#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m4p h VAL 3 N 0.00 0.79 0.45 0.00 2.07 -2.04 0.36 116.25 117.88 1m4p h VAL 3 Ca 0.00 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 1m4p h VAL 3 Cb 0.00 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 29.97 1m4p h VAL 3 CO 0.00 0.10 -0.51 0.77 0.02 0.00 0.00 177.57 177.94 1m4p h SER 4 N 0.52 -1.43 -0.83 0.57 4.64 -2.04 1.42 113.55 116.41 1m4p h SER 4 Ca 0.35 0.12 0.09 0.00 -0.47 0.00 0.00 61.79 61.89 1m4p h SER 4 Cb 0.42 0.48 -0.07 0.00 -0.31 0.00 0.00 62.40 62.92 1m4p h SER 4 CO -0.30 -0.66 0.48 -0.33 -0.87 0.00 0.00 176.83 175.15 1m4p h GLU 5 N -0.98 0.78 -0.40 4.77 5.08 -1.84 0.85 114.58 122.84 1m4p h GLU 5 Ca -0.06 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 1m4p h GLU 5 Cb 0.87 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 1m4p h GLU 5 CO -0.10 0.52 0.13 1.03 -1.00 0.00 0.00 179.01 179.59 1m4p h SER 6 N 0.80 0.57 -0.52 1.42 0.87 0.34 -1.82 113.55 115.22 1m4p h SER 6 Ca 0.40 -0.20 -0.10 0.00 -1.23 0.00 0.00 61.79 60.66 1m4p h SER 6 Cb 0.36 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.15 1m4p h SER 6 CO -0.24 0.62 -0.07 -0.61 -0.53 0.00 0.00 176.83 175.99 1m4p h GLN 7 N 0.50 0.99 -0.18 2.24 5.75 0.32 -1.90 115.11 122.82 1m4p h GLN 7 Ca 0.13 -0.34 0.04 0.00 -0.15 0.00 0.00 58.65 58.33 1m4p h GLN 7 Cb 0.24 -0.08 -0.04 0.00 1.07 0.00 0.00 27.48 28.68 1m4p h GLN 7 CO -0.01 1.01 -0.07 1.25 -2.65 0.00 0.00 178.83 178.36 1m4p h LEU 8 N 0.89 -0.25 -1.99 -2.39 5.85 0.95 0.49 115.31 118.85 1m4p h LEU 8 Ca 0.15 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.91 1m4p h LEU 8 Cb 0.61 0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.79 1m4p h LEU 8 CO 0.04 -0.10 -0.10 0.50 -0.34 0.00 0.00 178.44 178.44 1m4p h LYS 9 N -0.05 0.00 0.00 1.25 3.64 -1.18 0.19 116.57 120.42 1m4p h LYS 9 Ca 0.10 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1m4p h LYS 9 Cb 0.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1m4p h LYS 9 CO -0.21 0.10 -0.19 1.17 -2.27 0.00 0.00 179.45 178.05 1m4p n LYS 10 N -3.76 0.16 -0.55 1.90 4.81 0.51 -3.06 118.16 118.18 1m4p n LYS 10 Ca -0.02 0.10 0.08 0.00 -0.87 0.00 0.00 58.31 57.60 1m4p n LYS 10 Cb 0.21 -1.66 0.32 0.00 0.02 0.00 0.00 35.03 33.91 1m4p n LYS 10 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 1m4p n MET 11 N -1.93 3.44 0.00 1.64 2.81 0.14 -4.80 117.12 118.42 1m4p n MET 11 Ca 0.05 -2.51 0.00 0.00 -1.81 0.00 0.00 57.70 53.43 1m4p n MET 11 Cb 0.40 -1.84 0.00 0.00 -0.71 0.00 0.00 33.22 31.07 1m4p n MET 11 CO 0.00 0.00 0.00 1.33 1.51 0.00 0.00 175.97 178.81 1m4p n VAL 12 N 0.95 0.00 0.00 2.03 0.24 -1.17 -4.91 118.33 115.48 1m4p n VAL 12 Ca 0.23 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.53 1m4p n VAL 12 Cb 0.81 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.18 1m4p n VAL 12 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1m4p n SER 13 N 0.00 0.00 -0.48 -1.34 2.88 -1.17 -4.34 113.62 109.17 1m4p n SER 13 Ca 0.00 0.00 0.42 0.00 -1.33 0.00 0.00 58.87 57.96 1m4p n SER 13 Cb 0.00 0.00 0.77 0.00 -0.75 0.00 0.00 64.21 64.23 1m4p n SER 13 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1m4p h LYS 14 N 0.00 0.02 -6.61 -1.46 3.64 -1.94 -3.40 116.57 106.81 1m4p h LYS 14 Ca 0.00 -0.00 -0.58 0.00 -1.27 0.00 0.00 60.65 58.80 1m4p h LYS 14 Cb 0.00 -0.00 0.08 0.00 -0.41 0.00 0.00 32.23 31.90 1m4p h LYS 14 CO 0.00 0.01 0.66 0.66 -2.27 0.00 0.00 179.45 178.51 1m4p n TYR 15 N -4.12 2.27 -0.33 1.91 4.02 -1.26 -4.85 117.16 114.80 1m4p n TYR 15 Ca 0.34 0.40 0.01 0.00 -0.01 0.00 0.00 57.90 58.64 1m4p n TYR 15 Cb 1.55 -2.48 0.08 0.00 -0.02 0.00 0.00 39.34 38.46 1m4p n TYR 15 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 1m4p h LYS 16 N 4.39 -0.02 -1.85 -0.72 3.64 -1.78 -2.18 116.57 118.04 1m4p h LYS 16 Ca -0.45 0.00 -0.54 0.00 -1.27 0.00 0.00 60.65 58.39 1m4p h LYS 16 Cb 1.27 0.01 -0.41 0.00 -0.41 0.00 0.00 32.23 32.68 1m4p h LYS 16 CO 0.77 -0.02 -0.85 0.66 -2.27 0.00 0.00 179.45 177.75 1m4p n TYR 17 N -5.53 2.76 -0.30 1.91 4.01 -1.26 -4.88 117.16 113.87 1m4p n TYR 17 Ca 0.11 -3.56 0.34 0.00 -0.16 0.00 0.00 57.90 54.64 1m4p n TYR 17 Cb 0.42 -0.35 0.63 0.00 -0.31 0.00 0.00 39.34 39.74 1m4p n TYR 17 CO 0.00 0.00 0.00 0.07 -0.46 0.00 0.00 176.86 176.47 1m4p h ARG 18 N 2.88 0.00 0.30 -0.72 -0.00 -1.60 0.58 114.38 115.82 1m4p h ARG 18 Ca 0.14 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 60.11 1m4p h ARG 18 Cb 0.80 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.77 1m4p h ARG 18 CO 0.72 0.00 -0.15 0.22 -0.00 0.00 0.00 179.97 180.77 1m4p h ASP 19 N 0.00 -0.35 -0.87 0.08 3.58 -1.90 0.99 116.42 117.95 1m4p h ASP 19 Ca 0.57 -0.11 0.12 0.00 0.42 0.00 0.00 57.03 58.03 1m4p h ASP 19 Cb 2.75 0.09 -0.07 0.00 1.72 0.00 0.00 39.33 43.82 1m4p h ASP 19 CO -0.01 0.13 0.56 0.25 -2.88 0.00 0.00 179.24 177.30 1m4p h