#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 3.75 -0.29 1.61 0.15 -1.26 -5.12 113.70 112.54 2dlv s SER 2 Ca 0.00 -1.20 -0.09 0.00 0.70 0.00 0.00 55.95 55.36 2dlv s SER 2 Cb 0.00 -0.36 -0.02 0.00 -1.71 0.00 0.00 66.02 63.94 2dlv s SER 2 CO 0.00 -0.21 0.13 -0.55 1.20 0.00 0.00 173.24 173.81 2dlv s SER 3 N -3.62 5.47 0.02 5.45 0.15 -1.26 -4.74 113.70 115.17 2dlv s SER 3 Ca 0.33 -0.38 0.00 0.00 0.70 0.00 0.00 55.95 56.60 2dlv s SER 3 Cb 0.03 -1.99 0.00 0.00 -1.71 0.00 0.00 66.02 62.35 2dlv s SER 3 CO 0.17 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.08 2dlv n GLY 4 N 4.97 -0.38 0.42 9.45 0.00 -1.26 -4.97 105.19 113.41 2dlv n GLY 4 Ca -0.15 0.10 -0.15 0.00 0.00 0.00 0.00 46.02 45.82 2dlv n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2dlv h SER 5 N 0.00 -1.20 -2.54 1.61 4.64 -1.89 -3.41 113.55 110.76 2dlv h SER 5 Ca 0.00 0.10 -0.53 0.00 -0.47 0.00 0.00 61.79 60.90 2dlv h SER 5 Cb 0.00 0.40 0.04 0.00 -0.31 0.00 0.00 62.40 62.53 2dlv h SER 5 CO 0.00 -0.55 1.11 -0.55 -0.87 0.00 0.00 176.83 175.97 2dlv s SER 6 N -4.05 6.42 0.00 4.97 0.15 -1.26 -4.64 113.70 115.29 2dlv s SER 6 Ca -0.15 2.76 0.00 0.00 0.70 0.00 0.00 55.95 59.26 2dlv s SER 6 Cb 0.04 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 2dlv s SER 6 CO 0.50 -1.00 0.00 0.61 1.20 0.00 0.00 173.24 174.55 2dlv n GLY 7 N 4.23 5.17 3.23 9.45 0.00 -1.25 -4.99 105.19 121.03 2dlv n GLY 7 Ca 0.18 -1.41 -0.23 0.00 0.00 0.00 0.00 46.02 44.56 2dlv n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dlv s SER 8 N 1.01 2.24 0.53 1.61 0.01 -1.26 -4.96 113.70 112.87 2dlv s SER 8 Ca 0.00 -0.58 0.31 0.00 1.31 0.00 0.00 55.95 56.99 2dlv s SER 8 Cb 0.00 -0.14 1.31 0.00 0.21 0.00 0.00 66.02 67.40 2dlv s SER 8 CO 0.00 0.07 1.97 1.55 0.41 0.00 0.00 173.24 177.24 2dlv h PRO 9 N 4.52 0.00 0.05 12.44 0.13 -1.92 -2.67 132.00 144.54 2dlv h PRO 9 Ca -0.43 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.47 2dlv h PRO 9 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 2dlv h PRO 9 CO 0.42 0.06 -1.04 0.93 -0.23 0.00 0.00 178.00 178.14 2dlv h GLU 10 N 0.00 0.22 0.00 0.86 5.08 -1.99 -2.45 114.58 116.29 2dlv h GLU 10 Ca -0.00 -0.30 -0.19 0.00 -1.00 0.00 0.00 59.36 57.87 2dlv h GLU 10 Cb 0.54 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.86 2dlv h GLU 10 CO 0.01 1.08 -0.90 0.93 -1.00 0.00 0.00 179.01 179.12 2dlv h GLU 11 N 0.09 0.01 -0.00 2.33 5.08 -1.94 -3.10 114.58 117.05 2dlv h GLU 11 Ca -0.08 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 2dlv h GLU 11 Cb 1.73 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.98 2dlv h GLU 11 CO 0.16 0.90 -0.04 0.00 -1.00 0.00 0.00 179.01 179.04 2dlv h ALA 12 N 1.09 0.01 -0.62 3.43 0.00 -1.53 -1.31 119.26 120.33 2dlv h ALA 12 Ca -0.01 -0.39 0.10 0.00 0.00 0.00 0.00 54.91 54.62 2dlv h ALA 12 Cb 1.59 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.34 2dlv h ALA 12 CO 0.12 -0.09 0.41 -0.24 0.00 0.00 0.00 179.25 179.45 2dlv h VAL 13 N -0.70 0.88 0.15 0.00 3.04 -1.54 -2.12 116.25 115.96 2dlv h VAL 13 Ca -0.00 -0.14 -0.21 0.00 -1.01 0.00 0.00 66.70 65.34 2dlv h VAL 13 Cb 0.78 0.44 0.02 0.00 -2.01 0.00 0.00 31.29 30.53 2dlv h VAL 13 CO 0.01 0.07 -0.90 0.11 -1.01 0.00 0.00 177.57 175.85 2dlv h LYS 14 N 0.41 0.35 -0.94 4.17 1.57 -1.58 -3.32 116.57 117.24 2dlv h LYS 14 Ca 0.29 -0.58 0.24 0.00 -1.87 0.00 0.00 60.65 58.74 2dlv h LYS 14 Cb 0.58 0.21 -0.13 0.00 0.08 0.00 0.00 32.23 32.97 2dlv h LYS 14 CO -0.08 1.27 0.46 -1.49 -0.57 0.00 0.00 179.45 179.03 2dlv h TRP 15 N -0.26 0.76 -0.98 -1.35 6.55 -0.56 0.39 115.95 120.49 2dlv h TRP 15 Ca -0.15 0.04 0.28 0.00 0.95 0.00 0.00 58.89 60.01 2dlv h TRP 15 Cb 1.70 -0.19 -0.04 0.00 -0.86 0.00 0.00 29.16 29.78 2dlv h TRP 15 CO 0.18 -0.06 0.74 0.78 -1.05 0.00 0.00 178.44 179.03 2dlv h GLY 16 N 0.41 0.00 -0.27 1.49 0.00 -1.57 -2.53 103.07 100.60 2dlv h GLY 16 Ca 0.61 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.97 2dlv h GLY 16 CO -0.54 0.00 -0.29 0.83 0.00 0.00 0.00 176.54 176.54 2dlv h GLU 17 N 0.00 -0.16 -4.32 4.80 4.39 -0.41 -3.45 114.58 115.43 2dlv h GLU 17 Ca 0.46 0.01 -0.24 0.00 0.34 0.00 0.00 59.36 59.94 2dlv h GLU 17 Cb 1.94 0.04 -0.12 0.00 -0.10 0.00 0.00 28.75 30.50 2dlv h GLU 17 CO -0.00 -0.11 -0.40 -1.54 -1.16 0.00 0.00 179.01 175.80 2dlv s SER 18 N -3.99 0.47 0.13 1.42 1.04 -0.95 -5.06 113.70 106.76 2dlv s SER 18 Ca -0.07 -1.35 -0.06 0.00 0.48 0.00 0.00 55.95 54.94 2dlv s SER 18 Cb 0.05 0.51 -0.08 0.00 0.10 0.00 0.00 66.02 66.59 2dlv s SER 18 CO 0.32 -1.03 1.32 0.15 0.98 0.00 0.00 173.24 174.97 2dlv h PHE 19 N 2.36 0.72 -0.19 5.02 3.57 -1.88 -3.21 116.94 123.34 2dlv h PHE 19 Ca -0.30 -0.36 0.03 0.00 3.53 0.00 0.00 57.97 60.86 2dlv h PHE 19 Cb 1.25 