.20 1.42 0.15 -0.83 -5.05 113.70 103.86 2dlv s SER 18 Ca -0.13 -0.45 -0.11 0.00 0.70 0.00 0.00 55.95 55.96 2dlv s SER 18 Cb 0.12 0.62 0.13 0.00 -1.71 0.00 0.00 66.02 65.18 2dlv s SER 18 CO 0.64 -1.11 1.86 0.15 1.20 0.00 0.00 173.24 175.97 2dlv h PHE 19 N 2.12 0.88 0.10 3.44 3.57 -1.86 -3.14 116.94 122.04 2dlv h PHE 19 Ca -0.27 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.24 2dlv h PHE 19 Cb 1.27 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 39.69 2dlv h PHE 19 CO 0.35 0.57 -0.31 0.22 -2.23 0.00 0.00 178.31 176.91 2dlv h ASP 20 N 0.93 -0.92 -0.70 0.41 1.82 -1.97 -2.63 116.42 113.36 2dlv h ASP 20 Ca 0.25 0.09 0.09 0.00 -0.39 0.00 0.00 57.03 57.07 2dlv h ASP 20 Cb -0.08 0.33 -0.10 0.00 0.68 0.00 0.00 39.33 40.17 2dlv h ASP 20 CO -0.05 -0.34 -0.34 0.29 -1.61 0.00 0.00 179.24 177.19 2dlv n LYS 21 N -4.21 -0.23 -0.12 0.28 4.01 -1.19 0.66 118.16 117.36 2dlv n LYS 21 Ca -0.05 1.07 -0.08 0.00 -0.51 0.00 0.00 58.31 58.73 2dlv n LYS 21 Cb 0.25 -1.58 -0.02 0.00 -0.51 0.00 0.00 35.03 33.17 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 -1.16 -0.17 -0.35 5.85 -1.49 -1.57 115.31 116.42 2dlv h LEU 22 Ca 0.18 0.20 0.03 0.00 0.84 0.00 0.00 57.88 59.13 2dlv h LEU 22 Cb 0.36 0.53 -0.03 0.00 0.37 0.00 0.00 40.66 41.88 2dlv h LEU 22 CO -0.68 -0.33 -0.05 -0.07 -0.34 0.00 0.00 178.44 176.97 2dlv h LEU 23 N -0.28 -0.17 -1.00 2.25 3.38 0.52 -2.13 115.31 117.89 2dlv h LEU 23 Ca 0.16 0.05 0.38 0.00 0.09 0.00 0.00 57.88 58.57 2dlv h LEU 23 Cb 0.55 0.11 -0.18 0.00 0.09 0.00 0.00 40.66 41.23 2dlv h LEU 23 CO -0.54 -0.06 0.41 -0.24 0.09 0.00 0.00 178.44 178.09 2dlv n SER 24 N -5.19 0.23 -4.80 -0.43 2.88 0.13 -4.26 113.62 102.19 2dlv n SER 24 Ca -0.03 1.67 -0.38 0.00 -1.33 0.00 0.00 58.87 58.80 2dlv n SER 24 Cb 0.12 -0.76 -0.06 0.00 -0.75 0.00 0.00 64.21 62.76 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 -5.64 3.78 -0.01 0.66 5.65 -0.80 -5.00 115.29 113.93 2dlv s HIS 25 Ca -0.10 1.45 -0.24 0.00 0.25 0.00 0.00 55.06 56.42 2dlv s HIS 25 Cb 0.33 -2.64 -0.16 0.00 -1.18 0.00 0.00 32.58 28.93 2dlv s HIS 25 CO 0.78 0.46 1.11 -0.09 -0.65 0.00 0.00 174.74 176.35 2dlv h ARG 26 N 4.00 -0.42 -0.64 2.88 9.65 -1.82 -1.96 114.38 126.08 2dlv h ARG 26 Ca -0.48 0.03 0.14 0.00 -1.10 0.00 0.00 59.98 58.56 2dlv h ARG 26 Cb 1.20 0.09 -0.11 0.00 -1.39 0.00 0.00 29.97 29.77 2dlv h ARG 26 CO 0.65 -0.08 -0.01 -0.44 2.80 0.00 0.00 179.97 182.88 2dlv h ASP 27 N -0.85 -0.32 -0.73 -3.80 3.32 -1.93 0.22 116.42 112.33 2dlv h ASP 27 Ca -0.04 0.16 -0.05 0.00 0.02 0.00 0.00 57.03 57.12 2dlv h ASP 27 Cb 0.52 0.30 -0.03 0.00 0.22 0.00 0.00 39.33 40.34 2dlv h ASP 27 CO 0.07 -0.14 0.25 1.23 -1.72 0.00 0.00 179.24 178.94 2dlv h GLY 28 N 0.10 1.22 0.70 2.75 0.00 -1.75 -2.09 103.07 103.99 2dlv h GLY 28 Ca 0.34 -0.70 -0.00 0.00 0.00 0.00 0.00 47.33 46.97 2dlv h GLY 28 CO -0.57 0.65 -0.03 -2.00 0.00 0.00 0.00 176.54 174.59 2dlv h LEU 29 N 1.10 -0.08 0.34 3.11 5.85 -0.21 -2.20 115.31 123.21 2dlv h LEU 29 Ca 0.24 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 2dlv h LEU 29 Cb 0.27 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 2dlv h LEU 29 CO -0.01 0.23 -0.39 -0.33 -0.34 0.00 0.00 178.44 177.60 2dlv h GLU 30 N -0.40 -0.71 -0.93 1.25 4.39 -0.59 -1.89 114.58 115.70 2dlv h GLU 30 Ca -0.01 0.05 0.24 0.00 0.34 0.00 0.00 59.36 59.98 2dlv h GLU 30 Cb 0.35 0.16 -0.13 0.00 -0.10 0.00 0.00 28.75 29.03 2dlv h GLU 30 CO 0.02 -0.47 0.45 0.00 -1.16 0.00 0.00 179.01 177.84 2dlv h ALA 31 N -1.06 1.57 0.05 3.43 0.00 -1.46 -0.50 119.26 121.27 2dlv h ALA 31 Ca -0.04 0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.05 2dlv h ALA 31 Cb 0.65 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 2dlv h ALA 31 CO -0.07 -0.35 -0.19 0.35 0.00 0.00 0.00 179.25 178.98 2dlv h PHE 32 N 0.43 -0.51 -0.81 0.00 3.57 -0.84 -2.31 116.94 116.47 2dlv h PHE 32 Ca 0.60 0.01 0.18 0.00 3.53 0.00 0.00 57.97 62.29 2dlv h PHE 32 Cb 1.17 0.22 -0.11 0.00 2.79 0.00 0.00 35.95 40.01 2dlv h PHE 32 CO -0.10 -0.28 0.28 1.15 -2.23 0.00 0.00 178.31 177.14 2dlv h THR 33 N -0.34 0.52 -0.53 4.41 2.02 -0.31 -0.08 112.91 118.60 2dlv h THR 33 Ca 0.04 -0.12 