LEU 20 N -1.04 0.70 -0.11 2.28 7.12 -0.43 0.22 115.31 124.05 1m4p h LEU 20 Ca -0.04 0.03 -0.03 0.00 0.13 0.00 0.00 57.88 57.97 1m4p h LEU 20 Cb 0.44 -0.11 -0.00 0.00 -0.53 0.00 0.00 40.66 40.45 1m4p h LEU 20 CO 0.07 0.38 -0.05 0.74 -0.13 0.00 0.00 178.44 179.45 1m4p h THR 21 N 0.75 1.31 -0.49 1.05 2.02 -0.57 -1.36 112.91 115.62 1m4p h THR 21 Ca 0.42 -1.04 0.04 0.00 0.77 0.00 0.00 66.41 66.60 1m4p h THR 21 Cb 0.58 1.76 -0.04 0.00 -1.74 0.00 0.00 68.15 68.71 1m4p h THR 21 CO -0.19 0.30 0.25 0.58 0.37 0.00 0.00 175.52 176.83 1m4p h VAL 22 N -0.11 0.97 -0.74 3.16 2.07 0.50 0.82 116.25 122.92 1m4p h VAL 22 Ca 0.03 -0.17 0.01 0.00 0.82 0.00 0.00 66.70 67.38 1m4p h VAL 22 Cb 0.49 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 1m4p h VAL 22 CO 0.01 0.09 0.48 -0.09 0.02 0.00 0.00 177.57 178.09 1m4p h ARG 23 N 0.50 0.97 -0.04 1.57 9.65 -0.55 0.73 114.38 127.21 1m4p h ARG 23 Ca 0.21 -0.06 -0.21 0.00 -1.10 0.00 0.00 59.98 58.82 1m4p h ARG 23 Cb 0.11 -0.22 0.00 0.00 -1.39 0.00 0.00 29.97 28.47 1m4p h ARG 23 CO -0.14 0.65 -0.86 0.93 2.80 0.00 0.00 179.97 183.34 1m4p h GLU 24 N 1.00 0.47 0.21 0.20 5.08 -0.02 -2.00 114.58 119.52 1m4p h GLU 24 Ca 0.27 -0.45 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 1m4p h GLU 24 Cb -0.11 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1m4p h GLU 24 CO -0.06 1.09 -0.10 1.15 -1.00 0.00 0.00 179.01 180.09 1m4p h THR 25 N 0.29 0.78 -0.91 1.13 2.02 0.14 -2.57 112.91 113.79 1m4p h THR 25 Ca -0.06 -0.93 0.11 0.00 0.77 0.00 0.00 66.41 66.29 1m4p h THR 25 Cb 1.48 1.25 -0.08 0.00 -1.74 0.00 0.00 68.15 69.05 1m4p h THR 25 CO 0.15 0.18 0.54 -0.37 0.37 0.00 0.00 175.52 176.40 1m4p h VAL 26 N -0.83 0.90 -0.29 3.16 -1.51 0.35 -0.56 116.25 117.46 1m4p h VAL 26 Ca -0.03 -0.30 0.06 0.00 -1.23 0.00 0.00 66.70 65.20 1m4p h VAL 26 Cb 0.51 -0.05 -0.05 0.00 -2.13 0.00 0.00 31.29 29.57 1m4p h VAL 26 CO 0.05 0.16 -0.05 0.78 -1.23 0.00 0.00 177.57 177.28 1m4p h ASN 27 N 0.87 -0.21 0.07 4.19 4.21 -1.36 1.09 115.58 124.45 1m4p h ASN 27 Ca 0.45 0.08 -0.00 0.00 1.21 0.00 0.00 56.30 58.04 1m4p h ASN 27 Cb 0.44 0.16 -0.01 0.00 -1.12 0.00 0.00 38.32 37.79 1m4p h ASN 27 CO -0.26 -0.07 -0.11 0.58 -1.29 0.00 0.00 177.43 176.28 1m4p h VAL 28 N 0.03 0.00 -0.61 2.81 2.07 -0.70 0.68 116.25 120.53 1m4p h VAL 28 Ca 0.14 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.84 1m4p h VAL 28 Cb 0.21 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.95 1m4p h VAL 28 CO -0.28 0.00 0.52 0.16 0.02 0.00 0.00 177.57 177.99 1m4p h ILE 29 N -0.19 0.49 0.00 4.57 3.07 -1.18 1.28 117.51 125.55 1m4p h ILE 29 Ca -0.01 0.00 -0.11 0.00 1.55 0.00 0.00 64.86 66.30 1m4p h ILE 29 Cb 0.17 0.62 -0.02 0.00 -0.27 0.00 0.00 36.82 37.32 1m4p h ILE 29 CO -0.03 0.00 -0.50 0.74 -1.05 0.00 0.00 178.15 177.31 1m4p h THR 30 N 0.00 1.11 0.11 0.16 2.02 0.29 1.18 112.91 117.77 1m4p h THR 30 Ca 0.29 -1.89 -0.30 0.00 0.77 0.00 0.00 66.41 65.28 1m4p h THR 30 Cb 1.32 2.10 -0.01 0.00 -1.74 0.00 0.00 68.15 69.82 1m4p h THR 30 CO -0.00 0.49 -1.52 0.25 0.37 0.00 0.00 175.52 175.10 1m4p h LEU 31 N 0.00 0.35 0.00 2.58 5.85 0.74 -3.39 115.31 121.44 1m4p h LEU 31 Ca -0.01 -0.49 0.00 0.00 0.84 0.00 0.00 57.88 58.22 1m4p h LEU 31 Cb 1.06 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.97 1m4p h LEU 31 CO 0.07 1.41 -0.24 1.88 -0.34 0.00 0.00 178.44 181.22 1m4p h TYR 32 N 0.06 0.00 0.00 1.25 0.05 -0.61 -3.48 116.97 114.24 1m4p h TYR 32 Ca -0.24 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.54 1m4p h TYR 32 Cb 2.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.74 1m4p h TYR 32 CO 0.06 0.00 0.00 1.17 -1.05 0.00 0.00 178.16 178.34 1m4p n LYS 33 N -4.68 0.00 -0.01 4.88 4.81 0.41 -4.73 118.16 118.84 1m4p n LYS 33 Ca -0.03 0.00 0.02 0.00 -0.87 0.00 0.00 58.31 57.42 1m4p n LYS 33 Cb 0.13 -1.14 -0.05 0.00 0.02 0.00 0.00 35.03 33.98 1m4p n LYS 33 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1m4p n ASP 34 N 0.00 3.40 -4.72 3.14 8.00 -1.26 -4.98 116.55 120.13 1m4p n ASP 34 Ca 0.00 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.09 1m4p n ASP 34 Cb 0.00 1.14 -0.04 0.00 -0.02 0.00 0.00 41.12 42.20 1m4p n ASP 34 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1m4p s LEU 35 N -3.75 4.37 0.02 0.64 2.96 -1.26 -4.08 118.68 117.59 1m4p s LEU 35 Ca -0.03 1.48 0.06 0.00 -0.22 0.00 0.00 54.13 55.43 1m4p s LEU 35 Cb 0.04 -3.36 -0.03 0.00 0.50 0.00 0.00 46.19 43.34 1m4p s LEU 35 CO 0.28 -0.16 -0.17 -0.54 -1.32 0.00 0.00 176.35 174.45 1m4p s LYS 36 N 0.71 2.16 0.11 1.98 1.02 0.16 -4.58 119.74 121.31 1m4p s LYS 36 Ca 0.45 -0.92 -0.30 0.00 0.02 0.00 0.00 55.97 55.21 1m4p s LYS 36 Cb -0.20 -2.23 -0.06 0.00 -0.52 0.00 0.00 37.83 34.82 1m4p s LYS 36 CO 0.24 0.56 1.15 -1.25 -0.92 0.00 0.00 175.35 175.13 1m4p s PRO 37 N -1.31 4.50 0.12 -1.68 0.04 -1.26 -1.35 135.00 134.06 1m4p s PRO 37 Ca 0.14 1.74 