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.87 2dlv h PHE 19 CO 0.78 1.17 0.02 0.22 -2.23 0.00 0.00 178.31 178.28 2dlv h ASP 20 N 0.31 -0.02 -0.85 0.41 1.82 -1.97 -1.88 116.42 114.24 2dlv h ASP 20 Ca -0.07 0.03 0.09 0.00 -0.39 0.00 0.00 57.03 56.70 2dlv h ASP 20 Cb 1.50 0.05 -0.07 0.00 0.68 0.00 0.00 39.33 41.49 2dlv h ASP 20 CO 0.16 0.02 0.50 0.11 -1.61 0.00 0.00 179.24 178.41 2dlv h LYS 21 N 0.09 0.82 0.60 0.28 1.57 -1.87 0.14 116.57 118.20 2dlv h LYS 21 Ca 0.09 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 2dlv h LYS 21 Cb 0.09 -0.18 0.01 0.00 0.08 0.00 0.00 32.23 32.22 2dlv h LYS 21 CO -0.13 0.54 -0.29 1.25 -0.57 0.00 0.00 179.45 180.25 2dlv h LEU 22 N 0.84 -0.70 0.27 2.94 5.85 -1.42 -2.86 115.31 120.23 2dlv h LEU 22 Ca 0.41 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 59.14 2dlv h LEU 22 Cb 0.35 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 2dlv h LEU 22 CO -0.24 -0.49 -0.19 -0.07 -0.34 0.00 0.00 178.44 177.11 2dlv h LEU 23 N -0.81 -0.48 -0.98 2.25 3.38 -0.99 -2.48 115.31 115.20 2dlv h LEU 23 Ca -0.08 0.03 0.39 0.00 0.09 0.00 0.00 57.88 58.31 2dlv h LEU 23 Cb 0.63 0.15 -0.18 0.00 0.09 0.00 0.00 40.66 41.35 2dlv h LEU 23 CO 0.13 -0.30 0.46 -1.54 0.09 0.00 0.00 178.44 177.28 2dlv n SER 24 N -5.31 0.28 -4.82 -0.43 3.41 0.45 -4.31 113.62 102.88 2dlv n SER 24 Ca -0.09 1.63 -0.34 0.00 -0.26 0.00 0.00 58.87 59.81 2dlv n SER 24 Cb 0.23 -0.77 -0.07 0.00 -0.26 0.00 0.00 64.21 63.34 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 -5.56 3.44 -0.09 7.33 5.65 -0.94 -5.02 115.29 120.11 2dlv s HIS 25 Ca -0.09 1.48 -0.06 0.00 0.25 0.00 0.00 55.06 56.63 2dlv s HIS 25 Cb 0.33 -2.73 -0.04 0.00 -1.18 0.00 0.00 32.58 28.95 2dlv s HIS 25 CO 0.76 0.07 0.24 -0.09 -0.65 0.00 0.00 174.74 175.07 2dlv h ARG 26 N 2.44 -0.13 -0.66 2.88 9.65 -1.82 -2.81 114.38 123.92 2dlv h ARG 26 Ca -0.48 0.01 0.11 0.00 -1.10 0.00 0.00 59.98 58.52 2dlv h ARG 26 Cb 1.18 0.03 -0.12 0.00 -1.39 0.00 0.00 29.97 29.67 2dlv h ARG 26 CO 0.64 -0.01 -0.34 -0.44 2.80 0.00 0.00 179.97 182.62 2dlv h ASP 27 N -1.03 -1.20 0.00 -3.80 3.32 -1.91 -0.90 116.42 110.90 2dlv h ASP 27 Ca -0.01 0.24 0.01 0.00 0.02 0.00 0.00 57.03 57.29 2dlv h ASP 27 Cb 0.19 0.61 -0.01 0.00 0.22 0.00 0.00 39.33 40.33 2dlv h ASP 27 CO 0.02 -0.30 -0.05 1.23 -1.72 0.00 0.00 179.24 178.42 2dlv h GLY 28 N -0.13 -0.06 -0.23 2.75 0.00 -1.79 -2.82 103.07 100.79 2dlv h GLY 28 Ca 0.25 0.06 0.12 0.00 0.00 0.00 0.00 47.33 47.77 2dlv h GLY 28 CO -0.74 -0.06 -0.16 -2.00 0.00 0.00 0.00 176.54 173.58 2dlv h LEU 29 N -0.10 -0.59 0.12 3.11 5.85 -0.93 -0.85 115.31 121.93 2dlv h LEU 29 Ca 0.02 0.18 0.02 0.00 0.84 0.00 0.00 57.88 58.94 2dlv h LEU 29 Cb 0.12 0.39 -0.05 0.00 0.37 0.00 0.00 40.66 41.49 2dlv h LEU 29 CO -0.05 -0.21 -0.48 -0.33 -0.34 0.00 0.00 178.44 177.03 2dlv h GLU 30 N -0.01 -0.69 -0.48 1.25 4.39 -1.00 -0.14 114.58 117.90 2dlv h GLU 30 Ca 0.29 0.05 0.10 0.00 0.34 0.00 0.00 59.36 60.14 2dlv h GLU 30 Cb 0.45 0.16 -0.09 0.00 -0.10 0.00 0.00 28.75 29.16 2dlv h GLU 30 CO -0.63 -0.46 -0.14 0.00 -1.16 0.00 0.00 179.01 176.62 2dlv h ALA 31 N -0.37 0.28 0.09 3.43 0.00 -1.12 -2.05 119.26 119.52 2dlv h ALA 31 Ca 0.01 0.18 0.02 0.00 0.00 0.00 0.00 54.91 55.13 2dlv h ALA 31 Cb 0.73 0.41 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 2dlv h ALA 31 CO -0.27 -0.47 -0.32 0.35 0.00 0.00 0.00 179.25 178.55 2dlv h PHE 32 N -0.03 -0.86 -0.82 0.00 3.57 -0.67 -2.28 116.94 115.85 2dlv h PHE 32 Ca 0.23 0.02 0.19 0.00 3.53 0.00 0.00 57.97 61.94 2dlv h PHE 32 Cb 0.38 0.37 -0.15 0.00 2.79 0.00 0.00 35.95 39.34 2dlv h PHE 32 CO -0.43 -0.42 -0.05 1.15 -2.23 0.00 0.00 178.31 176.33 2dlv h THR 33 N -0.52 0.23 -0.35 4.41 2.02 -0.35 0.97 112.91 119.34 2dlv h THR 33 Ca 0.04 -0.02 0.07 0.00 0.77 0.00 0.00 66.41 67.27 2dlv h THR 33 Cb 0.56 0.17 -0.07 0.00 -1.74 0.00 0.00 68.15 67.07 2dlv h THR 33 CO -0.21 0.01 -0.14 0.03 0.37 0.00 0.00 175.52 175.58 2dlv h ARG 34 N 0.06 -0.07 -0.98 6.66 3.08 -0.93 -0.36 114.38 121.83 2dlv h ARG 34 Ca 0.44 0.01 0.27 0.00 0.07 0.00 0.00 59.98 60.77 2dlv h ARG 34 Cb 0.79 0.02 -0.13 0.00 0.08 0.00 0.00 29.97 30.72 2dlv h ARG 34 CO -0.77 -0.05 0.54 0.35 -1.07 0.00 0.00 179.97 178.97 2dlv h PHE 35 N -0.08 0.90 -0.11 3.04 3.57 -0.59 0.58 116.94 124.25 2dlv h PHE 35 Ca 0.17 0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.63 2dlv h PHE 35 Cb 0.34 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.84 2dlv h PHE 35 CO -0.36 -0.06 -0.26 -0.07 -2.23 0.00 0.00 178.31 175.33 2dlv h LEU 36 N 0.44 0.42 -0.81 0.59 3.38 -0.94 -3.25 115.31 115.14 2dlv h LEU 36 Ca 0.66 -0.58 0.19 0.00 0.09 0.00 0.00 57.88 58.24 2dlv h LEU 36 Cb 1.37 -0.12 -0.14 0.00 0.09 0.00 0.00 40.66 41.85 