#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m4p n VAL 3 N 0.00 0.26 0.08 0.00 0.31 -1.26 -4.31 118.33 113.41 1m4p n VAL 3 Ca 0.00 -0.48 0.05 0.00 -0.01 0.00 0.00 64.34 63.89 1m4p n VAL 3 Cb 0.00 -0.06 -0.03 0.00 -0.91 0.00 0.00 33.84 32.84 1m4p n VAL 3 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 1m4p h SER 4 N 0.00 0.00 -1.76 4.52 0.87 -2.01 -3.35 113.55 111.82 1m4p h SER 4 Ca -0.10 0.00 0.53 0.00 -1.23 0.00 0.00 61.79 60.98 1m4p h SER 4 Cb 1.11 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 62.98 1m4p h SER 4 CO 0.01 0.35 1.25 -1.84 -0.53 0.00 0.00 176.83 176.07 1m4p n GLU 5 N -2.87 -0.01 0.28 2.24 -0.00 -1.26 0.14 120.64 119.17 1m4p n GLU 5 Ca -0.05 1.06 -0.16 0.00 -0.00 0.00 0.00 57.16 58.01 1m4p n GLU 5 Cb 0.72 -2.36 -0.08 0.00 -0.00 0.00 0.00 31.44 29.72 1m4p n GLU 5 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 1m4p h SER 6 N 0.00 -0.57 -0.36 -1.84 0.87 -1.86 0.16 113.55 109.94 1m4p h SER 6 Ca 0.88 -0.02 -0.09 0.00 -1.23 0.00 0.00 61.79 61.33 1m4p h SER 6 Cb 3.40 0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 65.49 1m4p h SER 6 CO -0.10 -0.34 -0.08 -0.61 -0.53 0.00 0.00 176.83 175.17 1m4p h GLN 7 N -0.76 0.78 0.41 2.24 4.15 0.10 -3.01 115.11 119.02 1m4p h GLN 7 Ca -0.07 -0.24 -0.01 0.00 0.77 0.00 0.00 58.65 59.10 1m4p h GLN 7 Cb 0.56 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.15 1m4p h GLN 7 CO 0.11 0.84 -0.40 -0.07 -1.93 0.00 0.00 178.83 177.38 1m4p h LEU 8 N 0.71 -1.08 -1.77 -2.39 4.07 -0.70 0.28 115.31 114.43 1m4p h LEU 8 Ca 0.13 0.09 0.22 0.00 0.08 0.00 0.00 57.88 58.40 1m4p h LEU 8 Cb 0.55 0.36 -0.03 0.00 1.08 0.00 0.00 40.66 42.62 1m4p h LEU 8 CO 0.03 -0.55 0.73 0.50 -1.08 0.00 0.00 178.44 178.07 1m4p h LYS 9 N -0.83 0.00 0.06 1.13 3.11 -0.88 1.96 116.57 121.12 1m4p h LYS 9 Ca -0.04 0.00 -0.26 0.00 -2.81 0.00 0.00 60.65 57.55 1m4p h LYS 9 Cb 0.73 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.95 1m4p h LYS 9 CO -0.06 0.00 -1.24 0.87 -2.81 0.00 0.00 179.45 176.21 1m4p h LYS 10 N 0.00 0.13 0.00 1.90 1.57 -0.71 -2.02 116.57 117.44 1m4p h LYS 10 Ca 0.36 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1m4p h LYS 10 Cb 1.82 0.08 0.00 0.00 0.08 0.00 0.00 32.23 34.22 1m4p h LYS 10 CO -0.00 1.04 0.00 -1.33 -0.57 0.00 0.00 179.45 178.59 1m4p n MET 11 N -3.40 0.06 0.00 3.15 2.81 0.65 -4.50 117.12 115.89 1m4p n MET 11 Ca -0.07 0.21 0.00 0.00 -1.81 0.00 0.00 57.70 56.03 1m4p n MET 11 Cb 1.00 -1.59 0.00 0.00 -0.71 0.00 0.00 33.22 31.91 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 -1.70 0.00 0.00 2.03 0.24 -0.28 -4.87 118.33 113.75 1m4p n VAL 12 Ca 0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.34 