0.09 0.00 0.77 0.00 0.00 66.41 67.20 2dlv h THR 33 Cb 0.39 0.13 -0.08 0.00 -1.74 0.00 0.00 68.15 66.85 2dlv h THR 33 CO -0.15 0.06 0.10 0.03 0.37 0.00 0.00 175.52 175.93 2dlv h ARG 34 N 0.35 0.22 -0.73 6.66 3.08 -1.15 -0.07 114.38 122.74 2dlv h ARG 34 Ca 0.48 -0.01 0.14 0.00 0.07 0.00 0.00 59.98 60.65 2dlv h ARG 34 Cb 0.84 -0.05 -0.09 0.00 0.08 0.00 0.00 29.97 30.75 2dlv h ARG 34 CO -0.51 0.15 0.27 0.35 -1.07 0.00 0.00 179.97 179.16 2dlv h PHE 35 N 0.23 0.45 -0.33 3.04 3.57 -0.84 -1.27 116.94 121.79 2dlv h PHE 35 Ca 0.27 0.04 -0.11 0.00 3.53 0.00 0.00 57.97 61.70 2dlv h PHE 35 Cb 0.38 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 2dlv h PHE 35 CO -0.24 0.04 -0.21 -0.07 -2.23 0.00 0.00 178.31 175.60 2dlv h LEU 36 N 0.41 0.75 -0.89 0.59 3.38 -1.10 -3.17 115.31 115.28 2dlv h LEU 36 Ca 0.40 -0.43 0.22 0.00 0.09 0.00 0.00 57.88 58.16 2dlv h LEU 36 Cb 0.60 -0.21 -0.16 0.00 0.09 0.00 0.00 40.66 40.98 2dlv h LEU 36 CO -0.41 1.02 -0.03 0.11 0.09 0.00 0.00 178.44 179.22 2dlv h LYS 37 N 0.49 0.05 -0.53 1.13 1.57 0.15 1.22 116.57 120.66 2dlv h LYS 37 Ca 0.07 -0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.94 2dlv h LYS 37 Cb 0.76 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.03 2dlv h LYS 37 CO 0.06 0.03 0.36 1.79 -0.57 0.00 0.00 179.45 181.12 2dlv h THR 38 N 0.05 0.89 -0.64 -0.16 1.35 -1.48 0.12 112.91 113.05 2dlv h THR 38 Ca 0.50 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 66.25 2dlv h THR 38 Cb 0.93 0.54 0.00 0.00 -1.73 0.00 0.00 68.15 67.89 2dlv h THR 38 CO -0.83 0.06 0.00 -0.62 -0.25 0.00 0.00 175.52 173.88 2dlv n GLU 39 N -4.46 3.43 -2.95 4.72 -0.58 0.39 -4.93 120.64 116.25 2dlv n GLU 39 Ca 0.08 -2.79 -0.19 0.00 -0.42 0.00 0.00 57.16 53.85 2dlv n GLU 39 Cb 0.36 -1.78 0.00 0.00 -0.57 0.00 0.00 31.44 29.46 2dlv n GLU 39 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 2dlv n PHE 40 N 1.15 -1.67 -0.32 -0.32 3.01 0.53 -4.81 117.46 115.03 2dlv n PHE 40 Ca 0.24 0.30 0.04 0.00 1.01 0.00 0.00 57.45 59.05 2dlv n PHE 40 Cb 0.80 -3.15 0.10 0.00 -0.01 0.00 0.00 39.48 37.22 2dlv n PHE 40 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2dlv n SER 41 N -2.15 2.55 -0.17 4.37 2.88 -0.57 -4.66 113.62 115.87 2dlv n SER 41 Ca -0.08 -2.27 0.05 0.00 -1.33 0.00 0.00 58.87 55.23 2dlv n SER 41 Cb 0.58 -0.20 0.34 0.00 -0.75 0.00 0.00 64.21 64.19 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 0.83 0.76 -1.38 -1.46 -0.00 -1.83 -1.70 114.58 109.80 2dlv h GLU 42 Ca 0.00 -0.05 0.40 0.00 -0.00 0.00 0.00 59.36 59.72 2dlv h GLU 42 Cb 0.75 -0.17 -0.07 0.00 -0.00 0.00 0.00 28.75 29.26 2dlv h GLU 42 CO 0.02 0.50 0.97 1.05 -0.00 0.00 0.00 179.01 181.56 2dlv h GLU 43 N 0.78 0.05 -0.91 1.06 4.11 -1.91 0.48 114.58 118.24 2dlv h GLU 43 Ca 0.29 -0.00 0.11 0.00 0.07 0.00 0.00 59.36 59.82 2dlv h GLU 43 Cb 0.15 -0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.31 2dlv h GLU 43 CO -0.09 0.04 0.55 -0.91 0.07 0.00 0.00 179.01 178.67 2dlv h ASN 44 N 0.05 0.80 1.01 3.06 4.21 -1.62 -1.49 115.58 121.61 2dlv h ASN 44 Ca 0.69 0.05 -0.15 0.00 1.21 0.00 0.00 56.30 58.10 2dlv h ASN 44 Cb 2.59 -0.11 -0.02 0.00 -1.12 0.00 0.00 38.32 39.66 2dlv h ASN 44 CO -0.09 0.44 -1.06 -0.29 -1.29 0.00 0.00 177.43 175.14 2dlv h ILE 45 N 0.89 0.69 -0.97 2.81 6.09 -0.26 -3.29 117.51 123.47 2dlv h ILE 45 Ca 0.44 -2.14 0.11 0.00 -1.37 0.00 0.00 64.86 61.91 2dlv h ILE 45 Cb 0.42 2.21 -0.08 0.00 0.47 0.00 0.00 36.82 39.84 2dlv h ILE 45 CO -0.26 0.39 0.62 -0.33 -3.07 0.00 0.00 178.15 175.50 2dlv h GLU 46 N 0.00 0.94 0.01 2.19 4.39 -0.50 -1.39 114.58 120.22 2dlv h GLU 46 Ca -0.10 -0.06 -0.13 0.00 0.34 0.00 0.00 59.36 59.42 2dlv h GLU 46 Cb 1.52 -0.21 0.01 0.00 -0.10 0.00 0.00 28.75 29.96 2dlv h GLU 46 CO 0.06 0.62 -0.52 0.35 -1.16 0.00 0.00 179.01 178.36 2dlv h PHE 47 N 0.97 0.50 -0.75 4.33 3.04 -1.60 -3.01 116.94 120.41 2dlv h PHE 47 Ca 0.46 -0.28 0.15 0.00 3.98 0.00 0.00 57.97 62.28 2dlv h PHE 47 Cb 0.44 -0.05 -0.10 0.00 2.56 0.00 0.00 35.95 38.80 2dlv h PHE 47 CO -0.00 1.11 0.29 2.35 -2.02 0.00 0.00 178.31 180.03 2dlv h TRP 48 N -0.25 0.49 -0.38 0.41 7.01 -1.50 -1.04 115.95 120.69 2dlv h TRP 48 Ca -0.07 