2dlv h LEU 36 CO -0.54 0.92 -0.02 0.11 0.09 0.00 0.00 178.44 179.00 2dlv h LYS 37 N -0.07 0.07 -0.74 1.13 1.57 0.33 0.75 116.57 119.60 2dlv h LYS 37 Ca -0.00 -0.00 0.14 0.00 -1.87 0.00 0.00 60.65 58.91 2dlv h LYS 37 Cb 0.86 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 33.11 2dlv h LYS 37 CO 0.06 0.05 0.50 1.79 -0.57 0.00 0.00 179.45 181.27 2dlv h THR 38 N 0.07 0.82 -0.67 -0.16 1.35 -1.47 0.30 112.91 113.15 2dlv h THR 38 Ca 0.44 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 66.15 2dlv h THR 38 Cb 0.79 0.33 0.00 0.00 -1.73 0.00 0.00 68.15 67.54 2dlv h THR 38 CO -0.74 0.08 0.00 -0.62 -0.25 0.00 0.00 175.52 173.99 2dlv n GLU 39 N -4.48 2.87 -3.24 4.72 -0.58 0.24 -4.93 120.64 115.23 2dlv n GLU 39 Ca 0.14 -2.55 -0.23 0.00 -0.42 0.00 0.00 57.16 54.10 2dlv n GLU 39 Cb 0.49 -1.63 0.01 0.00 -0.57 0.00 0.00 31.44 29.74 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 1.41 -1.83 0.28 -0.32 3.72 0.11 -4.81 117.46 116.01 2dlv n PHE 40 Ca 0.24 0.47 0.03 0.00 -0.05 0.00 0.00 57.45 58.13 2dlv n PHE 40 Cb 0.66 -3.35 -0.00 0.00 -0.94 0.00 0.00 39.48 35.84 2dlv n PHE 40 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2dlv n SER 41 N -2.33 0.94 -0.33 4.37 7.64 -0.65 -4.68 113.62 118.57 2dlv n SER 41 Ca -0.05 -0.97 0.23 0.00 1.01 0.00 0.00 58.87 59.10 2dlv n SER 41 Cb 0.56 0.48 0.44 0.00 -1.01 0.00 0.00 64.21 64.68 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 0.67 0.03 -1.14 1.43 -0.00 -1.84 0.30 114.58 114.03 2dlv h GLU 42 Ca 0.00 -0.00 0.37 0.00 -0.00 0.00 0.00 59.36 59.73 2dlv h GLU 42 Cb 0.21 -0.01 -0.09 0.00 -0.00 0.00 0.00 28.75 28.87 2dlv h GLU 42 CO 0.00 0.02 0.77 -0.85 -0.00 0.00 0.00 179.01 178.94 2dlv n GLU 43 N -5.36 -0.02 0.33 1.06 0.00 -1.26 0.94 120.64 116.34 2dlv n GLU 43 Ca 0.30 0.86 -0.18 0.00 0.00 0.00 0.00 57.16 58.14 2dlv n GLU 43 Cb 1.01 -1.78 -0.09 0.00 0.00 0.00 0.00 31.44 30.58 2dlv n GLU 43 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.13 176.22 2dlv h ASN 44 N 0.00 -1.01 0.38 -1.84 4.21 -0.71 -2.41 115.58 114.20 2dlv h ASN 44 Ca 0.65 0.06 -0.05 0.00 1.21 0.00 0.00 56.30 58.17 2dlv h ASN 44 Cb 2.27 0.30 -0.01 0.00 -1.12 0.00 0.00 38.32 39.76 2dlv h ASN 44 CO -0.22 -0.60 -0.22 -0.29 -1.29 0.00 0.00 177.43 174.81 2dlv h ILE 45 N -0.94 0.90 -0.78 2.81 6.09 0.38 -2.79 117.51 123.17 2dlv h ILE 45 Ca -0.07 -0.84 0.05 0.00 -1.37 0.00 0.00 64.86 62.63 2dlv h ILE 45 Cb 0.77 1.49 -0.05 0.00 0.47 0.00 0.00 36.82 39.50 2dlv h ILE 45 CO 0.05 0.22 0.47 -0.33 -3.07 0.00 0.00 178.15 175.49 2dlv h GLU 46 N 0.00 0.86 -0.31 2.19 5.08 -0.85 -1.78 114.58 119.77 2dlv h GLU 46 Ca -0.00 -0.05 -0.17 0.00 -1.00 0.00 0.00 59.36 58.14 2dlv h GLU 46 Cb 0.47 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 2dlv h GLU 46 CO 0.03 0.57 -0.46 0.35 -1.00 0.00 0.00 179.01 178.50 2dlv h PHE 47 N 0.89 1.06 -0.82 4.33 3.57 -1.20 -2.49 116.94 122.28 2dlv h PHE 47 Ca 0.33 -0.36 0.08 0.00 3.53 0.00 0.00 57.97 61.56 2dlv h PHE 47 Cb 0.13 -0.21 -0.07 0.00 2.79 0.00 0.00 35.95 38.59 2dlv h PHE 47 CO -0.04 1.17 0.48 2.35 -2.23 0.00 0.00 178.31 180.04 2dlv h TRP 48 N 0.64 0.88 -0.10 0.41 7.01 -1.33 -1.64 115.95 121.82 2dlv h TRP 48 Ca 0.03 0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.02 2dlv h TRP 48 Cb 1.06 -0.27 -0.00 0.00 -2.10 0.00 0.00 29.16 27.85 2dlv h TRP 48 CO 0.07 0.40 -0.08 0.82 -2.79 0.00 0.00 178.44 176.86 2dlv h ILE 49 N 0.84 1.35 -0.90 2.65 2.04 -1.31 -3.15 117.51 119.03 2dlv h ILE 49 Ca 0.38 -1.19 0.17 0.00 1.00 0.00 0.00 64.86 65.22 2dlv h ILE 49 Cb 0.28 1.93 -0.10 0.00 -0.74 0.00 0.00 36.82 38.18 2dlv h ILE 49 CO -0.21 0.34 0.47 0.00 0.00 0.00 0.00 178.15 178.74 2dlv h ALA 50 N 0.60 1.40 0.13 1.87 0.00 -1.01 -1.66 119.26 120.58 2dlv h ALA 50 Ca 0.02 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.04 2dlv h ALA 50 Cb 0.57 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 2dlv h ALA 50 CO 0.02 -0.13 -0.21 0.00 0.00 0.00 0.00 179.25 178.93 2dlv h GLU 52 N -0.41 0.67 0.00 0.00 4.39 -1.29 0.28 114.58 118.23 2dlv h GLU 52 Ca 0.02 -0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.63 2dlv h GLU 52 Cb 0.42 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 2dlv h GLU 52 CO -0.11 0.44 -0.38 0.22 -1.16 0.00 0.00 179.01 178.03 2dlv h ASP 53 N 0.69 0.00 -0.31 1.42 1.82 -0.94 -3.30 116.42 115.80 2dlv h ASP 53 Ca 0.54 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 57.16 2dlv h ASP 53 Cb 0.92 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.92 2dlv h ASP 53 CO -0.30 0.24 0.13 0.15 -1.61 0.00 0.00 179.24 177.85 2dlv h PHE 54 N 0.00 0.45 -0.42 0.28 3.57 0.38 -3.01 116.94 118.19 2dlv h PHE 54 Ca -0.01 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 2dlv h PHE 54 Cb 1.19 