1m4p n VAL 12 Cb 0.25 -0.08 0.00 0.00 -1.47 0.00 0.00 33.84 32.53 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 -3.32 -1.34 2.88 -0.76 -4.58 113.62 106.50 1m4p n SER 13 Ca 0.00 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.28 1m4p n SER 13 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 1m4p n SER 13 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1m4p n LYS 14 N 0.00 2.12 -3.65 -1.46 4.76 -1.26 -4.35 118.16 114.31 1m4p n LYS 14 Ca 0.00 -4.32 -0.05 0.00 -2.87 0.00 0.00 58.31 51.07 1m4p n LYS 14 Cb 0.00 -2.00 -0.07 0.00 -1.84 0.00 0.00 35.03 31.12 1m4p n LYS 14 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 1m4p s TYR 15 N -2.25 -1.05 -0.66 2.13 6.14 -1.26 -4.89 117.35 115.49 1m4p s TYR 15 Ca 0.39 1.90 -0.06 0.00 0.64 0.00 0.00 57.07 59.95 1m4p s TYR 15 Cb 0.17 0.54 0.06 0.00 0.42 0.00 0.00 41.96 43.14 1m4p s TYR 15 CO -0.04 -0.57 0.18 1.17 0.64 0.00 0.00 175.55 176.93 1m4p n LYS 16 N 5.41 -2.53 -2.91 4.97 4.81 0.45 -2.31 118.16 126.05 1m4p n LYS 16 Ca -0.10 0.17 -0.07 0.00 -0.87 0.00 0.00 58.31 57.44 1m4p n LYS 16 Cb 0.49 -4.72 0.01 0.00 0.02 0.00 0.00 35.03 30.83 1m4p n LYS 16 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1m4p n TYR 17 N -3.10 -3.16 -0.56 5.64 4.01 -1.26 -3.44 117.16 115.29 1m4p n TYR 17 Ca 0.00 1.35 0.45 0.00 -0.16 0.00 0.00 57.90 59.54 1m4p n TYR 17 Cb 0.51 -3.39 0.76 0.00 -0.31 0.00 0.00 39.34 36.91 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 2.71 0.02 -0.14 -0.72 0.11 -1.66 1.88 114.38 116.58 1m4p h ARG 18 Ca -0.06 -0.00 -0.04 0.00 0.10 0.00 0.00 59.98 59.98 1m4p h ARG 18 Cb 0.60 -0.01 -0.00 0.00 1.11 0.00 0.00 29.97 31.68 1m4p h ARG 18 CO 0.13 0.02 -0.07 0.22 0.10 0.00 0.00 179.97 180.37 1m4p h ASP 19 N 0.03 0.31 0.52 0.08 3.58 -1.89 1.39 116.42 120.43 1m4p h ASP 19 Ca 0.83 -0.41 -0.16 0.00 0.42 0.00 0.00 57.03 57.72 1m4p h ASP 19 Cb 3.15 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 44.10 1m4p h ASP 19 CO -0.12 0.65 -0.69 -0.07 -2.88 0.00 0.00 179.24 176.13 1m4p h LEU 20 N -0.04 0.18 0.24 2.28 -0.00 0.21 -1.95 115.31 116.23 1m4p h LEU 20 Ca 0.03 -0.12 -0.01 0.00 -0.00 0.00 0.00 57.88 57.78 1m4p h LEU 20 Cb 0.53 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 41.14 1m4p h LEU 20 CO 0.02 0.81 -0.11 0.74 -0.00 0.00 0.00 178.44 179.90 1m4p h THR 21 N 0.10 0.12 -0.95 0.22 2.02 0.14 -1.31 112.91 113.25 1m4p h THR 21 Ca -0.02 -0.82 0.22 0.00 0.77 0.00 0.00 66.41 66.56 1m4p h THR 21 Cb 1.23 0.21 -0.07 0.00 -1.74 0.00 0.00 68.15 67.78 1m4p h THR 21 CO 0.10 0.03 0.62 0.58 0.37 0.00 0.00 175.52 177.23 1m4p h VAL 22 N -1.07 0.64 -0.16 3.16 2.07 0.18 1.71 116.25 122.79 1m4p h VAL 22 Ca -0.03 -0.14 -0.17 0.00 0.82 0.00 0.00 66.70 67.18 1m4p h VAL 22 Cb 0.30 0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 30.26 1m4p h VAL 22 CO 0.05 0.08 -0.60 -0.09 0.02 0.00 0.00 177.57 177.03 1m4p h ARG 23 N 0.42 0.53 0.11 1.57 9.65 -1.39 -0.43 114.38 124.83 1m4p h ARG 23 Ca 0.50 -0.36 -0.30 0.00 -1.10 0.00 0.00 59.98 58.73 1m4p h ARG 23 Cb 1.25 0.05 0.03 0.00 -1.39 0.00 0.00 29.97 29.91 1m4p h ARG 23 CO -0.21 0.97 -1.22 0.93 2.80 0.00 0.00 179.97 183.24 1m4p h GLU 24 N 0.39 0.64 0.19 0.20 3.07 0.13 -2.22 114.58 116.98 1m4p h GLU 24 Ca -0.00 -0.83 -0.01 0.00 -0.50 0.00 0.00 59.36 58.02 1m4p h GLU 24 Cb 1.16 0.27 0.00 0.00 -0.84 0.00 0.00 28.75 29.34 1m4p h GLU 24 CO 0.11 1.38 -0.09 1.15 -1.40 0.00 0.00 179.01 180.16 1m4p h THR 25 N 0.28 0.90 -0.66 1.13 2.02 0.22 -0.10 112.91 116.71 1m4p h THR 25 Ca -0.18 -0.46 0.04 0.00 0.77 0.00 0.00 66.41 66.58 1m4p h THR 25 Cb 1.89 1.18 -0.05 0.00 -1.74 0.00 0.00 68.15 69.43 1m4p h THR 25 CO 0.23 0.11 0.40 -0.37 0.37 0.00 0.00 175.52 176.26 1m4p h VAL 26 N -0.48 1.05 -0.89 3.16 -1.51 -1.18 -0.36 116.25 116.03 1m4p h VAL 26 Ca -0.03 -0.26 0.04 0.00 -1.23 0.00 0.00 66.70 65.23 1m4p h VAL 26 Cb 0.36 0.21 -0.06 0.00 -2.13 0.00 0.00 31.29 29.68 1m4p h VAL 26 CO 0.04 0.14 0.57 0.78 -1.23 0.00 0.00 177.57 177.87 1m4p h ASN 27 N 0.77 0.94 0.37 4.19 4.21 -1.25 1.06 115.58 125.86 1m4p h ASN 27 Ca 0.28 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.77 1m4p h ASN 27 Cb 0.07 -0.20 0.00 0.00 -1.12 0.00 0.00 38.32 37.08 1m4p h ASN 27 CO -0.13 0.63 -0.18 0.58 -1.29 0.00 0.00 177.43 177.04 1m4p h VAL 28 N 1.09 0.00 -0.29 2.81 2.07 0.35 0.05 116.25 122.32 1m4p h VAL 28 Ca 0.37 -0.01 0.08 0.00 0.82 0.00 0.00 66.70 67.96 1m4p h VAL 28 Cb 0.06 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.82 1m4p h VAL 28 CO -0.14 0.00 0.29 0.16 0.02 0.00 0.00 177.57 177.90 1m4p h ILE 29 N -0.51 0.51 0.00 4.57 3.07 -0.97 0.73 117.51 124.91 1m4p h ILE 29 Ca -0.05 0.00 -0.07 0.00 1.55 0.00 0.00 64.86 66.29 1m4p h ILE 29 Cb 0.38 0.78 -0.01 0.00 -0.27 0.00 0.00 36.82 37.69 1m4p h ILE 29 CO 0.08 0.00 -0.32 0.74 -1.05 0.00 0.00 178.15 177.60 1m4p h THR 30 N 0.00 0.83 0.03 0.16 2.02 0.17 1.36 112.91 117.47 1m4p h THR 30 Ca 0.14 -1.31 -0.22 0.00 0.77 0.00 0.00 66.41 65.80 1m4p h THR 30 Cb 0.71 1.80 -0.02 0.00 -1.74 0.00 0.00 68.15 68.90 1m4p h THR 30 CO -0.00 0.31 -1.17 0.25 0.37 0.00 0.00 175.52 175.28 1m4p h LEU 31 N 0.00 0.09 0.00 2.58 5.85 0.24 -3.43 115.31 120.63 1m4p h LEU 31 Ca -0.00 -0.66 0.00 0.00 0.84 0.00 0.00 57.88 58.05 1m4p h LEU 31 Cb 0.78 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.78 1m4p h LEU 31 CO 0.04 1.47 -0.54 -1.22 -0.34 0.00 0.00 