0.09 0.00 0.04 0.00 0.00 61.00 63.01 1m4p s PRO 37 Cb -0.11 -3.32 -0.04 0.00 0.04 0.00 0.00 34.50 31.08 1m4p s PRO 37 CO 0.05 -0.11 -0.21 0.54 0.04 0.00 0.00 177.00 177.31 1m4p s VAL 38 N 0.48 1.79 0.10 -0.36 0.11 0.49 -4.92 120.40 118.09 1m4p s VAL 38 Ca 0.54 -1.66 0.10 0.00 -2.93 0.00 0.00 61.98 58.04 1m4p s VAL 38 Cb -0.29 -1.67 -0.04 0.00 -1.53 0.00 0.00 36.38 32.86 1m4p s VAL 38 CO 0.32 -0.11 -0.27 -0.22 -3.33 0.00 0.00 175.10 171.50 1m4p s LEU 39 N -2.11 2.26 -0.15 2.54 1.98 -1.26 -1.70 118.68 120.24 1m4p s LEU 39 Ca 0.09 -0.69 -0.17 0.00 -2.89 0.00 0.00 54.13 50.48 1m4p s LEU 39 Cb -0.09 -1.24 0.04 0.00 0.66 0.00 0.00 46.19 45.57 1m4p s LEU 39 CO 0.05 0.21 0.46 1.51 -1.89 0.00 0.00 176.35 176.69 1m4p s ASP 40 N -1.74 -0.46 -0.34 3.68 -4.77 -1.02 -4.99 116.67 107.02 1m4p s ASP 40 Ca 0.13 0.84 -0.08 0.00 -3.30 0.00 0.00 52.55 50.14 1m4p s ASP 40 Cb -0.10 0.86 0.03 0.00 -1.09 0.00 0.00 42.92 42.62 1m4p s ASP 40 CO 0.04 -0.21 0.13 -0.55 0.70 0.00 0.00 175.17 175.28 1m4p s SER 41 N 0.01 5.42 0.30 2.11 0.15 -1.26 -1.52 113.70 118.91 1m4p s SER 41 Ca -0.02 -1.01 0.09 0.00 0.70 0.00 0.00 55.95 55.71 1m4p s SER 41 Cb -0.03 -1.92 -0.04 0.00 -1.71 0.00 0.00 66.02 62.31 1m4p s SER 41 CO 0.02 -0.32 0.04 -0.47 1.20 0.00 0.00 173.24 173.71 1m4p s TYR 42 N 1.47 2.66 -0.13 3.44 5.04 -0.61 -4.77 117.35 124.45 1m4p s TYR 42 Ca 0.00 -0.32 -0.06 0.00 -2.44 0.00 0.00 57.07 54.26 1m4p s TYR 42 Cb -0.19 -1.38 -0.04 0.00 0.35 0.00 0.00 41.96 40.70 1m4p s TYR 42 CO 0.04 0.51 0.07 0.14 -1.34 0.00 0.00 175.55 174.97 1m4p s VAL 43 N -2.40 4.93 0.17 3.14 -7.23 -1.26 0.15 120.40 117.90 1m4p s VAL 43 Ca 0.34 -0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.51 1m4p s VAL 43 Cb -0.04 -3.16 0.00 0.00 0.56 0.00 0.00 36.38 33.74 1m4p s VAL 43 CO 0.21 0.56 0.00 0.49 -0.31 0.00 0.00 175.10 176.04 1m4p n PHE 44 N 2.61 -2.09 -1.56 2.82 3.72 -0.89 -4.76 117.46 117.31 1m4p n PHE 44 Ca -0.18 0.43 -0.14 0.00 -0.05 0.00 0.00 57.45 57.50 1m4p n PHE 44 Cb 0.54 1.16 -0.07 0.00 -0.94 0.00 0.00 39.48 40.16 1m4p n PHE 44 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1m4p n ASN 45 N -2.96 1.71 -1.83 4.37 3.02 -1.24 -2.33 115.26 116.00 1m4p n ASN 45 Ca 0.00 -1.44 -0.13 0.00 -0.03 0.00 0.00 54.58 52.98 1m4p n ASN 45 Cb 0.00 -1.63 -0.03 0.00 -0.61 0.00 0.00 39.78 37.51 1m4p n ASN 45 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1m4p n ASP 46 N 18.27 -3.63 -0.15 6.41 2.03 -1.26 0.24 116.55 138.46 1m4p n ASP 46 Ca 0.48 0.26 0.00 0.00 0.52 0.00 0.00 54.79 56.04 1m4p n ASP 46 Cb 0.42 -3.25 0.00 0.00 -0.72 0.00 0.00 41.12 37.57 1m4p n ASP 46 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1m4p n GLY 47 N -0.49 1.04 3.52 0.27 0.00 -0.99 -5.07 105.19 103.48 1m4p n GLY 47 Ca -0.14 -0.41 -0.34 0.00 0.00 0.00 0.00 46.02 45.13 1m4p n GLY 47 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1m4p s SER 48 N -2.53 5.08 0.39 1.61 0.15 0.14 -4.72 113.70 113.81 1m4p s SER 48 Ca 0.00 -0.09 -0.26 0.00 0.70 0.00 0.00 55.95 56.31 1m4p s SER 48 Cb 0.00 -1.86 -0.11 0.00 -1.71 0.00 0.00 66.02 62.35 1m4p s SER 48 CO 0.00 0.14 1.15 -1.54 1.20 0.00 0.00 173.24 174.18 1m4p n SER 49 N 3.77 1.97 -3.81 5.45 3.41 -1.26 -2.09 113.62 121.07 1m4p n SER 49 Ca -0.17 1.11 -0.10 0.00 -0.26 0.00 0.00 58.87 59.44 1m4p n SER 49 Cb 0.52 -1.42 -0.08 0.00 -0.26 0.00 0.00 64.21 62.98 1m4p n SER 49 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1m4p s ARG 50 N -2.01 0.79 -0.18 4.33 1.04 0.39 -4.91 118.95 118.40 1m4p s ARG 50 Ca 0.61 -0.70 -0.25 0.00 -1.04 0.00 0.00 55.73 54.34 1m4p s ARG 50 Cb -0.56 0.33 -0.01 0.00 -2.04 0.00 0.00 34.95 32.67 1m4p s ARG 50 CO 0.58 -0.25 0.84 -2.00 -0.04 0.00 0.00 175.30 174.43 1m4p s GLU 51 N -3.02 4.28 -0.08 3.89 2.12 -1.26 -1.57 118.70 123.05 1m4p s GLU 51 Ca -0.02 1.02 0.02 0.00 0.36 0.00 0.00 54.97 56.35 1m4p s GLU 51 Cb 0.01 -3.59 0.01 0.00 0.26 0.00 0.00 34.13 30.83 1m4p s GLU 51 CO -0.06 -0.37 -0.14 -1.17 -0.54 0.00 0.00 175.26 172.98 1m4p s LEU 52 N 2.28 1.68 -0.05 2.70 1.98 -0.57 -4.92 118.68 121.78 1m4p s LEU 52 Ca 0.38 -0.35 -0.19 0.00 -2.89 0.00 0.00 54.13 51.08 1m4p s LEU 52 Cb -0.16 -0.94 -0.05 0.00 0.66 0.00 0.00 46.19 45.70 1m4p s LEU 52 CO 0.11 0.03 0.52 -0.04 -1.89 0.00 0.00 176.35 175.08 1m4p s MET 53 N 0.76 4.26 0.13 1.98 -1.94 -1.04 -2.44 119.30 121.02 1m4p s MET 53 Ca -0.12 0.56 -0.06 0.00 -1.71 0.00 0.00 55.69 54.37 1m4p s MET 53 Cb -0.16 -3.36 -0.02 0.00 2.01 0.00 0.00 34.83 33.31 1m4p s MET 53 CO 0.02 0.34 0.17 0.54 -0.01 0.00 0.00 175.02 176.09 1m4p s ASN 54 N -0.02 0.17 0.23 3.03 4.22 -0.69 0.17 114.94 122.05 1m4p s ASN 54 Ca 0.28 -0.96 0.10 0.00 -2.14 0.00 0.00 52.86 50.14 1m4p s ASN 54 Cb -0.17 0.36 -0.05 0.00 1.28 0.00 0.00 41.25 42.67 1m4p s ASN 54 CO 0.14 -0.79 -0.20 -0.76 -2.04 0.00 0.00 177.10 173.45 1m4p s LEU 55 N -2.98 2.52 0.13 3.54 1.43 -0.71 -0.38 118.68 122.24 1m4p s LEU 55 Ca 0.17 -0.96 -0.20 0.00 -1.03 0.00 0.00 54.13 52.10 1m4p s LEU 55 Cb 0.05 -0.99 0.05 0.00 0.03 0.00 0.00 46.19 45.34 1m4p s LEU 55 CO -0.02 0.01 0.51 0.28 0.23 0.00 0.00 176.35 177.36 1m4p s THR 56 N -2.33 0.03 -3.72 5.49 -1.32 -0.46 -2.39 115.64 110.94 1m4p s THR 56 Ca 0.24 -0.26 0.00 0.00 -1.21 0.00 0.00 61.69 60.46 1m4p s THR 56 Cb -0.05 -1.06 0.00 0.00 -1.51 0.00 0.00 72.50 69.88 1m4p s THR 56 CO 0.11 -0.15 0.00 0.61 -2.21 0.00 0.00 174.62 172.98 1m4p n GLY 57 N -0.19 0.98 3.72 6.08 0.00 -1.22 0.39 105.19 114.96 1m4p n GLY 57 Ca -0.17 -2.05 -0.35 0.00 0.00 0.00 0.00 46.02 43.46 1m4p n GLY 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1m4p s THR 58 N -1.03 5.33 0.02 2.61 -4.23 -1.26 -1.44 115.64 115.64 1m4p s THR 58 Ca 0.00 0.16 -0.01 0.00 -1.18 0.00 0.00 61.69 60.66 1m4p s THR 58 Cb 0.00 -3.42 -0.04 0.00 1.34 0.00 0.00 72.50 70.38 1m4p s THR 58 CO 0.00 0.45 0.18 0.27 -0.54 0.00 0.00 174.62 174.97 1m4p s ILE 59 N 0.33 5.30 -0.85 2.99 -4.36 0.16 -4.24 121.20 120.54 1m4p s ILE 59 Ca 0.07 -0.30 -0.25 0.00 -0.26 0.00 0.00 60.65 59.92 1m4p s ILE 59 Cb -0.11 -3.52 0.00 0.00 1.25 0.00 0.00 42.46 40.09 1m4p s ILE 59 CO -0.02 0.25 1.64 -2.16 0.24 0.00 0.00 174.94 174.89 1m4p s PRO 60 N -2.14 3.02 -0.33 0.37 0.04 -1.26 -1.61 135.00 133.09 1m4p s PRO 60 Ca 0.30 -0.35 -0.16 0.00 0.04 0.00 0.00 61.00 60.83 1m4p s PRO 60 Cb -0.13 -4.83 -0.01 0.00 0.04 0.00 0.00 34.50 29.57 1m4p s PRO 60 CO 0.22 -2.63 0.41 0.08 0.04 0.00 0.00 177.00 175.11 1m4p s VAL 61 N 7.41 5.12 0.25 -0.36 1.01 -0.83 -4.88 120.40 128.12 1m4p s VAL 61 Ca 0.55 0.22 -0.30 0.00 0.00 0.00 0.00 61.98 62.46 1m4p s VAL 61 Cb -0.06 -3.84 -0.09 0.00 0.00 0.00 0.00 36.38 32.39 1m4p s VAL 61 CO 0.04 -0.08 1.09 -2.16 0.00 0.00 0.00 175.10 173.99 1m4p s PRO 62 N 2.14 4.64 0.40 2.72 0.04 -1.26 -0.75 135.00 142.91 1m4p s PRO 62 Ca 0.14 1.76 0.05 0.00 0.04 0.00 0.00 61.00 63.00 1m4p s PRO 62 Cb -0.16 -3.22 -0.02 0.00 0.04 0.00 0.00 34.50 31.14 1m4p s PRO 62 CO 0.12 0.18 0.19 0.98 0.04 0.00 0.00 177.00 178.51 1m4p n TYR 63 N 1.58 -0.12 0.39 0.56 9.36 0.66 -4.71 117.16 124.88 1m4p n TYR 63 Ca 0.00 -2.72 0.07 0.00 3.32 0.00 0.00 57.90 58.57 1m4p n TYR 63 Cb 0.45 0.08 0.33 0.00 -0.63 0.00 0.00 39.34 39.57 1m4p n TYR 63 CO 0.00 0.00 0.00 2.89 0.22 0.00 0.00 176.86 179.97 1m4p n ARG 64 N -0.86 0.05 -0.08 2.98 1.85 -1.26 -2.82 116.66 116.52 1m4p n ARG 64 Ca -0.02 0.34 -0.12 0.00 -1.00 0.00 0.00 57.85 57.06 1m4p n ARG 64 Cb 0.62 -1.61 -0.08 0.00 -1.05 0.00 0.00 32.46 30.34 1m4p n ARG 64 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1m4p n GLY 65 N -0.27 -0.23 0.00 2.89 0.00 -1.26 -5.12 105.19 101.20 1m4p n GLY 65 Ca 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1m4p n GLY 65 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1m4p n ASN 66 N -2.99 0.00 -4.50 1.61 6.94 -1.13 -5.10 115.26 110.09 1m4p n ASN 66 Ca -0.30 0.00 -0.43 0.00 -0.02 0.00 0.00 54.58 53.83 1m4p n ASN 66 Cb 0.82 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 38.18 1m4p n ASN 66 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1m4p s THR 67 N -2.18 4.75 0.00 5.53 2.01 -1.26 -0.24 115.64 124.25 1m4p s THR 67 Ca 0.00 -0.02 0.00 0.00 0.31 0.00 0.00 61.69 61.98 1m4p s THR 67 Cb 0.00 -4.30 0.00 0.00 0.01 0.00 0.00 72.50 68.21 1m4p s THR 67 CO 0.00 -0.76 0.00 -1.22 -0.69 0.00 0.00 174.62 171.95 1m4p n TYR 68 N 6.49 -2.64 -4.01 4.92 4.02 0.07 -4.77 117.16 121.24 1m4p n TYR 68 Ca -0.02 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.56 1m4p n TYR 68 Cb 0.47 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.64 1m4p n TYR 68 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 1m4p s ASN 69 N -1.00 4.04 -0.15 7.72 0.01 -1.26 -1.96 114.94 122.33 1m4p s ASN 69 Ca 0.00 -1.22 -0.02 0.00 -0.71 0.00 0.00 52.86 50.91 1m4p s ASN 69 Cb 0.00 -1.36 -0.02 0.00 0.41 0.00 0.00 41.25 40.28 1m4p s ASN 69 CO 0.00 -0.20 -0.09 -0.51 -1.51 0.00 0.00 177.10 174.79 1m4p s ILE 70 N 1.26 3.29 0.53 0.60 2.07 -0.63 -4.82 121.20 123.50 1m4p s ILE 70 Ca -0.06 -0.56 -0.18 0.00 -1.41 0.00 0.00 60.65 58.43 1m4p s ILE 70 Cb -0.19 -2.42 -0.07 0.00 0.13 0.00 0.00 42.46 39.91 1m4p s ILE 70 CO -0.06 0.50 1.04 -2.16 -1.91 0.00 0.00 174.94 172.35 1m4p s PRO 71 N 0.59 3.62 0.09 3.50 0.04 -1.26 0.38 135.00 141.96 1m4p s PRO 71 Ca -0.06 1.27 -0.13 0.00 0.04 0.00 0.00 61.00 62.12 1m4p s PRO 71 Cb -0.15 -2.07 0.02 0.00 0.04 0.00 0.00 34.50 32.34 1m4p s PRO 71 CO 0.03 -0.57 0.31 0.42 0.04 0.00 0.00 177.00 177.23 1m4p s ILE 72 N -2.21 0.10 -0.08 0.56 1.01 -0.52 -3.62 121.20 116.44 1m4p s ILE 72 Ca 0.65 -0.78 -0.03 0.00 0.00 0.00 0.00 60.65 60.49 1m4p s ILE 72 Cb -0.16 -1.16 0.04 0.00 0.01 0.00 0.00 42.46 41.19 1m4p s ILE 72 CO 0.27 -0.43 0.07 0.00 0.00 0.00 0.00 174.94 174.85 1m4p s LEU 74 N 2.15 2.45 -0.34 0.00 2.01 -1.01 -2.58 