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.78 2dlv h PHE 54 CO 0.00 0.42 0.22 0.87 -2.23 0.00 0.00 178.31 177.60 2dlv h LYS 55 N 0.35 0.58 -1.04 1.11 6.56 -1.55 -2.74 116.57 119.85 2dlv h LYS 55 Ca 0.10 -0.07 0.34 0.00 -1.06 0.00 0.00 60.65 59.96 2dlv h LYS 55 Cb 0.15 -0.11 -0.08 0.00 -0.57 0.00 0.00 32.23 31.62 2dlv h LYS 55 CO -0.01 0.48 0.70 1.63 -2.06 0.00 0.00 179.45 180.19 2dlv n LYS 56 N -4.71 -0.02 -1.58 3.15 5.02 -1.14 -4.42 118.16 114.46 2dlv n LYS 56 Ca 0.00 0.80 -0.40 0.00 -2.02 0.00 0.00 58.31 56.69 2dlv n LYS 56 Cb 0.09 -1.65 0.02 0.00 -0.02 0.00 0.00 35.03 33.47 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 -3.79 0.71 -0.04 4.39 2.88 -1.04 -4.94 113.62 111.80 2dlv n SER 57 Ca 0.28 0.95 -0.05 0.00 -1.33 0.00 0.00 58.87 58.72 2dlv n SER 57 Cb 1.14 -1.32 -0.04 0.00 -0.75 0.00 0.00 64.21 63.24 2dlv n SER 57 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 2dlv n LYS 58 N -0.03 0.82 -2.69 -1.46 2.85 -1.26 -5.03 118.16 111.36 2dlv n LYS 58 Ca 0.11 0.04 -0.21 0.00 -1.05 0.00 0.00 58.31 57.19 2dlv n LYS 58 Cb 0.41 -1.16 0.03 0.00 -0.65 0.00 0.00 35.03 33.67 2dlv n LYS 58 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 2dlv s GLY 59 N -4.56 1.82 -0.02 2.58 0.00 -1.26 -5.04 107.32 100.84 2dlv s GLY 59 Ca -0.09 -1.34 -0.25 0.00 0.00 0.00 0.00 44.72 43.05 2dlv s GLY 59 CO 0.20 -1.07 1.17 -0.56 0.00 0.00 0.00 173.10 172.84 2dlv h PRO 60 N 0.13 -0.14 -0.09 2.90 0.13 -2.00 -3.25 132.00 129.67 2dlv h PRO 60 Ca -0.42 0.01 0.01 0.00 -0.87 0.00 0.00 66.00 64.73 2dlv h PRO 60 Cb 1.29 0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.44 2dlv h PRO 60 CO 0.52 0.29 -0.09 0.37 -0.23 0.00 0.00 178.00 178.86 2dlv h GLN 61 N -0.64 -0.04 -0.91 0.86 5.75 -1.99 0.31 115.11 118.45 2dlv h GLN 61 Ca -0.02 0.00 0.27 0.00 -0.15 0.00 0.00 58.65 58.75 2dlv h GLN 61 Cb 0.50 0.01 -0.17 0.00 1.07 0.00 0.00 27.48 28.89 2dlv h GLN 61 CO 0.03 -0.03 0.08 0.94 -2.65 0.00 0.00 178.83 177.20 2dlv n GLN 62 N -3.20 -0.07 0.10 1.69 -0.06 -1.26 0.65 117.38 115.23 2dlv n GLN 62 Ca -0.00 1.35 -0.13 0.00 -2.00 0.00 0.00 57.00 56.21 2dlv n GLN 62 Cb 0.05 -2.17 -0.07 0.00 -4.06 0.00 0.00 30.24 23.99 2dlv n GLN 62 CO 0.00 0.00 0.00 0.82 -0.20 0.00 0.00 177.06 177.68 2dlv h ILE 63 N 0.00 0.80 -0.06 1.69 2.04 -1.03 -0.29 117.51 120.67 2dlv h ILE 63 Ca 0.58 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.48 2dlv h ILE 63 Cb 1.25 0.80 -0.05 0.00 -0.74 0.00 0.00 36.82 38.09 2dlv h ILE 63 CO -0.83 0.00 -0.25 0.45 0.00 0.00 0.00 178.15 177.51 2dlv h HIS 64 N -0.22 -0.68 0.11 1.37 3.86 0.16 0.23 115.15 119.98 2dlv h HIS 64 Ca -0.01 0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.25 2dlv h HIS 64 Cb 0.19 0.31 -0.03 0.00 1.06 0.00 0.00 27.41 28.94 2dlv h HIS 64 CO -0.10 -0.34 -0.23 -0.07 0.86 0.00 0.00 177.93 178.05 2dlv h LEU 65 N -0.36 -0.65 -0.36 2.43 4.07 -1.13 -0.07 115.31 119.24 2dlv h LEU 65 Ca 0.08 0.08 0.06 0.00 0.08 0.00 0.00 57.88 58.18 2dlv h LEU 65 Cb 0.47 0.25 -0.06 0.00 1.08 0.00 0.00 40.66 42.40 2dlv h LEU 65 CO -0.26 -0.32 0.00 0.11 -1.08 0.00 0.00 178.44 176.89 2dlv h LYS 66 N -0.42 0.10 -0.94 1.13 1.57 -0.74 0.86 116.57 118.12 2dlv h LYS 66 Ca 0.03 -0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.86 2dlv h LYS 66 Cb 0.45 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.68 2dlv h LYS 66 CO -0.14 0.06 0.60 0.00 -0.57 0.00 0.00 179.45 179.41 2dlv h ALA 67 N 1.31 1.29 0.38 3.86 0.00 -0.19 -1.19 119.26 124.71 2dlv h ALA 67 Ca 0.17 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2dlv h ALA 67 Cb 0.24 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2dlv h ALA 67 CO -0.29 0.39 -0.18 -0.22 0.00 0.00 0.00 179.25 178.95 2dlv h LYS 68 N 1.10 -0.49 0.04 0.00 3.64 -0.00 -0.45 116.57 120.42 2dlv h LYS 68 Ca 0.40 0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.83 2dlv h LYS 68 Cb 0.14 0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 32.02 2dlv h LYS 68 CO -0.16 -0.18 -0.49 0.00 -2.27 0.00 0.00 179.45 176.35 2dlv h ALA 69 N -0.38 -0.93 -0.87 5.00 0.00 -0.67 -0.77 119.26 120.63 2dlv h ALA 69 Ca -0.05 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 54.86 2dlv h ALA 69 Cb 0.54 0.89 -0.06 0.00 0.00 0.00 0.00 17.79 19.16 2dlv h ALA 69 CO 0.08 -1.07 0.57 0.82 0.00 0.00 0.00 179.25 179.65 2dlv h ILE 70 N -0.64 0.99 0.52 0.00 2.04 -1.31 -2.27 117.51 116.83 2dlv h ILE 70 Ca 0.00 -0.30 -0.02 0.00 1.00 0.00 0.00 64.86 65.54 2dlv h ILE 70 Cb 0.67 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 2dlv h ILE 70 CO -0.30 0.16 -0.43 0.22 0.00 0.00 0.00 178.15 177.80 2dlv h TYR 71 N 0.89 -1.19 0.00 1.37 5.03 -0.01 0.54 116.97 123.60 2dlv h TYR 71 Ca 0.40 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.71 