0.04 -0.05 0.00 2.11 0.00 0.00 58.89 60.92 2dlv h TRP 48 Cb 1.26 -0.10 -0.01 0.00 -2.10 0.00 0.00 29.16 28.20 2dlv h TRP 48 CO 0.16 0.04 0.06 0.82 -2.79 0.00 0.00 178.44 176.74 2dlv h ILE 49 N 0.42 1.24 -0.85 2.65 2.04 -1.35 -2.97 117.51 118.70 2dlv h ILE 49 Ca 0.42 -0.85 0.19 0.00 1.00 0.00 0.00 64.86 65.61 2dlv h ILE 49 Cb 0.65 1.06 -0.11 0.00 -0.74 0.00 0.00 36.82 37.67 2dlv h ILE 49 CO -0.42 0.29 0.36 0.00 0.00 0.00 0.00 178.15 178.38 2dlv h ALA 50 N 0.92 1.29 0.39 1.87 0.00 -1.06 -1.67 119.26 120.99 2dlv h ALA 50 Ca 0.12 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 2dlv h ALA 50 Cb 0.36 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2dlv h ALA 50 CO 0.01 -0.27 -0.35 0.00 0.00 0.00 0.00 179.25 178.64 2dlv h GLU 52 N -0.75 -0.17 0.00 0.00 4.39 -1.31 0.30 114.58 117.04 2dlv h GLU 52 Ca -0.03 0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.61 2dlv h GLU 52 Cb 0.66 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.34 2dlv h GLU 52 CO -0.04 -0.12 -0.33 0.22 -1.16 0.00 0.00 179.01 177.59 2dlv h ASP 53 N -0.18 0.00 -0.05 1.42 1.82 -1.23 -2.95 116.42 115.25 2dlv h ASP 53 Ca 0.21 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.85 2dlv h ASP 53 Cb 0.53 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.53 2dlv h ASP 53 CO -0.60 0.33 0.00 0.15 -1.61 0.00 0.00 179.24 177.52 2dlv h PHE 54 N 0.00 0.08 -0.65 0.28 3.04 0.42 -3.14 116.94 116.97 2dlv h PHE 54 Ca -0.00 -0.01 -0.00 0.00 3.98 0.00 0.00 57.97 61.93 2dlv h PHE 54 Cb 0.75 -0.02 -0.03 0.00 2.56 0.00 0.00 35.95 39.21 2dlv h PHE 54 CO 0.00 0.34 0.40 1.57 -2.02 0.00 0.00 178.31 178.59 2dlv h LYS 55 N -0.19 0.87 -1.76 1.11 2.10 -0.79 -2.40 116.57 115.52 2dlv h LYS 55 Ca 0.01 -0.07 0.53 0.00 -2.00 0.00 0.00 60.65 59.12 2dlv h LYS 55 Cb 0.30 -0.19 -0.09 0.00 -0.90 0.00 0.00 32.23 31.35 2dlv h LYS 55 CO 0.00 0.62 1.24 1.63 -2.00 0.00 0.00 179.45 180.94 2dlv n LYS 56 N -4.59 -0.01 -1.64 0.07 5.02 -1.12 -4.48 118.16 111.41 2dlv n LYS 56 Ca 0.05 1.08 -0.43 0.00 -2.02 0.00 0.00 58.31 56.99 2dlv n LYS 56 Cb 0.05 -2.39 -0.01 0.00 -0.02 0.00 0.00 35.03 32.66 2dlv n LYS 56 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2dlv n SER 57 N -4.04 1.91 -0.11 4.39 2.88 -0.91 -4.93 113.62 112.82 2dlv n SER 57 Ca 0.42 1.17 -0.14 0.00 -1.33 0.00 0.00 58.87 58.98 2dlv n SER 57 Cb 1.83 -1.38 -0.11 0.00 -0.75 0.00 0.00 64.21 63.80 2dlv n SER 57 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2dlv n LYS 58 N 0.55 0.64 -3.12 -1.46 4.81 -1.26 -5.01 118.16 113.31 2dlv n LYS 58 Ca 0.07 0.11 -0.22 0.00 -0.87 0.00 0.00 58.31 57.40 2dlv n LYS 58 Cb 0.35 -1.44 0.01 0.00 0.02 0.00 0.00 35.03 33.97 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 -5.98 1.56 -0.02 3.14 0.00 -1.26 -5.04 107.32 99.72 2dlv s GLY 59 Ca -0.27 -1.13 -0.26 0.00 0.00 0.00 0.00 44.72 43.06 2dlv s GLY 59 CO 0.53 -0.99 1.27 -0.56 0.00 0.00 0.00 173.10 173.35 2dlv h PRO 60 N 0.53 -0.00 -0.33 2.90 0.13 -1.99 -3.26 132.00 129.98 2dlv h PRO 60 Ca -0.46 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.70 2dlv h PRO 60 Cb 1.25 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.34 2dlv h PRO 60 CO 0.57 0.48 -0.20 0.94 -0.23 0.00 0.00 178.00 179.56 2dlv n GLN 61 N -4.86 -0.15 -0.21 0.86 0.00 -1.26 -0.33 117.38 111.44 2dlv n GLN 61 Ca -0.08 1.04 -0.03 0.00 -0.00 0.00 0.00 57.00 57.92 2dlv n GLN 61 Cb 0.25 -1.54 0.03 0.00 0.00 0.00 0.00 30.24 28.98 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 -0.11 -0.63 3.69 5.75 -2.00 0.32 115.11 122.13 2dlv h GLN 62 Ca 0.05 0.01 0.13 0.00 -0.15 0.00 0.00 58.65 58.69 2dlv h GLN 62 Cb 0.14 0.02 -0.12 0.00 1.07 0.00 0.00 27.48 28.60 2dlv h GLN 62 CO -0.31 -0.07 -0.11 0.82 -2.65 0.00 0.00 178.83 176.51 2dlv h ILE 63 N -0.11 0.40 0.05 2.39 2.04 -0.71 -0.77 117.51 120.80 2dlv h ILE 63 Ca 0.26 -0.01 0.02 0.00 1.00 0.00 0.00 64.86 66.13 2dlv h ILE 63 Cb 0.54 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 2dlv h ILE 63 CO -0.69 0.01 -0.13 0.45 0.00 0.00 0.00 178.15 177.78 2dlv h HIS 64 N 0.03 -0.35 0.12 1.37 3.86 0.65 0.30 115.15 121.13 2dlv h HIS 64 Ca 0.31 0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.54 