118.68 121.37 1m4p s LEU 74 Ca 0.04 -0.46 -0.04 0.00 0.01 0.00 0.00 54.13 53.68 1m4p s LEU 74 Cb -0.13 -1.44 0.05 0.00 0.01 0.00 0.00 46.19 44.68 1m4p s LEU 74 CO -0.05 0.27 0.09 0.26 1.01 0.00 0.00 176.35 177.93 1m4p s TRP 75 N -0.86 3.30 -0.26 0.29 0.52 -0.85 -1.73 118.94 119.35 1m4p s TRP 75 Ca 0.13 -1.70 -0.16 0.00 0.02 0.00 0.00 56.10 54.38 1m4p s TRP 75 Cb -0.10 -2.36 -0.03 0.00 -1.15 0.00 0.00 33.47 29.82 1m4p s TRP 75 CO 0.04 -0.79 0.44 -0.51 0.02 0.00 0.00 176.95 176.15 1m4p s LEU 76 N 1.32 4.06 0.00 2.99 1.02 0.46 -2.37 118.68 126.16 1m4p s LEU 76 Ca -0.02 0.43 0.00 0.00 0.02 0.00 0.00 54.13 54.56 1m4p s LEU 76 Cb -0.20 -2.55 0.00 0.00 0.02 0.00 0.00 46.19 43.46 1m4p s LEU 76 CO 0.01 -0.22 0.00 -0.11 0.02 0.00 0.00 176.35 176.05 1m4p n LEU 77 N 5.31 0.00 -0.07 1.79 7.94 -1.26 -2.48 117.00 128.23 1m4p n LEU 77 Ca -0.06 0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 54.73 1m4p n LEU 77 Cb 0.50 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 44.38 1m4p n LEU 77 CO 0.39 -0.53 -0.01 0.44 -1.11 0.00 0.00 177.39 176.57 1m4p h ASP 78 N -0.24 0.00 0.00 1.96 3.32 -1.95 -3.44 116.42 116.06 1m4p h ASP 78 Ca 0.00 -0.49 -0.10 0.00 0.02 0.00 0.00 57.03 56.46 1m4p h ASP 78 Cb 0.00 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 39.45 1m4p h ASP 78 CO 0.00 0.94 0.11 1.07 -1.72 0.00 0.00 179.24 179.63 1m4p n THR 79 N -4.62 0.00 0.00 0.35 5.66 -1.26 -4.48 114.28 109.93 1m4p n THR 79 Ca -0.12 -0.64 0.00 0.00 -3.05 0.00 0.00 64.05 60.25 1m4p n THR 79 Cb 0.36 0.98 0.00 0.00 -1.55 0.00 0.00 70.33 70.12 1m4p n THR 79 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1m4p n TYR 80 N 0.30 0.00 -0.02 1.09 4.19 -1.26 -4.83 117.16 116.63 1m4p n TYR 80 Ca -0.10 0.00 -0.16 0.00 3.31 0.00 0.00 57.90 60.95 1m4p n TYR 80 Cb 0.74 0.00 -0.11 0.00 0.49 0.00 0.00 39.34 40.46 1m4p n TYR 80 CO 0.00 0.00 0.00 -1.00 0.91 0.00 0.00 176.86 176.77 1m4p h PRO 81 N 0.00 0.31 0.00 2.98 0.13 -2.01 -3.42 132.00 129.99 1m4p h PRO 81 Ca 0.00 -0.30 -0.12 0.00 -0.87 0.00 0.00 66.00 64.71 1m4p h PRO 81 Cb 0.00 0.08 -0.12 0.00 0.13 0.00 0.00 31.00 31.09 1m4p h PRO 81 CO 0.00 0.98 -0.25 0.66 -0.23 0.00 0.00 178.00 179.16 1m4p n TYR 82 N -4.38 -0.40 0.00 1.56 4.01 -1.26 -5.14 117.16 111.54 1m4p n TYR 82 Ca -0.09 -0.67 0.00 0.00 -0.16 0.00 0.00 57.90 56.97 1m4p n TYR 82 Cb 0.56 0.68 0.00 0.00 -0.31 0.00 0.00 39.34 40.27 1m4p n TYR 82 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1m4p n ASN 83 N -0.30 0.00 -4.62 7.72 5.03 -1.26 -4.99 115.26 116.84 1m4p n ASN 83 Ca -0.23 0.00 -0.43 0.00 0.87 0.00 0.00 54.58 54.79 1m4p n ASN 83 Cb 0.69 0.00 -0.02 0.00 -1.02 0.00 0.00 39.78 39.42 1m4p n ASN 83 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 1m4p s PRO 84 N -2.00 3.81 0.99 3.52 0.04 -1.26 -4.70 135.00 135.40 1m4p s PRO 84 Ca 0.00 1.20 -0.15 0.00 0.04 0.00 0.00 61.00 62.09 1m4p s PRO 84 Cb 0.00 -3.93 0.19 0.00 0.04 0.00 0.00 34.50 30.80 1m4p s PRO 84 CO 0.00 -1.26 1.18 -1.25 0.04 0.00 0.00 177.00 175.71 1m4p s PRO 85 N 4.42 0.45 -0.13 0.56 0.04 -1.00 -4.67 135.00 134.68 1m4p s PRO 85 Ca 0.59 0.03 -0.03 0.00 0.04 0.00 0.00 61.00 61.63 1m4p s PRO 85 Cb -0.17 -1.78 0.01 0.00 0.04 0.00 0.00 34.50 32.60 1m4p s PRO 85 CO 0.26 -2.62 0.06 -0.89 0.04 0.00 0.00 177.00 173.85 1m4p n ILE 86 N -4.01 -6.97 -3.94 0.56 5.41 -1.26 -3.34 119.36 105.81 1m4p n ILE 86 Ca 0.10 1.28 -0.28 0.00 1.00 0.00 0.00 62.75 64.85 1m4p n ILE 86 Cb 0.59 -4.76 -0.17 0.00 -0.71 0.00 0.00 39.64 34.60 1m4p n ILE 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1m4p s PHE 88 N 1.63 -0.23 0.19 0.00 -0.71 -1.06 -3.33 117.98 114.47 1m4p s PHE 88 Ca 0.04 -0.12 -0.08 0.00 -1.04 0.00 0.00 56.93 55.74 1m4p s PHE 88 Cb -0.13 0.53 -0.07 0.00 -1.21 0.00 0.00 43.02 42.15 1m4p s PHE 88 CO -0.09 -1.01 0.48 0.54 -1.34 0.00 0.00 175.22 173.80 1m4p s VAL 89 N -3.86 5.03 -0.69 -2.49 0.11 0.48 -1.37 120.40 117.61 1m4p s VAL 89 Ca 0.08 0.29 0.05 0.00 -2.93 0.00 0.00 61.98 59.47 1m4p s VAL 89 Cb -0.03 -3.62 0.19 0.00 -1.53 0.00 0.00 36.38 31.39 1m4p s VAL 89 CO -0.02 -0.02 0.54 2.29 -3.33 0.00 0.00 175.10 174.57 1m4p n LYS 90 N -0.03 1.95 -1.54 1.54 -0.00 -1.24 -4.55 118.16 114.28 1m4p n LYS 90 Ca -0.01 -4.51 -0.29 0.00 -0.00 0.00 0.00 58.31 53.51 1m4p n LYS 90 Cb 0.52 -2.27 0.12 0.00 -0.00 0.00 0.00 35.03 33.40 1m4p n LYS 90 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1m4p s PRO 91 N -1.65 1.49 0.00 -1.58 0.04 -1.26 -4.50 135.00 127.54 1m4p s PRO 91 Ca 0.28 0.42 0.00 0.00 0.04 0.00 0.00 61.00 61.74 1m4p s PRO 91 Cb -0.00 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.67 1m4p s PRO 91 CO -0.14 -1.98 0.00 0.25 0.04 0.00 0.00 177.00 175.17 1m4p n THR 92 N -3.64 0.00 0.00 1.26 -2.24 -1.26 -5.06 114.28 103.34 1m4p n THR 92 Ca 0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 1m4p n THR 92 Cb 0.58 