2dlv h TYR 71 Cb 0.36 0.45 0.00 0.00 1.55 0.00 0.00 36.73 39.10 2dlv h TYR 71 CO -0.00 -0.60 0.00 0.39 -1.32 0.00 0.00 178.16 176.63 2dlv n GLU 72 N -5.08 0.11 -0.01 1.82 1.02 -0.40 0.33 120.64 118.43 2dlv n GLU 72 Ca -0.11 0.17 -0.01 0.00 -0.02 0.00 0.00 57.16 57.19 2dlv n GLU 72 Cb 0.41 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.33 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 -1.20 0.05 -0.08 3.49 4.81 -0.24 -4.70 118.16 120.29 2dlv n LYS 73 Ca 0.03 0.24 -0.07 0.00 -0.87 0.00 0.00 58.31 57.64 2dlv n LYS 73 Cb 0.04 -0.81 -0.02 0.00 0.02 0.00 0.00 35.03 34.25 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 -2.55 0.14 -0.07 5.64 3.01 0.02 -2.84 117.46 120.81 2dlv n PHE 74 Ca -0.01 0.06 -0.02 0.00 1.01 0.00 0.00 57.45 58.49 2dlv n PHE 74 Cb 0.03 -0.49 -0.02 0.00 -0.01 0.00 0.00 39.48 39.00 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 -4.27 -0.12 -1.66 4.37 2.08 -0.83 -3.72 119.36 115.21 2dlv n ILE 75 Ca -0.11 1.35 -0.44 0.00 0.56 0.00 0.00 62.75 64.10 2dlv n ILE 75 Cb 0.42 -1.75 -0.01 0.00 -0.75 0.00 0.00 39.64 37.55 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 -3.27 1.88 -1.69 0.38 10.64 0.15 -4.87 117.38 120.60 2dlv n GLN 76 Ca 0.00 0.66 -0.29 0.00 -1.83 0.00 0.00 57.00 55.54 2dlv n GLN 76 Cb 0.04 -2.20 0.15 0.00 -0.86 0.00 0.00 30.24 27.37 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 -0.83 1.95 -1.07 -0.39 2.01 -1.26 -3.93 115.64 112.12 2dlv s THR 77 Ca 0.60 0.00 -0.03 0.00 0.31 0.00 0.00 61.69 62.56 2dlv s THR 77 Cb -0.63 -2.86 0.02 0.00 0.01 0.00 0.00 72.50 69.05 2dlv s THR 77 CO 0.59 0.00 0.18 0.47 -0.69 0.00 0.00 174.62 175.16 2dlv n ASP 78 N -3.77 -3.73 -4.92 3.53 8.00 -1.26 -4.94 116.55 109.47 2dlv n ASP 78 Ca 0.10 0.01 -0.20 0.00 0.71 0.00 0.00 54.79 55.42 2dlv n ASP 78 Cb 0.60 -3.14 -0.02 0.00 -0.02 0.00 0.00 41.12 38.54 2dlv n ASP 78 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2dlv s ALA 79 N -2.69 4.17 0.27 2.24 0.00 -1.25 -5.01 121.76 119.47 2dlv s ALA 79 Ca 0.14 -1.77 0.18 0.00 0.00 0.00 0.00 51.96 50.51 2dlv s ALA 79 Cb -0.07 -1.24 0.79 0.00 0.00 0.00 0.00 23.12 22.59 2dlv s ALA 79 CO 0.17 -0.19 1.80 -1.00 0.00 0.00 0.00 175.76 176.54 2dlv h PRO 80 N 0.95 0.00 -0.06 0.00 0.13 -1.88 -3.05 132.00 128.10 2dlv h PRO 80 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 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 0.54 0.35 0.00 1.63 -0.23 0.00 0.00 178.00 180.29 2dlv n LYS 81 N -3.71 1.91 -1.64 0.86 4.76 -1.14 -4.91 118.16 114.29 2dlv n LYS 81 Ca -0.01 -2.43 -0.52 0.00 -2.87 0.00 0.00 58.31 52.48 2dlv n LYS 81 Cb 0.45 -1.47 -0.06 0.00 -1.84 0.00 0.00 35.03 32.11 2dlv n LYS 81 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 2dlv n GLU 82 N -1.05 1.61 -3.84 1.97 0.00 -1.13 -4.07 120.64 114.13 2dlv n GLU 82 Ca 0.14 0.56 -0.24 0.00 0.00 0.00 0.00 57.16 57.63 2dlv n GLU 82 Cb 0.61 -2.46 -0.03 0.00 0.00 0.00 0.00 31.44 29.57 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 4.77 2.13 -0.59 6.31 -7.23 -1.24 -4.97 120.40 119.58 2dlv s VAL 83 Ca 0.99 -1.49 -0.21 0.00 -1.81 0.00 0.00 61.98 59.46 2dlv s VAL 83 Cb -0.84 -2.62 0.08 0.00 0.56 0.00 0.00 36.38 33.56 2dlv s VAL 83 CO 0.55 0.00 0.79 0.20 -0.31 0.00 0.00 175.10 176.33 2dlv s ASN 84 N -4.14 6.21 0.13 4.85 0.01 -1.26 -4.93 114.94 115.80 2dlv s ASN 84 Ca 0.40 -1.05 0.09 0.00 -0.71 0.00 0.00 52.86 51.60 2dlv s ASN 84 Cb -0.01 -2.35 -0.04 0.00 0.41 0.00 0.00 41.25 39.26 2dlv s ASN 84 CO 0.24 -1.17 -0.16 -0.76 -1.51 0.00 0.00 177.10 173.73 2dlv s LEU 85 N 3.24 2.76 0.50 0.60 1.43 -1.26 -4.85 118.68 121.10 2dlv s LEU 85 Ca 0.18 -0.57 -0.23 0.00 -1.03 0.00 0.00 54.13 52.47 2dlv s LEU 85 Cb -0.19 -1.56 -0.07 0.00 0.03 0.00 0.00 46.19 44.40 2dlv s LEU 85 CO 0.10 0.16 1.31 -0.67 0.23 0.00 0.00 176.35 177.48 2dlv n ASP 86 N 0.61 2.56 -0.14 2.29 2.03 -1.26 -4.74 116.55 117.89 2dlv n ASP 86 Ca -0.14 1.02 -0.04 0.00 0.52 0.00 0.00 54.79 56.15 2dlv n ASP 86 Cb 0.53 -1.54 0.03 0.00 -0.72 0.00 0.00 41.12 39.42 2dlv n ASP 86 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 2dlv h PHE 87 N 1.66 -0.28 0.56 -0.67 3.57 -1.99 0.30 116.94 120.10 2dlv h PHE 87 Ca -0.50 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.02 2dlv h PHE 87 Cb 1.30 0.20 0.01 0.00 2.79 0.00 0.00 35.95 40.24 2dlv h PHE 87 CO 0.46 -0.21 -0.27 1.25 -2.23 0.00 0.00 178.31 177.31 2dlv h HIS 88 N -0.02 -0.70 -0.91 0.41 2.76 -1.98 -0.57 115.15 114.14 2dlv h HIS 88 Ca 0.22 -0.02 0.24 0.00 -2.20 0.00 0.00 60.37 58.62 2dlv h HIS 88 Cb 0.35 0.23 -0.13 0.00 1.55 0.00 0.00 27.41 29.41 2dlv h HIS 88 CO -0.41 -0.43 0.37 1.15 -1.30 0.00 0.00 177.93 177.31 2dlv h THR 89 N -0.79 0.39 -0.73 6.26 2.02 -1.89 0.67 112.91 