2dlv h HIS 64 Cb 0.49 0.15 -0.04 0.00 1.06 0.00 0.00 27.41 29.07 2dlv h HIS 64 CO -0.47 -0.20 -0.44 -0.07 0.86 0.00 0.00 177.93 177.61 2dlv h LEU 65 N -0.25 -1.31 -0.11 2.43 3.38 -0.31 -0.71 115.31 118.44 2dlv h LEU 65 Ca 0.03 0.14 0.03 0.00 0.09 0.00 0.00 57.88 58.17 2dlv h LEU 65 Cb 0.28 0.48 -0.04 0.00 0.09 0.00 0.00 40.66 41.47 2dlv h LEU 65 CO -0.10 -0.47 -0.11 0.11 0.09 0.00 0.00 178.44 177.96 2dlv h LYS 66 N -0.64 -0.13 -0.81 1.13 1.57 -1.12 -0.78 116.57 115.79 2dlv h LYS 66 Ca -0.01 0.01 0.19 0.00 -1.87 0.00 0.00 60.65 58.97 2dlv h LYS 66 Cb 0.64 0.03 -0.14 0.00 0.08 0.00 0.00 32.23 32.84 2dlv h LYS 66 CO -0.22 -0.09 0.03 0.00 -0.57 0.00 0.00 179.45 178.60 2dlv h ALA 67 N 0.93 0.89 0.28 3.86 0.00 -0.11 0.31 119.26 125.43 2dlv h ALA 67 Ca 0.08 0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 2dlv h ALA 67 Cb 0.25 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2dlv h ALA 67 CO -0.19 -0.44 -0.14 -0.22 0.00 0.00 0.00 179.25 178.26 2dlv h LYS 68 N 0.10 -0.37 -0.08 0.00 3.64 -0.56 -0.65 116.57 118.66 2dlv h LYS 68 Ca 0.45 0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.89 2dlv h LYS 68 Cb 0.83 0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 32.67 2dlv h LYS 68 CO -0.70 -0.04 -0.44 0.00 -2.27 0.00 0.00 179.45 175.99 2dlv h ALA 69 N -0.20 -0.68 -0.76 5.00 0.00 -0.11 -1.11 119.26 121.40 2dlv h ALA 69 Ca -0.04 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.86 2dlv h ALA 69 Cb 0.50 0.81 -0.04 0.00 0.00 0.00 0.00 17.79 19.06 2dlv h ALA 69 CO 0.06 -0.97 0.50 0.82 0.00 0.00 0.00 179.25 179.67 2dlv h ILE 70 N -0.55 1.15 0.01 0.00 2.04 -0.50 -1.98 117.51 117.68 2dlv h ILE 70 Ca 0.06 -0.33 -0.00 0.00 1.00 0.00 0.00 64.86 65.58 2dlv h ILE 70 Cb 0.65 0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.82 2dlv h ILE 70 CO -0.37 0.18 -0.02 0.22 0.00 0.00 0.00 178.15 178.16 2dlv h TYR 71 N 0.98 -0.06 0.00 1.37 5.03 0.12 0.34 116.97 124.75 2dlv h TYR 71 Ca 0.29 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.60 2dlv h TYR 71 Cb -0.02 0.02 0.00 0.00 1.55 0.00 0.00 36.73 38.28 2dlv h TYR 71 CO -0.00 -0.02 0.00 0.39 -1.32 0.00 0.00 178.16 177.21 2dlv n GLU 72 N -2.46 0.22 -0.11 1.82 1.02 -0.77 0.09 120.64 120.45 2dlv n GLU 72 Ca -0.00 0.04 -0.23 0.00 -0.02 0.00 0.00 57.16 56.94 2dlv n GLU 72 Cb 0.02 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 29.83 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 -1.05 0.57 -0.01 3.49 4.81 -0.34 -4.20 118.16 121.42 2dlv n LYS 73 Ca 0.06 0.51 -0.03 0.00 -0.87 0.00 0.00 58.31 57.97 2dlv n LYS 73 Cb 0.03 -1.69 -0.01 0.00 0.02 0.00 0.00 35.03 33.38 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 -4.39 0.00 0.00 5.64 3.01 0.11 -2.60 117.46 119.22 2dlv n PHE 74 Ca -0.37 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.08 2dlv n PHE 74 Cb 0.72 -0.10 -0.01 0.00 -0.01 0.00 0.00 39.48 40.08 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 -0.08 0.00 -3.56 4.37 1.08 -0.37 -3.21 117.51 115.75 2dlv h ILE 75 Ca -0.07 0.00 -0.57 0.00 -0.39 0.00 0.00 64.86 63.83 2dlv h ILE 75 Cb 1.07 0.00 0.15 0.00 -3.07 0.00 0.00 36.82 34.97 2dlv h ILE 75 CO -0.04 0.00 0.22 0.00 -0.69 0.00 0.00 178.15 177.65 2dlv n GLN 76 N -2.80 1.15 0.09 2.37 10.64 0.26 -4.88 117.38 124.21 2dlv n GLN 76 Ca -0.01 0.43 -0.08 0.00 -1.83 0.00 0.00 57.00 55.51 2dlv n GLN 76 Cb 0.03 -2.22 -0.01 0.00 -0.86 0.00 0.00 30.24 27.18 2dlv n GLN 76 CO 0.00 0.00 0.00 1.15 -1.83 0.00 0.00 177.06 176.38 2dlv h THR 77 N 0.89 1.51 0.00 -0.39 2.02 -1.91 -3.11 112.91 111.92 2dlv h THR 77 Ca -0.48 -2.68 0.00 0.00 0.77 0.00 0.00 66.41 64.02 2dlv h THR 77 Cb 1.35 2.50 0.00 0.00 -1.74 0.00 0.00 68.15 70.25 2dlv h THR 77 CO 0.53 0.78 0.00 -0.67 0.37 0.00 0.00 175.52 176.53 2dlv n ASP 78 N -3.63 0.53 -4.89 4.18 2.03 -1.26 -4.77 116.55 108.73 2dlv n ASP 78 Ca -0.03 -1.35 -0.33 0.00 0.52 0.00 0.00 54.79 53.59 2dlv n ASP 78 Cb 0.82 -0.27 -0.05 0.00 -0.72 0.00 0.00 41.12 40.90 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 -1.21 3.87 0.27 -1.67 0.00 -1.18 -5.00 121.76 116.84 2dlv s ALA 79 Ca 0.00 -0.63 0.19 0.00 0.00 0.00 0.00 51.96 51.52 2dlv s ALA 