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 1m4p n THR 92 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1m4p n SER 93 N 0.00 3.20 0.00 3.42 2.88 -1.26 -4.63 113.62 117.23 1m4p n SER 93 Ca 0.00 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.62 1m4p n SER 93 Cb 0.00 0.00 0.42 0.00 -0.75 0.00 0.00 64.21 63.88 1m4p n SER 93 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1m4p n SER 94 N -2.46 0.00 -2.33 -3.46 2.88 -1.26 -4.74 113.62 102.26 1m4p n SER 94 Ca 0.00 0.05 -0.02 0.00 -1.33 0.00 0.00 58.87 57.56 1m4p n SER 94 Cb 0.45 -0.28 0.02 0.00 -0.75 0.00 0.00 64.21 63.64 1m4p n SER 94 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1m4p n MET 95 N -1.28 -0.56 -3.31 -1.46 2.00 -1.26 -4.64 117.12 106.60 1m4p n MET 95 Ca 0.08 -0.14 -0.10 0.00 0.00 0.00 0.00 57.70 57.54 1m4p n MET 95 Cb 0.13 -0.11 -0.06 0.00 0.00 0.00 0.00 33.22 33.19 1m4p n MET 95 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 1m4p s THR 96 N -1.18 -0.59 0.69 2.03 2.01 -1.21 -4.94 115.64 112.46 1m4p s THR 96 Ca 0.05 -0.46 -0.17 0.00 0.31 0.00 0.00 61.69 61.42 1m4p s THR 96 Cb -0.00 -0.78 0.00 0.00 0.01 0.00 0.00 72.50 71.73 1m4p s THR 96 CO 0.04 -0.34 1.12 0.00 -0.69 0.00 0.00 174.62 174.75 1m4p n ILE 97 N 4.93 3.64 -3.67 1.82 3.06 -1.26 -2.85 119.36 125.02 1m4p n ILE 97 Ca 0.05 -0.41 -0.30 0.00 -2.50 0.00 0.00 62.75 59.59 1m4p n ILE 97 Cb 0.49 -1.26 -0.14 0.00 0.54 0.00 0.00 39.64 39.27 1m4p n ILE 97 CO 0.00 0.00 0.00 -0.75 -2.50 0.00 0.00 176.55 173.30 1m4p s LYS 98 N -3.38 0.89 0.52 9.51 2.36 -1.19 -4.88 119.74 123.56 1m4p s LYS 98 Ca 0.77 -1.46 -0.22 0.00 -2.55 0.00 0.00 55.97 52.52 1m4p s LYS 98 Cb -0.36 -1.97 -0.06 0.00 -1.05 0.00 0.00 37.83 34.39 1m4p s LYS 98 CO 0.46 -1.09 1.23 0.95 1.55 0.00 0.00 175.35 178.45 1m4p s THR 99 N 1.05 2.70 0.00 3.43 -4.23 -1.26 -4.74 115.64 112.58 1m4p s THR 99 Ca 0.14 0.50 0.00 0.00 -1.18 0.00 0.00 61.69 61.15 1m4p s THR 99 Cb -0.21 -3.24 0.00 0.00 1.34 0.00 0.00 72.50 70.39 1m4p s THR 99 CO -0.11 -0.03 0.00 0.61 -0.54 0.00 0.00 174.62 174.55 1m4p n GLY 100 N 0.53 1.91 2.45 3.99 0.00 -0.54 -4.95 105.19 108.58 1m4p n GLY 100 Ca 0.10 -0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.83 1m4p n GLY 100 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1m4p n LYS 101 N 0.00 2.38 0.00 1.61 2.85 -1.26 -4.01 118.16 119.73 1m4p n LYS 101 Ca 0.00 -2.49 0.00 0.00 -1.05 0.00 0.00 58.31 54.77 1m4p n LYS 101 Cb 0.00 -2.09 0.00 0.00 -0.65 0.00 0.00 35.03 32.29 1m4p n LYS 101 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1m4p n HIS 102 N 0.40 -1.87 -4.95 5.58 8.25 -1.26 -4.98 115.22 116.39 1m4p n HIS 102 Ca 0.48 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.61 1m4p n HIS 102 Cb 0.51 0.37 -0.14 0.00 1.12 0.00 0.00 29.99 31.86 1m4p n HIS 102 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1m4p s VAL 103 N -1.85 2.91 -0.03 1.59 1.01 -1.26 -0.21 120.40 122.57 1m4p s VAL 103 Ca 0.00 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.19 1m4p s VAL 103 Cb 0.00 -2.13 -0.00 0.00 0.00 0.00 0.00 36.38 34.25 1m4p s VAL 103 CO 0.00 0.59 -0.02 -0.78 0.00 0.00 0.00 175.10 174.89 1m4p h ASP 104 N 5.39 0.00 0.00 3.32 -0.00 -1.84 -1.43 116.42 121.87 1m4p h ASP 104 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.57 1m4p h ASP 104 Cb 1.15 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.48 1m4p h ASP 104 CO 0.50 0.15 0.00 0.00 -0.00 0.00 0.00 179.24 179.89 1m4p n ALA 105 N -2.39 0.00 -1.70 -0.78 0.00 -1.26 -4.64 120.51 109.74 1m4p n ALA 105 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1m4p n ALA 105 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.48 1m4p n ALA 105 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1m4p n ASN 106 N 0.00 0.00 -2.92 0.00 4.13 -1.26 -4.99 115.26 110.22 1m4p n ASN 106 Ca 0.00 -1.45 -0.22 0.00 1.68 0.00 0.00 54.58 54.60 1m4p n ASN 106 Cb 0.00 -0.09 0.02 0.00 -1.54 0.00 0.00 39.78 38.17 1m4p n ASN 106 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1m4p n GLY 107 N 0.00 -0.51 3.13 7.41 0.00 -1.26 -4.86 105.19 109.10 1m4p n GLY 107 Ca 0.00 0.09 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 1m4p n GLY 107 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1m4p s LYS 108 N -5.59 1.10 0.25 1.61 0.00 -1.26 0.18 119.74 116.03 1m4p s LYS 108 Ca 0.24 -0.60 -0.30 0.00 0.00 0.00 0.00 55.97 55.31 1m4p s LYS 108 Cb -0.11 -1.09 -0.10 0.00 0.00 0.00 0.00 37.83 36.52 1m4p s LYS 108 CO 0.30 0.29 1.50 0.42 0.00 0.00 0.00 175.35 177.86 1m4p s ILE 109 N -0.50 2.50 -0.12 3.79 1.01 -1.21 -4.04 121.20 122.63 1m4p s ILE 109 Ca 0.04 0.41 -0.12 0.00 0.00 0.00 0.00 60.65 60.98 1m4p s ILE 109 Cb -0.06 -3.26 -0.11 0.00 0.01 0.00 0.00 42.46 39.04 1m4p s ILE 109 CO 0.00 0.06 0.28 0.22 0.00 0.00 0.00 174.94 175.50 1m4p h TYR 110 N 5.30 0.00 -1.73 3.97 3.20 -0.95 -3.47 116.97 123.29 1m4p h TYR 110 Ca -0.46 0.00 -0.61 0.00 3.14 0.00 0.00 58.73 60.80 1m4p h TYR 110 Cb 1.22 0.00 0.16 0.00 1.54 0.00 0.00 36.73 39.65 1m4p h TYR 110 CO 0.61 0.44 -0.98 1.28 -1.64 0.00 0.00 178.16 177.86 1m4p n LEU 111 N -4.69 -3.02 0.04 2.82 4.77 -1.26 -4.87 117.00 110.79 1m4p n LEU 111 Ca -0.06 0.77 -0.16 0.00 -0.03 0.00 0.00 56.01 56.53 1m4p n LEU 111 Cb 0.23 -0.87 -0.06 0.00 -2.33 0.00 0.00 43.42 40.39 1m4p n LEU 111 CO 0.14 -4.29 0.19 1.55 -1.33 0.00 0.00 177.39 173.65 1m4p h PRO 112 N 0.25 0.60 0.00 3.23 0.13 -1.90 -3.46 132.00 130.84 1m4p h PRO 112 Ca -0.37 -0.58 0.00 0.00 -0.87 0.00 0.00 66.00 64.17 1m4p h PRO 112 Cb 1.43 0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.71 1m4p h PRO 112 CO 0.45 1.20 0.00 0.66 -0.23 0.00 0.00 178.00 180.08 1m4p n TYR 113 N -3.84 0.00 -0.16 1.56 4.02 -1.26 -2.73 117.16 114.75 1m4p n TYR 113 Ca -0.08 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 57.94 1m4p n TYR 113 Cb 0.82 0.00 0.47 0.00 -0.02 0.00 0.00 39.34 40.60 1m4p n TYR 113 CO 0.00 0.00 0.00 1.37 -1.01 0.00 0.00 176.86 177.22 1m4p h LEU 114 N 0.00 0.45 -3.80 7.72 8.10 -1.95 0.57 115.31 126.40 1m4p h LEU 114 Ca 0.00 0.02 -0.44 0.00 0.11 0.00 0.00 57.88 57.57 1m4p h LEU 114 Cb 0.00 -0.07 -0.26 0.00 -0.44 0.00 0.00 40.66 39.88 1m4p h LEU 114 CO 0.00 0.25 0.56 1.57 -4.11 0.00 0.00 178.44 176.71 1m4p n HIS 115 N -4.49 2.76 0.02 0.17 -0.00 -1.10 -4.02 115.22 108.56 1m4p n HIS 115 Ca 0.13 -1.66 0.00 0.00 0.46 0.00 0.00 57.72 56.65 1m4p n HIS 115 Cb 0.45 -0.86 0.00 0.00 -0.12 0.00 0.00 29.99 29.46 1m4p n HIS 115 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89 1m4p n GLU 116 N -0.90 0.00 0.00 1.57 2.13 0.18 -4.90 120.64 118.71 1m4p n GLU 116 Ca 0.53 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.35 1m4p n GLU 116 Cb 1.55 -0.04 0.00 0.00 0.27 0.00 0.00 31.44 33.22 1m4p n GLU 116 CO 0.00 0.00 0.00 1.87 -0.41 0.00 0.00 177.13 178.59 1m4p n TRP 117 N -2.71 0.00 -4.49 4.31 -0.00 0.20 -4.82 117.44 109.93 1m4p n TRP 117 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.50 57.08 1m4p n TRP 117 Cb 0.00 -0.11 -0.08 0.00 -0.00 0.00 0.00 31.31 31.12 1m4p n TRP 117 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 177.69 178.05 1m4p n LYS 118 N -0.83 -0.73 -0.21 5.87 -0.00 -1.26 -4.75 118.16 116.25 1m4p n LYS 118 Ca 0.00 0.13 0.01 0.00 -0.00 0.00 0.00 58.31 58.46 1m4p n LYS 118 Cb 0.00 -4.57 0.12 0.00 -0.00 0.00 0.00 35.03 30.58 1m4p n LYS 118 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 1m4p h HIS 119 N -0.91 0.34 -0.01 5.58 2.76 -1.93 -3.45 115.15 117.53 1m4p h HIS 119 Ca -0.59 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 57.57 1m4p h HIS 119 Cb 1.37 -0.06 0.00 0.00 1.55 0.00 0.00 27.41 30.27 1m4p h HIS 119 CO 0.69 0.04 -0.15 -1.00 -1.30 0.00 0.00 177.93 176.21 1m4p h PRO 120 N 0.36 0.12 0.00 5.26 0.13 -1.94 -3.49 132.00 132.44 1m4p h PRO 120 Ca 0.33 -0.12 0.00 0.00 -0.87 0.00 0.00 66.00 65.34 1m4p h PRO 120 Cb 0.46 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.62 1m4p h PRO 120 CO -0.36 0.84 0.00 0.94 -0.23 0.00 0.00 178.00 179.19 1m4p n GLN 121 N -4.59 0.00 -1.16 0.86 0.00 -1.26 -4.79 117.38 106.44 1m4p n GLN 121 Ca -0.09 0.00 -0.35 0.00 -0.00 0.00 0.00 57.00 56.56 1m4p n GLN 121 Cb 0.44 0.00 0.10 0.00 0.00 0.00 0.00 30.24 30.78 1m4p n GLN 121 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1m4p n SER 122 N 0.28 -0.43 -4.30 1.69 2.88 -1.26 -5.03 113.62 107.45 1m4p n SER 122 Ca 0.00 0.56 -0.18 0.00 -1.33 0.00 0.00 58.87 57.92 1m4p n SER 122 Cb 0.00 -1.33 -0.10 0.00 -0.75 0.00 0.00 64.21 62.03 1m4p n SER 122 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1m4p s ASP 123 N -1.77 1.48 0.34 -3.46 1.01 -1.26 -4.96 116.67 108.04 1m4p s ASP 123 Ca 0.68 -1.41 0.13 0.00 0.71 0.00 0.00 52.55 52.66 1m4p s ASP 123 Cb -0.31 0.16 1.03 0.00 1.01 0.00 0.00 42.92 44.80 1m4p s ASP 123 CO 0.56 -0.73 1.69 0.25 0.21 0.00 0.00 175.17 177.15 1m4p h LEU 124 N 2.30 0.57 -0.81 1.23 5.85 -1.95 1.46 115.31 123.96 1m4p h LEU 124 Ca -0.38 0.17 -0.05 0.00 0.84 0.00 0.00 57.88 58.46 1m4p h LEU 124 Cb 1.25 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 42.34 1m4p h LEU 124 CO 0.61 -0.05 0.31 -0.07 -0.34 0.00 0.00 178.44 178.91 1m4p h LEU 125 N 0.41 1.10 0.17 2.25 -0.00 -1.95 -2.60 115.31 114.69 1m4p h LEU 125 Ca 0.70 -0.17 -0.01 0.00 -0.00 0.00 0.00 57.88 58.40 1m4p h LEU 125 Cb 1.53 -0.29 0.00 0.00 -0.00 0.00 0.00 40.66 41.91 1m4p h LEU 125 CO -0.55 0.98 -0.08 1.23 -0.00 0.00 0.00 178.44 180.02 1m4p h GLY 126 N 1.17 -0.24 -0.69 0.83 0.00 0.15 -2.04 103.07 102.24 1m4p h GLY 126 Ca 0.27 0.09 0.13 0.00 0.00 0.00 0.00 47.33 47.81 1m4p h GLY 126 CO -0.02 -0.09 -0.37 -2.00 0.00 0.00 0.00 176.54 174.06 1m4p h LEU 127 N -0.55 -1.32 -1.36 3.11 6.46 -0.52 1.60 115.31 122.72 1m4p h LEU 127 Ca -0.02 0.27 0.04 0.00 -0.12 0.00 0.00 57.88 58.05 1m4p h LEU 127 Cb 0.42 