118.84 2dlv h THR 89 Ca -0.08 -0.11 -0.06 0.00 0.77 0.00 0.00 66.41 66.93 2dlv h THR 89 Cb 0.58 0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 66.99 2dlv h THR 89 CO 0.13 0.06 0.22 0.50 0.37 0.00 0.00 175.52 176.80 2dlv h LYS 90 N 0.33 1.13 0.18 6.66 3.64 -0.30 -2.63 116.57 125.58 2dlv h LYS 90 Ca 0.59 -0.25 -0.01 0.00 -1.27 0.00 0.00 60.65 59.71 2dlv h LYS 90 Cb 1.18 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.84 2dlv h LYS 90 CO -0.58 0.97 -0.09 1.49 -2.27 0.00 0.00 179.45 178.97 2dlv h GLU 91 N 1.08 -0.23 -0.91 1.90 4.81 0.13 -3.00 114.58 118.36 2dlv h GLU 91 Ca 0.23 0.02 0.37 0.00 -0.13 0.00 0.00 59.36 59.85 2dlv h GLU 91 Cb 0.31 0.05 -0.16 0.00 0.63 0.00 0.00 28.75 29.58 2dlv h GLU 91 CO -0.01 -0.16 0.46 1.55 -0.73 0.00 0.00 179.01 180.13 2dlv n VAL 92 N -4.19 -0.38 -0.07 0.32 3.14 0.19 0.25 118.33 117.58 2dlv n VAL 92 Ca -0.03 1.86 -0.10 0.00 -2.96 0.00 0.00 64.34 63.12 2dlv n VAL 92 Cb 0.10 -3.01 0.05 0.00 -1.06 0.00 0.00 33.84 29.92 2dlv n VAL 92 CO 0.00 0.00 0.00 0.40 -6.46 0.00 0.00 176.83 170.77 2dlv h ILE 93 N 0.00 1.28 -0.67 1.55 2.04 -1.55 0.17 117.51 120.33 2dlv h ILE 93 Ca 0.76 -1.51 -0.05 0.00 1.00 0.00 0.00 64.86 65.06 2dlv h ILE 93 Cb 1.99 1.40 -0.03 0.00 -0.74 0.00 0.00 36.82 39.44 2dlv h ILE 93 CO -0.71 0.49 0.22 0.74 0.00 0.00 0.00 178.15 178.89 2dlv h THR 94 N 0.63 1.24 0.00 -0.27 2.02 0.34 0.54 112.91 117.41 2dlv h THR 94 Ca 0.06 -0.83 -0.03 0.00 0.77 0.00 0.00 66.41 66.38 2dlv h THR 94 Cb 0.89 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.79 2dlv h THR 94 CO 0.08 0.32 -0.72 0.78 0.37 0.00 0.00 175.52 176.36 2dlv h ASN 95 N 0.98 0.00 -0.39 4.18 2.35 -1.17 -3.29 115.58 118.24 2dlv h ASN 95 Ca 0.22 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 2dlv h ASN 95 Cb 0.26 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.63 2dlv h ASN 95 CO -0.01 0.13 0.00 -1.20 -1.65 0.00 0.00 177.43 174.70 2dlv n SER 96 N -2.88 4.29 0.00 5.81 7.64 0.59 -4.49 113.62 124.57 2dlv n SER 96 Ca 0.00 -2.80 0.08 0.00 1.01 0.00 0.00 58.87 57.16 2dlv n SER 96 Cb 0.60 -0.54 0.38 0.00 -1.01 0.00 0.00 64.21 63.64 2dlv n SER 96 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dlv n ILE 97 N 0.07 0.68 -0.01 0.44 0.13 0.18 -1.72 119.36 119.13 2dlv n ILE 97 Ca 0.22 0.17 0.07 0.00 -1.10 0.00 0.00 62.75 62.11 2dlv n ILE 97 Cb 0.90 -0.90 -0.13 0.00 -0.84 0.00 0.00 39.64 38.67 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 -1.36 0.10 -1.52 9.51 -2.24 -1.26 -4.46 114.28 113.05 2dlv n THR 98 Ca 0.06 -0.41 0.04 0.00 -2.27 0.00 0.00 64.05 61.47 2dlv n THR 98 Cb 0.15 0.05 0.20 0.00 -2.10 0.00 0.00 70.33 68.63 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 -2.12 1.65 -2.14 -0.78 1.13 -0.95 -5.03 117.38 109.13 2dlv n GLN 99 Ca -0.05 -3.22 -0.43 0.00 -1.94 0.00 0.00 57.00 51.36 2dlv n GLN 99 Cb 0.49 -1.67 -0.03 0.00 0.11 0.00 0.00 30.24 29.15 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 -3.21 4.13 0.58 -1.09 0.04 -0.70 -5.02 135.00 129.73 2dlv s PRO 100 Ca 0.39 1.95 0.04 0.00 0.04 0.00 0.00 61.00 63.43 2dlv s PRO 100 Cb 0.37 -3.93 0.07 0.00 0.04 0.00 0.00 34.50 31.05 2dlv s PRO 100 CO -0.04 -0.88 0.80 0.95 0.04 0.00 0.00 177.00 177.87 2dlv s THR 101 N 4.07 2.44 0.52 1.26 -4.23 -1.26 -4.84 115.64 113.61 2dlv s THR 101 Ca 0.68 -0.79 0.17 0.00 -1.18 0.00 0.00 61.69 60.56 2dlv s THR 101 Cb -0.29 -2.65 0.28 0.00 1.34 0.00 0.00 72.50 71.18 2dlv s THR 101 CO 0.25 0.00 2.14 -0.07 -0.54 0.00 0.00 174.62 176.40 2dlv h LEU 102 N 0.03 0.00 -2.89 4.79 3.38 -1.94 0.54 115.31 119.23 2dlv h LEU 102 Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.60 2dlv h LEU 102 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 2dlv h LEU 102 CO 0.44 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.97 2dlv n HIS 103 N -4.52 1.51 0.00 1.13 1.44 -1.26 -4.49 115.22 109.03 2dlv n HIS 103 Ca -0.02 -0.55 0.00 0.00 -2.01 0.00 0.00 57.72 55.14 2dlv n HIS 103 Cb 0.12 -0.35 0.00 0.00 0.12 0.00 0.00 29.99 29.88 2dlv n HIS 103 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2dlv n SER 104 N 0.64 0.00 -0.26 4.39 2.88 0.18 -4.07 113.62 117.38 2dlv n SER 104 Ca 0.22 0.52 0.21 0.00 -1.33 0.00 0.00 58.87 58.49 2dlv n SER 104 Cb 0.92 -0.49 0.53 0.00 -0.75 0.00 0.00 64.21 64.42 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 0.00 0.51 -0.77 0.66 0.04 -1.79 -1.82 116.94 113.78 2dlv h PHE 105 Ca 0.00 0.02 0.26 0.00 2.80 0.00 0.00 57.97 61.05 2dlv h PHE 105 Cb 0.00 -0.15 -0.14 0.00 2.20 0.00 0.00 35.95 37.85 2dlv h PHE 105 CO 0.01 0.11 0.20 -3.47 -0.60 0.00 0.00 178.31 174.56 2dlv n ASP 106 N -4.51 0.08 0.38 2.17 2.03 -1.26 0.55 116.55 116.00 2dlv n ASP 106 Ca 0.21 1.29 -0.18 0.00 0.52 0.00 0.00 54.79 56.63 