79 Cb 0.00 -2.02 0.82 0.00 0.00 0.00 0.00 23.12 21.91 2dlv s ALA 79 CO 0.00 0.69 1.81 -1.00 0.00 0.00 0.00 175.76 177.26 2dlv h PRO 80 N 3.68 0.00 -0.39 0.00 0.13 -1.83 -2.83 132.00 130.76 2dlv h PRO 80 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 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 0.69 0.34 0.00 1.63 -0.23 0.00 0.00 178.00 180.43 2dlv n LYS 81 N -3.70 3.43 -1.53 0.86 4.76 -1.07 -5.00 118.16 115.91 2dlv n LYS 81 Ca -0.01 -2.81 -0.51 0.00 -2.87 0.00 0.00 58.31 52.11 2dlv n LYS 81 Cb 0.44 -1.86 -0.07 0.00 -1.84 0.00 0.00 35.03 31.71 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 0.07 1.30 -2.73 1.97 -0.00 -1.07 -4.43 120.64 115.74 2dlv n GLU 82 Ca 0.22 0.40 -0.22 0.00 -0.00 0.00 0.00 57.16 57.56 2dlv n GLU 82 Cb 0.89 -2.47 0.08 0.00 -0.00 0.00 0.00 31.44 29.94 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 6.28 2.27 -0.64 3.84 -7.23 -1.21 -5.01 120.40 118.69 2dlv s VAL 83 Ca 1.05 -0.73 -0.27 0.00 -1.81 0.00 0.00 61.98 60.22 2dlv s VAL 83 Cb -0.84 -2.54 0.01 0.00 0.56 0.00 0.00 36.38 33.57 2dlv s VAL 83 CO 0.52 0.00 1.44 0.20 -0.31 0.00 0.00 175.10 176.95 2dlv s ASN 84 N -4.65 5.99 0.03 4.85 0.01 -1.26 -4.95 114.94 114.96 2dlv s ASN 84 Ca 0.63 0.02 0.06 0.00 -0.71 0.00 0.00 52.86 52.87 2dlv s ASN 84 Cb -0.06 -2.55 -0.02 0.00 0.41 0.00 0.00 41.25 39.03 2dlv s ASN 84 CO 0.41 -1.88 -0.19 -0.76 -1.51 0.00 0.00 177.10 173.18 2dlv s LEU 85 N 6.48 2.13 0.45 0.60 1.43 -1.26 -4.75 118.68 123.76 2dlv s LEU 85 Ca 0.49 -0.45 -0.23 0.00 -1.03 0.00 0.00 54.13 52.90 2dlv s LEU 85 Cb -0.10 -0.88 -0.07 0.00 0.03 0.00 0.00 46.19 45.16 2dlv s LEU 85 CO 0.21 0.15 1.20 -0.62 0.23 0.00 0.00 176.35 177.52 2dlv s ASP 86 N -0.95 6.16 0.16 2.29 2.15 -1.26 -4.87 116.67 120.34 2dlv s ASP 86 Ca 0.06 2.39 -0.20 0.00 0.43 0.00 0.00 52.55 55.23 2dlv s ASP 86 Cb -0.08 -2.61 0.07 0.00 -0.30 0.00 0.00 42.92 40.00 2dlv s ASP 86 CO 0.01 -0.93 1.64 0.15 -0.17 0.00 0.00 175.17 175.86 2dlv h PHE 87 N 2.15 -0.51 -0.06 -5.34 3.04 -2.00 -1.06 116.94 113.16 2dlv h PHE 87 Ca -0.49 0.04 0.04 0.00 3.98 0.00 0.00 57.97 61.54 2dlv h PHE 87 Cb 1.25 0.28 -0.06 0.00 2.56 0.00 0.00 35.95 39.98 2dlv h PHE 87 CO 0.53 -0.28 -0.35 1.25 -2.02 0.00 0.00 178.31 177.44 2dlv h HIS 88 N -0.15 -0.96 -0.85 0.41 2.76 -1.99 0.14 115.15 114.50 2dlv h HIS 88 Ca 0.17 0.04 0.16 0.00 -2.20 0.00 0.00 60.37 58.53 2dlv h HIS 88 Cb 0.42 0.43 -0.10 0.00 1.55 0.00 0.00 27.41 29.71 2dlv h HIS 88 CO -0.41 -0.43 0.42 1.15 -1.30 0.00 0.00 177.93 177.36 2dlv h THR 89 N -0.46 0.69 -0.04 6.26 2.02 -1.80 0.95 112.91 120.53 2dlv h THR 89 Ca 0.07 -0.20 -0.00 0.00 0.77 0.00 0.00 66.41 67.05 2dlv h THR 89 Cb 0.58 0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 67.05 2dlv h THR 89 CO -0.32 0.11 0.01 0.11 0.37 0.00 0.00 175.52 175.79 2dlv h LYS 90 N 0.58 0.06 0.64 6.66 1.57 -0.18 -2.62 116.57 123.27 2dlv h LYS 90 Ca 0.47 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 59.21 2dlv h LYS 90 Cb 0.71 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.00 2dlv h LYS 90 CO -0.39 0.30 -0.43 1.49 -0.57 0.00 0.00 179.45 179.85 2dlv h GLU 91 N -0.18 -0.98 -0.80 3.15 4.57 0.19 -0.52 114.58 120.01 2dlv h GLU 91 Ca 0.01 0.07 0.17 0.00 -1.18 0.00 0.00 59.36 58.43 2dlv h GLU 91 Cb 0.26 0.22 -0.15 0.00 -0.16 0.00 0.00 28.75 28.93 2dlv h GLU 91 CO 0.00 -0.65 -0.11 0.28 -1.18 0.00 0.00 179.01 177.35 2dlv h VAL 92 N -1.01 0.23 -0.76 0.32 2.07 -0.90 0.35 116.25 116.55 2dlv h VAL 92 Ca -0.08 -0.01 -0.05 0.00 0.82 0.00 0.00 66.70 67.38 2dlv h VAL 92 Cb 0.83 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 2dlv h VAL 92 CO 0.06 0.01 0.28 0.40 0.02 0.00 0.00 177.57 178.33 2dlv h ILE 93 N 0.03 1.26 -0.74 4.57 2.04 -1.22 0.32 117.51 123.78 2dlv h ILE 93 Ca 0.41 -0.85 0.11 0.00 1.00 0.00 0.00 64.86 65.54 2dlv h ILE 93 Cb 0.69 0.37 -0.08 0.00 -0.74 0.00 0.00 36.82 37.06 2dlv h ILE 93 CO -0.78 0.34 0.34 0.74 0.00 0.00 0.00 178.15 178.80 2dlv h THR 94 N 1.12 0.77 0.03 -0.27 2.02 0.14 0.98 112.91 117.71 2dlv h THR 94 Ca 0.25 -0.19 -0.27 0.00 0.77 0.00 0.00 66.41 66.97 2dlv h THR 94 Cb 0.25 0.17 -0.03 0.00 -1.74 0.00 0.00 68.15 66.80 2dlv h