0.67 -0.04 0.00 -0.73 0.00 0.00 40.66 40.98 1m4p h LEU 127 CO 0.04 -0.30 0.46 0.40 -0.62 0.00 0.00 178.44 178.42 1m4p h ILE 128 N -0.09 1.08 -0.23 4.05 5.03 -1.44 0.11 117.51 126.02 1m4p h ILE 128 Ca 0.28 -0.28 -0.01 0.00 -0.12 0.00 0.00 64.86 64.73 1m4p h ILE 128 Cb 0.57 0.19 -0.01 0.00 -3.03 0.00 0.00 36.82 34.54 1m4p h ILE 128 CO -0.82 0.15 0.09 -0.61 -0.68 0.00 0.00 178.15 176.28 1m4p h GLN 129 N 0.82 0.35 -0.65 2.37 4.15 0.27 0.32 115.11 122.74 1m4p h GLN 129 Ca 0.29 -0.06 -0.03 0.00 0.77 0.00 0.00 58.65 59.61 1m4p h GLN 129 Cb 0.12 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 27.72 1m4p h GLN 129 CO -0.09 0.40 0.28 0.28 -1.93 0.00 0.00 178.83 177.77 1m4p h VAL 130 N 0.23 1.23 -0.70 2.39 2.07 0.11 -2.19 116.25 119.38 1m4p h VAL 130 Ca 0.08 -0.70 -0.06 0.00 0.82 0.00 0.00 66.70 66.84 1m4p h VAL 130 Cb 0.18 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 1m4p h VAL 130 CO -0.01 0.28 0.20 -0.03 0.02 0.00 0.00 177.57 178.04 1m4p h MET 131 N 0.90 1.10 -0.85 1.57 1.85 -0.53 0.81 114.93 119.78 1m4p h MET 131 Ca 0.22 -0.24 0.06 0.00 -0.61 0.00 0.00 59.70 59.12 1m4p h MET 131 Cb 0.17 -0.15 -0.05 0.00 0.43 0.00 0.00 31.60 31.99 1m4p h MET 131 CO -0.02 0.95 0.56 0.82 -0.40 0.00 0.00 176.91 178.82 1m4p h ILE 132 N 1.04 1.07 0.00 1.77 2.04 0.04 0.75 117.51 124.22 1m4p h ILE 132 Ca 0.22 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 1m4p h ILE 132 Cb 0.32 0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 36.42 1m4p h ILE 132 CO -0.00 0.18 -0.03 0.58 0.00 0.00 0.00 178.15 178.87 1m4p h VAL 133 N 0.97 1.49 -0.43 1.67 2.07 -0.87 -1.11 116.25 120.05 1m4p h VAL 133 Ca 0.36 -2.13 0.09 0.00 0.82 0.00 0.00 66.70 65.84 1m4p h VAL 133 Cb 0.17 2.83 -0.09 0.00 -1.52 0.00 0.00 31.29 32.69 1m4p h VAL 133 CO -0.13 0.51 -0.16 0.58 0.02 0.00 0.00 177.57 178.39 1m4p h VAL 134 N -1.00 0.46 -0.62 2.57 2.07 0.93 0.28 116.25 120.93 1m4p h VAL 134 Ca -0.01 0.00 -0.20 0.00 0.82 0.00 0.00 66.70 67.31 1m4p h VAL 134 Cb 0.85 0.46 -0.12 0.00 -1.52 0.00 0.00 31.29 30.96 1m4p h VAL 134 CO -0.01 0.00 0.26 0.49 0.02 0.00 0.00 177.57 178.33 1m4p n PHE 135 N -5.36 2.05 0.24 1.57 3.01 0.26 -3.83 117.46 115.40 1m4p n PHE 135 Ca 0.03 -1.07 0.02 0.00 1.01 0.00 0.00 57.45 57.45 1m4p n PHE 135 Cb 0.27 -0.62 -0.02 0.00 -0.01 0.00 0.00 39.48 39.10 1m4p n PHE 135 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1m4p n GLY 136 N -0.14 0.41 0.37 1.37 0.00 0.92 -4.73 105.19 103.38 1m4p n GLY 136 Ca 0.35 -0.14 -0.16 0.00 0.00 0.00 0.00 46.02 46.06 1m4p n GLY 136 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1m4p n ASP 137 N -1.00 1.53 -4.87 1.61 9.92 -0.90 -4.67 116.55 118.18 1m4p n ASP 137 Ca 0.01 0.26 -0.31 0.00 -0.53 0.00 0.00 54.79 54.22 1m4p n ASP 137 Cb 0.08 -0.61 -0.05 0.00 -0.64 0.00 0.00 41.12 39.91 1m4p n ASP 137 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1m4p s GLU 138 N -2.48 3.24 -0.34 -1.24 8.01 -1.25 -5.01 118.70 119.62 1m4p s GLU 138 Ca -0.26 -0.52 -0.29 0.00 0.01 0.00 0.00 54.97 53.91 1m4p s GLU 138 Cb 0.08 -2.93 0.00 0.00 -4.31 0.00 0.00 34.13 26.97 1m4p s GLU 138 CO 0.34 0.60 1.37 -1.25 0.01 0.00 0.00 175.26 176.33 1m4p s PRO 139 N -2.44 3.76 0.28 0.39 0.04 -1.26 -4.67 135.00 131.10 1m4p s PRO 139 Ca 0.33 1.14 0.13 0.00 0.04 0.00 0.00 61.00 62.64 1m4p s PRO 139 Cb -0.13 -3.95 0.31 0.00 0.04 0.00 0.00 34.50 30.77 1m4p s PRO 139 CO 0.26 -1.32 1.56 -1.00 0.04 0.00 0.00 177.00 176.53 1m4p h PRO 140 N 10.00 0.00 0.00 0.56 0.13 -1.86 -3.39 132.00 137.44 1m4p h PRO 140 Ca -0.27 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.71 1m4p h PRO 140 Cb 1.10 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.11 1m4p h PRO 140 CO 1.05 0.59 -0.11 1.55 -0.23 0.00 0.00 178.00 180.85 1m4p n VAL 141 N -3.53 0.00 -1.86 1.56 3.14 -1.26 -3.19 118.33 113.18 1m4p n VAL 141 Ca -0.00 -0.94 -0.42 0.00 -2.96 0.00 0.00 64.34 60.02 1m4p n VAL 141 Cb 0.66 1.22 -0.03 0.00 -1.06 0.00 0.00 33.84 34.64 1m4p n VAL 141 CO 0.00 0.00 0.00 0.72 -6.46 0.00 0.00 176.83 171.09 1m4p s PHE 142 N 0.15 2.97 0.39 1.45 -0.71 -1.13 -4.28 117.98 116.82 1m4p s PHE 142 Ca 0.22 0.61 0.01 0.00 -1.04 0.00 0.00 56.93 56.73 1m4p s PHE 142 Cb 0.28 -4.00 -0.01 0.00 -1.21 0.00 0.00 43.02 38.08 1m4p s PHE 142 CO -0.15 -3.62 0.59 0.45 -1.34 0.00 0.00 175.22 171.16 1m4p s SER 143 N 0.98 6.02 0.53 1.98 0.15 -1.26 -3.33 113.70 118.77 1m4p s SER 143 Ca 0.69 0.27 0.00 0.00 0.70 0.00 0.00 55.95 57.61 1m4p s SER 143 Cb -0.46 -1.67 0.00 0.00 -1.71 0.00 0.00 66.02 62.18 1m4p s SER 143 CO 0.35 -0.51 0.00 0.54 1.20 0.00 0.00 173.24 174.82 1m4p n ARG 144 N -1.90 -2.89 0.00 5.44 1.74 -1.26 -4.98 116.66 112.81 1m4p n ARG 144 Ca -0.01 2.35 0.12 0.00 -0.77 0.00 0.00 57.85 59.54 1m4p n ARG 144 Cb 0.57 -3.46 0.71 0.00 -1.02 0.00 0.00 32.46 29.27 1m4p n ARG 144 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76