2dlv n ASP 106 Cb 0.78 -0.54 -0.09 0.00 -0.72 0.00 0.00 41.12 40.55 2dlv n ASP 106 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2dlv h ALA 107 N 1.53 -0.96 -0.44 -1.67 0.00 -1.52 -2.90 119.26 113.30 2dlv h ALA 107 Ca 0.55 -0.22 0.08 0.00 0.00 0.00 0.00 54.91 55.33 2dlv h ALA 107 Cb 1.32 0.37 -0.07 0.00 0.00 0.00 0.00 17.79 19.41 2dlv h ALA 107 CO -0.66 -1.01 0.00 0.00 0.00 0.00 0.00 179.25 177.59 2dlv h ALA 108 N -0.78 0.41 -0.90 0.00 0.00 -0.06 -1.26 119.26 116.67 2dlv h ALA 108 Ca -0.10 0.13 0.24 0.00 0.00 0.00 0.00 54.91 55.18 2dlv h ALA 108 Cb 0.75 0.22 -0.14 0.00 0.00 0.00 0.00 17.79 18.63 2dlv h ALA 108 CO 0.16 -0.39 0.34 0.37 0.00 0.00 0.00 179.25 179.73 2dlv h GLN 109 N 0.11 0.29 -0.76 0.00 4.15 -1.01 0.31 115.11 118.20 2dlv h GLN 109 Ca 0.22 -0.02 0.02 0.00 0.77 0.00 0.00 58.65 59.64 2dlv h GLN 109 Cb 0.32 -0.06 -0.04 0.00 0.21 0.00 0.00 27.48 27.90 2dlv h GLN 109 CO -0.36 0.19 0.50 1.03 -1.93 0.00 0.00 178.83 178.25 2dlv h SER 110 N 0.29 0.85 0.63 -0.69 0.87 -1.02 -0.00 113.55 114.49 2dlv h SER 110 Ca 0.58 -0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 61.09 2dlv h SER 110 Cb 1.16 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 62.92 2dlv h SER 110 CO -0.60 0.60 -0.39 -0.09 -0.53 0.00 0.00 176.83 175.82 2dlv h ARG 111 N 1.00 -0.93 -0.76 2.24 1.12 -0.26 -2.26 114.38 114.53 2dlv h ARG 111 Ca 0.29 0.06 0.09 0.00 -1.11 0.00 0.00 59.98 59.32 2dlv h ARG 111 Cb -0.07 0.21 -0.07 0.00 -0.01 0.00 0.00 29.97 30.03 2dlv h ARG 111 CO -0.08 -0.62 0.40 0.28 -3.11 0.00 0.00 179.97 176.84 2dlv h VAL 112 N -0.96 0.88 -0.60 0.20 2.07 -1.37 -1.92 116.25 114.54 2dlv h VAL 112 Ca -0.09 -0.23 0.12 0.00 0.82 0.00 0.00 66.70 67.33 2dlv h VAL 112 Cb 0.77 0.13 -0.10 0.00 -1.52 0.00 0.00 31.29 30.57 2dlv h VAL 112 CO 0.08 0.12 -0.00 0.22 0.02 0.00 0.00 177.57 178.02 2dlv h TYR 113 N 0.68 -0.04 -0.56 1.57 5.03 -0.82 0.99 116.97 123.81 2dlv h TYR 113 Ca 0.37 0.04 -0.06 0.00 2.58 0.00 0.00 58.73 61.67 2dlv h TYR 113 Cb 0.36 0.11 -0.03 0.00 1.55 0.00 0.00 36.73 38.73 2dlv h TYR 113 CO -0.09 -0.16 0.12 1.96 -1.32 0.00 0.00 178.16 178.67 2dlv h GLN 114 N 0.12 0.88 0.00 1.82 4.20 -0.76 -0.03 115.11 121.34 2dlv h GLN 114 Ca 0.31 -0.19 -0.04 0.00 0.06 0.00 0.00 58.65 58.79 2dlv h GLN 114 Cb 0.50 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 2dlv h GLN 114 CO -0.52 0.80 -0.21 -0.07 -0.67 0.00 0.00 178.83 178.16 2dlv h LEU 115 N 0.84 0.00 0.00 1.46 3.38 -0.42 -0.27 115.31 120.30 2dlv h LEU 115 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2dlv h LEU 115 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2dlv h LEU 115 CO 0.00 0.21 -0.87 0.23 0.09 0.00 0.00 178.44 178.10 2dlv n MET 116 N -3.87 0.17 0.03 1.13 2.81 -0.16 -3.97 117.12 113.25 2dlv n MET 116 Ca -0.02 0.00 0.11 0.00 -1.81 0.00 0.00 57.70 55.98 2dlv n MET 116 Cb 0.30 -1.56 -0.06 0.00 -0.71 0.00 0.00 33.22 31.19 2dlv n MET 116 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 2dlv n GLU 117 N -1.77 0.45 0.00 0.03 0.00 -0.09 -0.29 120.64 118.97 2dlv n GLU 117 Ca 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 57.16 57.15 2dlv n GLU 117 Cb 0.39 -1.60 0.00 0.00 0.00 0.00 0.00 31.44 30.23 2dlv n GLU 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2dlv n GLN 118 N -2.16 0.00 -0.01 5.31 10.64 -0.18 -4.32 117.38 126.66 2dlv n GLN 118 Ca -0.00 0.32 -0.01 0.00 -1.83 0.00 0.00 57.00 55.47 2dlv n GLN 118 Cb 0.50 -1.27 -0.01 0.00 -0.86 0.00 0.00 30.24 28.60 2dlv n GLN 118 CO 0.00 0.00 0.00 -0.40 -1.83 0.00 0.00 177.06 174.83 2dlv n ASP 119 N -1.38 4.09 -0.17 2.61 5.75 -1.26 -4.57 116.55 121.62 2dlv n ASP 119 Ca 0.00 -0.01 0.20 0.00 -0.01 0.00 0.00 54.79 54.97 2dlv n ASP 119 Cb 0.00 0.20 0.58 0.00 -1.03 0.00 0.00 41.12 40.87 2dlv n ASP 119 CO 0.00 0.00 0.00 -1.28 -0.11 0.00 0.00 177.20 175.81 2dlv h SER 120 N 0.00 0.26 0.18 -1.12 0.87 -1.80 0.53 113.55 112.47 2dlv h SER 120 Ca -0.06 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.52 2dlv h SER 120 Cb 1.10 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.04 2dlv h SER 120 CO -0.00 0.11 -0.09 0.22 -0.53 0.00 0.00 176.83 176.54 2dlv h TYR 121 N 0.26 -0.22 -0.61 2.24 3.20 -0.84 -2.44 116.97 118.55 2dlv h TYR 121 Ca 0.40 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.37 2dlv h TYR 121 Cb 1.17 0.07 -0.04 0.00 1.54 0.00 0.00 36.73 39.48 2dlv h TYR 121 CO -0.00 -0.14 0.41 0.00 -1.64 0.00 0.00 178.16 176.79 2dlv h THR 122 N -0.45 0.89 0.18 1.81 1.03 -1.73 -2.23 112.91 112.41 2dlv h THR 122 Ca -0.02 -0.14 -0.01 0.00 -0.01 0.00 0.00 66.41 66.22 2dlv h THR 122 Cb 0.18 0.44 0.00 0.00 -1.07 0.00 0.00 68.15 67.70 2dlv h THR 122 CO 0.04 0.08 -0.09 0.03 -0.01 0.00 0.00 175.52 175.57 2dlv h ARG 123 