THR 94 CO -0.02 0.10 -1.43 0.78 0.37 0.00 0.00 175.52 175.32 2dlv h ASN 95 N 0.55 0.11 -0.38 4.18 2.35 -1.13 -3.29 115.58 117.98 2dlv h ASN 95 Ca 0.38 -0.17 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 2dlv h ASN 95 Cb 0.48 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.81 2dlv h ASN 95 CO -0.32 1.14 0.00 -0.24 -1.65 0.00 0.00 177.43 176.36 2dlv n SER 96 N -3.27 3.63 0.01 5.81 2.88 0.11 -4.11 113.62 118.69 2dlv n SER 96 Ca -0.11 -2.45 0.11 0.00 -1.33 0.00 0.00 58.87 55.08 2dlv n SER 96 Cb 1.01 -0.55 0.47 0.00 -0.75 0.00 0.00 64.21 64.40 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 0.49 0.49 0.08 2.46 0.13 0.33 -1.74 119.36 121.60 2dlv n ILE 97 Ca 0.17 0.10 0.07 0.00 -1.10 0.00 0.00 62.75 61.99 2dlv n ILE 97 Cb 0.74 -0.74 -0.11 0.00 -0.84 0.00 0.00 39.64 38.69 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 -1.58 0.00 -1.40 9.51 5.66 -1.26 -4.47 114.28 120.75 2dlv n THR 98 Ca 0.05 -0.32 0.05 0.00 -3.05 0.00 0.00 64.05 60.79 2dlv n THR 98 Cb 0.27 0.27 0.19 0.00 -1.55 0.00 0.00 70.33 69.51 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 -1.93 1.64 -2.18 1.09 1.13 -1.14 -5.04 117.38 110.95 2dlv n GLN 99 Ca -0.02 -3.07 -0.42 0.00 -1.94 0.00 0.00 57.00 51.55 2dlv n GLN 99 Cb 0.36 -1.64 -0.03 0.00 0.11 0.00 0.00 30.24 29.05 2dlv n GLN 99 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 2dlv s PRO 100 N -3.12 4.28 0.72 -1.09 0.04 -0.71 -5.03 135.00 130.08 2dlv s PRO 100 Ca 0.38 2.02 0.01 0.00 0.04 0.00 0.00 61.00 63.45 2dlv s PRO 100 Cb 0.35 -3.55 0.13 0.00 0.04 0.00 0.00 34.50 31.48 2dlv s PRO 100 CO -0.02 -0.58 0.99 0.95 0.04 0.00 0.00 177.00 178.37 2dlv s THR 101 N 2.32 2.06 0.60 1.26 -4.23 -1.26 -4.85 115.64 111.53 2dlv s THR 101 Ca 0.65 -0.67 0.36 0.00 -1.18 0.00 0.00 61.69 60.85 2dlv s THR 101 Cb -0.33 -2.39 0.36 0.00 1.34 0.00 0.00 72.50 71.48 2dlv s THR 101 CO 0.27 0.00 2.10 -0.07 -0.54 0.00 0.00 174.62 176.38 2dlv h LEU 102 N -0.48 0.00 -3.12 4.79 3.38 -1.95 0.30 115.31 118.24 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 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 2dlv h LEU 102 CO 0.38 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.91 2dlv n HIS 103 N -2.91 0.53 -0.10 1.13 1.44 -1.26 -4.49 115.22 109.56 2dlv n HIS 103 Ca -0.02 -0.84 0.13 0.00 -2.01 0.00 0.00 57.72 54.98 2dlv n HIS 103 Cb 0.21 -0.21 0.51 0.00 0.12 0.00 0.00 29.99 30.62 2dlv n HIS 103 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 2dlv h SER 104 N 1.15 0.35 -0.46 4.39 4.64 -0.72 0.29 113.55 123.19 2dlv h SER 104 Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 2dlv h SER 104 Cb 1.15 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 2dlv h SER 104 CO 0.11 0.20 0.00 0.49 -0.87 0.00 0.00 176.83 176.76 2dlv n PHE 105 N -4.47 1.38 -0.32 4.77 3.72 -1.26 -4.35 117.46 116.93 2dlv n PHE 105 Ca 0.11 -0.50 -0.04 0.00 -0.05 0.00 0.00 57.45 56.96 2dlv n PHE 105 Cb 0.42 -0.32 0.08 0.00 -0.94 0.00 0.00 39.48 38.72 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 3.05 1.12 0.03 4.37 1.82 -0.75 -1.32 116.42 124.73 2dlv h ASP 106 Ca 0.00 -0.12 -0.00 0.00 -0.39 0.00 0.00 57.03 56.51 2dlv h ASP 106 Cb 1.42 -0.29 0.00 0.00 0.68 0.00 0.00 39.33 41.14 2dlv h ASP 106 CO 0.29 0.93 -0.01 0.00 -1.61 0.00 0.00 179.24 178.84 2dlv h ALA 107 N 1.24 -0.04 -0.90 -0.78 0.00 -1.78 -3.29 119.26 113.71 2dlv h ALA 107 Ca 0.30 -0.30 0.21 0.00 0.00 0.00 0.00 54.91 55.13 2dlv h ALA 107 Cb 0.09 0.01 -0.12 0.00 0.00 0.00 0.00 17.79 17.77 2dlv h ALA 107 CO -0.04 -0.06 0.43 0.00 0.00 0.00 0.00 179.25 179.57 2dlv h ALA 108 N -0.33 1.46 -0.65 0.00 0.00 -1.82 0.87 119.26 118.79 2dlv h ALA 108 Ca -0.00 0.15 0.08 0.00 0.00 0.00 0.00 54.91 55.14 2dlv h ALA 108 Cb 0.62 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.45 2dlv h ALA 108 CO 0.01 -0.30 0.31 0.37 0.00 0.00 0.00 179.25 179.64 2dlv h GLN 109 N 0.45 0.53 -0.44 0.00 4.15 -1.35 -2.32 115.11 116.13 2dlv h GLN 109 Ca 0.56 -0.03 0.09 0.00 0.77 0.00 0.00 58.65 60.04 2dlv h GLN 109 Cb 1.03 -0.12 -0.09 0.00 0.21 0.00 0.00 27.48 28.51 2dlv h GLN 109 CO -0.50 0.35 -0.21 1.03 -1.93 0.00 0.00 178.83 177.57 2dlv h SER 110 N 0.55 -0.71 -0.20 -0.69 0.87 -0.89 0.34 113.55 112.82 2dlv h SER 110 Ca 0.32 0.16 0.04 0.00 -1.23 0.00 0.00 61.79 61.08 2dlv h SER 110 Cb 0.32 0.39 -0.07 0.00 -0.44 0.00 0.00 62.40 62.60 2dlv h SER 110 CO -0.26 -0.24 -0.52 0.03 -0.53 0.00 0.00 176.83 175.32 2dlv h ARG 111 N -0.12 -0.50 0.97 2.24 2.47 -1.38 0.83 114.38 118.89 2dlv h ARG 111 Ca 0.21 0.03 -0.05 0.00 -1.26 0.00 0.00 59.98 58.92 2dlv h ARG 111 Cb 0.44 0.11 0.01 0.00 -1.65 0.00 0.00 29.97 28.89 2dlv h ARG 111 CO -0.51 -0.34 -0.47 0.28 0.56 0.00 0.00 179.97 179.49 2dlv h VAL 112 N -0.52 0.01 -0.99 2.04 2.07 -1.34 0.17 116.25 117.69 2dlv h VAL 112 Ca 0.05 -0.04 0.17 0.00 0.82 0.00 0.00 66.70 67.71 2dlv h VAL 112 Cb 0.66 0.01 -0.17 0.00 -1.52 0.00 0.00 31.29 30.27 2dlv h VAL 112 CO -0.47 0.00 -0.34 0.22 0.02 0.00 0.00 177.57 177.00 2dlv h TYR 113 N -1.34 -0.89 0.39 1.57 3.20 -0.16 0.10 116.97 119.84 2dlv h TYR 113 Ca -0.13 0.10 -0.02 0.00 3.14 0.00 0.00 58.73 61.82 2dlv h TYR 113 Cb 1.00 0.54 0.00 0.00 1.54 0.00 0.00 36.73 39.82 2dlv h TYR 113 CO -0.00 -0.41 -0.19 1.96 -1.64 0.00 0.00 178.16 177.88 2dlv h GLN 114 N -0.00 -0.50 -0.94 1.82 1.08 -0.76 0.20 115.11 116.01 2dlv h GLN 114 Ca 0.39 0.03 0.20 0.00 -1.45 0.00 0.00 58.65 57.82 2dlv h GLN 114 Cb 0.64 0.11 -0.18 0.00 -0.05 0.00 0.00 27.48 28.01 2dlv h GLN 114 CO -1.00 -0.19 -0.20 -0.07 -0.95 0.00 0.00 178.83 176.42 2dlv h LEU 115 N -0.85 -0.82 0.22 1.46 3.38 0.87 0.32 115.31 119.89 2dlv h LEU 115 Ca -0.05 0.28 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 2dlv h LEU 115 Cb 0.54 0.56 0.00 0.00 0.09 0.00 0.00 40.66 41.86 2dlv h LEU 115 CO 0.09 -0.31 -0.11 0.24 0.09 0.00 0.00 178.44 178.44 2dlv h MET 116 N 0.00 -0.28 -1.10 1.13 2.86 -0.86 -3.22 114.93 113.46 2dlv h MET 116 Ca 0.47 0.02 0.32 0.00 -2.06 0.00 0.00 59.70 58.44 2dlv h MET 116 Cb 0.75 0.06 -0.04 0.00 0.06 0.00 0.00 31.60 32.43 2dlv h MET 116 CO -0.95 -0.04 1.05 1.49 1.06 0.00 0.00 176.91 179.52 2dlv h GLU 117 N -1.02 0.00 0.01 1.72 4.81 0.20 0.14 114.58 120.44 2dlv h GLU 117 Ca -0.03 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2dlv h GLU 117 Cb 0.37 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.75 2dlv h GLU 117 CO 0.05 0.00 -0.01 1.96 -0.73 0.00 0.00 179.01 180.28 2dlv h GLN 118 N 0.00 -0.02 0.00 1.92 1.08 -0.40 -3.39 115.11 114.30 2dlv h GLN 118 Ca 0.52 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.73 2dlv h GLN 118 Cb 2.62 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 30.05 2dlv h GLN 118 CO -0.01 -0.01 -0.56 -0.25 -0.95 0.00 0.00 178.83 177.05 2dlv n ASP 119 N -2.09 1.20 -0.26 1.46 8.00 -0.59 -4.12 116.55 120.15 2dlv n ASP 119 Ca -0.00 0.26 -0.06 0.00 0.71 0.00 0.00 54.79 55.70 2dlv n ASP 119 Cb 0.01 -0.67 -0.05 0.00 -0.02 0.00 0.00 41.12 40.39 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 -3.73 -0.62 0.07 -2.24 7.64 0.27 0.47 113.62 115.47 2dlv n SER 120 Ca -0.08 1.09 -0.09 0.00 1.01 0.00 0.00 58.87 60.80 2dlv n SER 120 Cb 0.29 -0.15 -0.05 0.00 -1.01 0.00 0.00 64.21 63.29 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 -0.82 0.11 1.43 3.20 -1.15 0.34 116.97 120.08 2dlv h TYR 121 Ca 0.11 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.01 2dlv h TYR 121 Cb 0.26 0.35 -0.02 0.00 1.54 0.00 0.00 36.73 38.86 2dlv h TYR 121 CO -0.62 -0.32 -0.30 1.79 -1.64 0.00 0.00 178.16 177.07 2dlv h THR 122 N -0.41 0.00 -0.71 1.81 1.35 -0.92 -2.66 112.91 111.36 2dlv h THR 122 Ca -0.01 0.00 0.12 0.00 -0.55 0.00 0.00 66.41 65.98 2dlv h THR 122 Cb 0.41 0.00 -0.13 0.00 -1.73 0.00 0.00 68.15 66.70 2dlv h THR 122 CO -0.15 0.00 -0.33 -0.09 -0.25 0.00 0.00 175.52 174.70 2dlv h ARG 123 N -0.45 -0.10 -1.00 4.72 2.43 0.05 -1.16 114.38 118.87 2dlv h ARG 123 Ca -0.01 0.01 0.10 0.00 -0.81 0.00 0.00 59.98 59.27 2dlv h ARG 123 Cb 0.44 0.02 -0.13 0.00 -0.42 0.00 0.00 29.97 29.89 2dlv h ARG 123 CO -0.14 -0.07 -0.56 0.34 -1.51 0.00 0.00 179.97 178.04 2dlv n PHE 124 N -5.45 -0.37 -0.37 2.20 7.35 0.12 0.13 117.46 121.06 2dlv n PHE 124 Ca 0.06 1.24 0.29 0.00 -0.76 0.00 0.00 57.45 58.29 2dlv n PHE 124 Cb 0.37 -0.62 0.58 0.00 0.35 0.00 0.00 39.48 40.16 2dlv n PHE 124 