N 0.41 -0.24 -1.15 0.00 3.08 -0.02 -2.69 114.38 113.78 2dlv h ARG 123 Ca 0.28 0.02 0.35 0.00 0.07 0.00 0.00 59.98 60.70 2dlv h ARG 123 Cb 0.56 0.05 -0.12 0.00 0.08 0.00 0.00 29.97 30.55 2dlv h ARG 123 CO -0.08 -0.07 0.72 0.35 -1.07 0.00 0.00 179.97 179.82 2dlv h PHE 124 N -0.36 0.66 -0.66 3.04 3.57 -0.88 0.52 116.94 122.83 2dlv h PHE 124 Ca -0.03 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.54 2dlv h PHE 124 Cb 0.28 -0.18 -0.05 0.00 2.79 0.00 0.00 35.95 38.80 2dlv h PHE 124 CO -0.03 -0.11 0.39 -0.07 -2.23 0.00 0.00 178.31 176.26 2dlv h LEU 125 N 0.24 0.61 -2.90 0.59 3.38 -1.46 -1.13 115.31 114.65 2dlv h LEU 125 Ca 0.72 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.71 2dlv h LEU 125 Cb 2.00 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.64 2dlv h LEU 125 CO -0.42 0.41 0.00 2.29 0.09 0.00 0.00 178.44 180.81 2dlv n LYS 126 N -4.74 3.78 -3.25 1.13 2.85 0.17 -4.66 118.16 113.44 2dlv n LYS 126 Ca 0.07 -2.51 -0.39 0.00 -1.05 0.00 0.00 58.31 54.44 2dlv n LYS 126 Cb 0.13 -1.97 -0.06 0.00 -0.65 0.00 0.00 35.03 32.48 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 -0.73 7.04 0.26 -5.58 1.04 -0.31 -4.97 113.70 110.45 2dlv s SER 127 Ca 0.44 1.23 -0.04 0.00 0.48 0.00 0.00 55.95 58.06 2dlv s SER 127 Cb 0.31 -2.36 0.54 0.00 0.10 0.00 0.00 66.02 64.61 2dlv s SER 127 CO 0.17 0.21 1.63 -0.78 0.98 0.00 0.00 173.24 175.45 2dlv h ASP 128 N 4.93 -0.31 -0.09 7.02 3.58 -1.91 -0.53 116.42 129.10 2dlv h ASP 128 Ca -0.48 0.21 0.04 0.00 0.42 0.00 0.00 57.03 57.22 2dlv h ASP 128 Cb 1.21 0.36 -0.06 0.00 1.72 0.00 0.00 39.33 42.55 2dlv h ASP 128 CO 0.66 -0.20 -0.39 0.40 -2.88 0.00 0.00 179.24 176.82 2dlv h ILE 129 N 0.11 0.19 -0.79 2.25 2.04 -1.93 0.35 117.51 119.73 2dlv h ILE 129 Ca 0.47 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.49 2dlv h ILE 129 Cb 0.88 0.19 -0.10 0.00 -0.74 0.00 0.00 36.82 37.05 2dlv h ILE 129 CO -0.71 0.00 0.33 0.22 0.00 0.00 0.00 178.15 177.99 2dlv h TYR 130 N -0.49 0.56 -0.12 1.37 5.03 -1.28 0.35 116.97 122.39 2dlv h TYR 130 Ca 0.07 0.04 -0.11 0.00 2.58 0.00 0.00 58.73 61.31 2dlv h TYR 130 Cb 0.61 -0.13 -0.01 0.00 1.55 0.00 0.00 36.73 38.75 2dlv h TYR 130 CO -0.44 0.06 -0.40 -0.07 -1.32 0.00 0.00 178.16 175.98 2dlv h LEU 131 N 0.46 0.27 0.28 2.82 3.38 -0.70 -3.15 115.31 118.67 2dlv h LEU 131 Ca 0.44 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.29 2dlv h LEU 131 Cb 0.70 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2dlv h LEU 131 CO -0.42 0.65 -0.13 -0.78 0.09 0.00 0.00 178.44 177.84 2dlv h ASP 132 N 0.22 -0.32 -1.03 -0.43 1.82 0.25 0.38 116.42 117.32 2dlv h ASP 132 Ca 0.02 -0.19 0.39 0.00 -0.39 0.00 0.00 57.03 56.87 2dlv h ASP 132 Cb 0.80 0.08 -0.17 0.00 0.68 0.00 0.00 39.33 40.73 2dlv h ASP 132 CO 0.06 0.17 0.57 0.17 -1.61 0.00 0.00 179.24 178.60 2dlv h LEU 133 N -0.96 0.37 0.07 2.28 8.10 -0.50 0.46 115.31 125.12 2dlv h LEU 133 Ca -0.04 0.23 -0.32 0.00 0.11 0.00 0.00 57.88 57.86 2dlv h LEU 133 Cb 0.48 0.22 -0.03 0.00 -0.44 0.00 0.00 40.66 40.90 2dlv h LEU 133 CO 0.06 -0.34 -1.78 0.00 -4.11 0.00 0.00 178.44 172.28 2dlv h MET 134 N 0.10 0.15 -6.19 0.17 -0.00 -1.57 -3.32 114.93 104.27 2dlv h MET 134 Ca 0.82 -0.26 -0.45 0.00 -0.00 0.00 0.00 59.70 59.81 2dlv h MET 134 Cb 2.12 0.10 0.01 0.00 -0.00 0.00 0.00 31.60 33.82 2dlv h MET 134 CO -0.70 0.90 -0.78 0.45 -0.00 0.00 0.00 176.91 176.77 2dlv n SER 135 N -3.29 -3.40 -3.83 -0.10 2.88 0.16 -4.87 113.62 101.17 2dlv n SER 135 Ca -0.22 -0.78 -0.13 0.00 -1.33 0.00 0.00 58.87 56.40 2dlv n SER 135 Cb 1.05 -4.01 -0.14 0.00 -0.75 0.00 0.00 64.21 60.35 2dlv n SER 135 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dlv s GLY 136 N -3.74 0.00 0.32 0.46 0.00 -1.25 -5.06 107.32 98.05 2dlv s GLY 136 Ca 0.39 0.18 -0.29 0.00 0.00 0.00 0.00 44.72 45.00 2dlv s GLY 136 CO 0.82 0.28 1.22 2.56 0.00 0.00 0.00 173.10 177.98 2dlv s PRO 137 N 0.34 4.44 0.24 2.90 0.04 -1.26 -4.96 135.00 136.73 2dlv s PRO 137 Ca -0.03 2.05 -0.31 0.00 0.04 0.00 0.00 61.00 62.75 2dlv s PRO 137 Cb -0.04 -3.09 -0.11 0.00 0.04 0.00 0.00 34.50 31.30 2dlv s PRO 137 CO -0.01 -0.06 1.60 0.45 0.04 0.00 0.00 177.00 179.03 2dlv s SER 138 N -0.67 6.45 0.11 6.66 0.15 -1.26 -4.91 113.70 120.23 2dlv s SER 138 Ca 0.48 2.82 -0.21 0.00 0.70 0.00 0.00 55.95 59.74 2dlv s SER 138 Cb -0.36 -2.62 -0.10 0.00 -1.71 0.00 0.00 66.02 61.23 2dlv s SER 138 CO 0.48 -0.88 1.76 0.28 1.20 0.00 0.00 173.24 176.07 2dlv h SER 139 N 5.79 0.15 0.00 5.45 0.02 -2.08 -3.57 113.55 119.31 2dlv h SER 139 Ca -0.45 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 2dlv h SER 139 Cb 1.21 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.71 2dlv h SER 139 CO 0.86 0.12 0.00 0.61 -1.14 0.00 0.00 176.83 177.28