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 2dlv h LEU 125 N 0.00 0.35 -0.45 -2.13 3.38 -0.93 1.29 115.31 116.82 2dlv h LEU 125 Ca 0.19 0.11 -0.14 0.00 0.09 0.00 0.00 57.88 58.13 2dlv h LEU 125 Cb 0.44 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 2dlv h LEU 125 CO -0.94 -0.04 -0.65 0.11 0.09 0.00 0.00 178.44 177.00 2dlv h LYS 126 N 0.25 0.00 -6.57 1.13 1.57 0.12 -3.38 116.57 109.68 2dlv h LYS 126 Ca 0.70 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.95 2dlv h LYS 126 Cb 1.99 0.00 0.04 0.00 0.08 0.00 0.00 32.23 34.35 2dlv h LYS 126 CO -0.35 0.65 1.00 -1.54 -0.57 0.00 0.00 179.45 178.64 2dlv s SER 127 N -6.64 6.49 0.39 0.86 1.04 0.44 -4.86 113.70 111.41 2dlv s SER 127 Ca 0.01 2.71 0.20 0.00 0.48 0.00 0.00 55.95 59.34 2dlv s SER 127 Cb 0.11 -2.58 1.17 0.00 0.10 0.00 0.00 66.02 64.81 2dlv s SER 127 CO 0.76 -0.92 1.69 -2.24 0.98 0.00 0.00 173.24 173.51 2dlv h ASP 128 N 7.50 0.43 -0.70 7.02 2.03 -1.87 0.38 116.42 131.22 2dlv h ASP 128 Ca -0.44 0.13 0.14 0.00 -0.73 0.00 0.00 57.03 56.14 2dlv h ASP 128 Cb 1.21 0.08 -0.13 0.00 -0.83 0.00 0.00 39.33 39.66 2dlv h ASP 128 CO 0.94 -0.05 -0.21 0.40 -1.03 0.00 0.00 179.24 179.28 2dlv h ILE 129 N 0.30 0.26 0.09 4.15 2.04 -1.89 0.42 117.51 122.88 2dlv h ILE 129 Ca 0.70 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.56 2dlv h ILE 129 Cb 1.82 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 38.16 2dlv h ILE 129 CO -0.44 0.00 -0.04 0.22 0.00 0.00 0.00 178.15 177.89 2dlv h TYR 130 N -0.03 -0.11 -0.90 1.37 5.03 -1.13 -3.05 116.97 118.15 2dlv h TYR 130 Ca 0.32 -0.00 0.22 0.00 2.58 0.00 0.00 58.73 61.85 2dlv h TYR 130 Cb 0.53 0.04 -0.06 0.00 1.55 0.00 0.00 36.73 38.79 2dlv h TYR 130 CO -0.59 0.29 0.61 -0.07 -1.32 0.00 0.00 178.16 177.08 2dlv h LEU 131 N -0.55 0.30 0.84 2.82 3.38 -1.09 -1.94 115.31 119.07 2dlv h LEU 131 Ca -0.01 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 2dlv h LEU 131 Cb 0.45 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.19 2dlv h LEU 131 CO 0.02 0.11 -0.40 -0.78 0.09 0.00 0.00 178.44 177.48 2dlv h ASP 132 N 0.29 -0.96 -0.90 -0.43 3.58 -0.09 0.63 116.42 118.55 2dlv h ASP 132 Ca 0.46 0.03 0.16 0.00 0.42 0.00 0.00 57.03 58.09 2dlv h ASP 132 Cb 1.32 0.25 -0.16 0.00 1.72 0.00 0.00 39.33 42.46 2dlv h ASP 132 CO -0.14 -0.65 -0.29 0.18 -2.88 0.00 0.00 179.24 175.46 2dlv n LEU 133 N -5.56 -0.46 0.08 2.28 4.32 -0.74 0.93 117.00 117.86 2dlv n LEU 133 Ca -0.15 1.56 -0.11 0.00 -0.02 0.00 0.00 56.01 57.28 2dlv n LEU 133 Cb 0.45 -0.41 -0.05 0.00 -1.62 0.00 0.00 43.42 41.79 2dlv n LEU 133 CO 0.38 -1.44 0.17 0.00 -1.22 0.00 0.00 177.39 175.28 2dlv h MET 134 N 0.00 0.27 -0.69 3.23 -0.00 -1.51 -3.11 114.93 113.13 2dlv h MET 134 Ca 0.37 -0.32 0.00 0.00 -0.00 0.00 0.00 59.70 59.75 2dlv h MET 134 Cb 0.59 0.10 0.00 0.00 -0.00 0.00 0.00 31.60 32.29 2dlv h MET 134 CO -0.91 1.05 0.00 0.45 -0.00 0.00 0.00 176.91 177.50 2dlv n SER 135 N -3.65 1.17 -2.57 -0.10 2.88 0.27 -4.64 113.62 106.98 2dlv n SER 135 Ca -0.05 -2.07 -0.05 0.00 -1.33 0.00 0.00 58.87 55.37 2dlv n SER 135 Cb 0.86 -0.38 0.04 0.00 -0.75 0.00 0.00 64.21 63.98 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 -2.12 3.59 0.46 0.00 0.17 -4.92 105.19 102.62 2dlv n GLY 136 Ca 0.03 -1.52 -0.43 0.00 0.00 0.00 0.00 46.02 44.10 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 -3.42 3.33 -0.36 1.61 0.04 -1.26 -4.96 135.00 129.97 2dlv s PRO 137 Ca 0.12 1.25 -0.29 0.00 0.04 0.00 0.00 61.00 62.12 2dlv s PRO 137 Cb -0.01 -4.18 0.02 0.00 0.04 0.00 0.00 34.50 30.37 2dlv s PRO 137 CO 0.09 -1.87 1.07 -1.54 0.04 0.00 0.00 177.00 174.79 2dlv s SER 138 N 5.78 6.83 -0.19 6.66 1.04 -1.26 -4.96 113.70 127.59 2dlv s SER 138 Ca 0.74 0.85 -0.32 0.00 0.48 0.00 0.00 55.95 57.70 2dlv s SER 138 Cb -0.20 -2.53 -0.09 0.00 0.10 0.00 0.00 66.02 63.30 2dlv s SER 138 CO 0.32 -0.96 2.08 -0.24 0.98 0.00 0.00 173.24 175.42 2dlv n SER 139 N 7.08 3.08 0.00 7.02 2.88 -1.26 -5.25 113.62 127.18 2dlv n SER 139 Ca 0.11 0.58 0.00 0.00 -1.33 0.00 0.00 58.87 58.23 2dlv n SER 139 Cb 0.48 -1.41 0.00 0.00 -0.75 0.00 0.00 64.21 62.53 2dlv n SER 139 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42