178.44 177.86 1m4p n TYR 32 N -4.31 0.50 -0.80 1.25 4.01 0.09 -4.98 117.16 112.92 1m4p n TYR 32 Ca -0.28 0.22 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 1m4p n TYR 32 Cb 0.72 -0.58 0.00 0.00 -0.31 0.00 0.00 39.34 39.16 1m4p n TYR 32 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1m4p n LYS 33 N -4.12 0.00 -0.02 -0.72 4.81 0.47 -4.84 118.16 113.73 1m4p n LYS 33 Ca -0.08 0.00 0.06 0.00 -0.87 0.00 0.00 58.31 57.42 1m4p n LYS 33 Cb 0.28 -2.25 -0.12 0.00 0.02 0.00 0.00 35.03 32.96 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 1.32 -4.83 3.14 8.00 -1.26 -4.98 116.55 117.94 1m4p n ASP 34 Ca 0.00 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.18 1m4p n ASP 34 Cb 0.00 1.61 -0.04 0.00 -0.02 0.00 0.00 41.12 42.66 1m4p n ASP 34 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1m4p s LEU 35 N -4.27 3.72 -0.10 0.64 1.02 -1.26 -3.79 118.68 114.65 1m4p s LEU 35 Ca -0.06 1.62 0.00 0.00 0.02 0.00 0.00 54.13 55.71 1m4p s LEU 35 Cb 0.09 -4.52 0.02 0.00 0.02 0.00 0.00 46.19 41.81 1m4p s LEU 35 CO 0.66 -0.55 -0.08 -0.75 0.02 0.00 0.00 176.35 175.65 1m4p s LYS 36 N -3.79 1.49 -0.18 1.70 2.20 0.49 -4.84 119.74 116.81 1m4p s LYS 36 Ca 0.60 -0.27 -0.29 0.00 -0.36 0.00 0.00 55.97 55.65 1m4p s LYS 36 Cb -0.10 -1.47 -0.01 0.00 -1.51 0.00 0.00 37.83 34.73 1m4p s LYS 36 CO 0.26 -0.18 1.28 -1.25 -0.36 0.00 0.00 175.35 175.10 1m4p s PRO 37 N 1.41 4.19 0.33 4.03 0.04 -1.26 -2.01 135.00 141.73 1m4p s PRO 37 Ca -0.01 1.63 0.10 0.00 0.04 0.00 0.00 61.00 62.76 1m4p s PRO 37 Cb -0.13 -3.79 -0.06 0.00 0.04 0.00 0.00 34.50 30.56 1m4p s PRO 37 CO -0.05 -0.77 -0.09 0.54 0.04 0.00 0.00 177.00 176.68 1m4p s VAL 38 N 3.64 2.39 0.40 -0.36 0.11 0.05 -5.01 120.40 121.63 1m4p s VAL 38 Ca 0.56 -2.19 0.05 0.00 -2.93 0.00 0.00 61.98 57.47 1m4p s VAL 38 Cb -0.21 -2.62 -0.02 0.00 -1.53 0.00 0.00 36.38 31.99 1m4p s VAL 38 CO 0.16 -0.24 0.17 -0.22 -3.33 0.00 0.00 175.10 171.64 1m4p s LEU 39 N -3.62 1.93 -0.29 2.54 0.20 -1.26 -0.51 118.68 117.67 1m4p s LEU 39 Ca 0.32 -1.73 -0.30 0.00 0.69 0.00 0.00 54.13 53.12 1m4p s LEU 39 Cb 0.00 0.07 0.19 0.00 -0.43 0.00 0.00 46.19 46.03 1m4p s LEU 39 CO 0.17 -0.99 1.37 1.51 -0.29 0.00 0.00 176.35 178.11 1m4p s ASP 40 N -3.57 -0.03 -0.32 3.68 3.84 -0.19 -4.82 116.67 115.26 1m4p s ASP 40 Ca 0.27 0.03 0.01 0.00 -0.00 0.00 0.00 52.55 52.85 1m4p s ASP 40 Cb 0.02 0.03 0.07 0.00 -1.38 0.00 0.00 42.92 41.66 1m4p s ASP 40 CO 0.18 -0.03 0.01 -0.94 -0.00 0.00 0.00 175.17 174.39 1m4p s SER 41 N -1.09 4.80 0.11 2.11 1.04 -1.26 -0.01 113.70 119.40 1m4p s SER 41 Ca 0.09 -1.65 0.10 0.00 0.48 0.00 0.00 55.95 54.98 1m4p s SER 41 Cb -0.01 -1.67 -0.04 0.00 0.10 0.00 0.00 66.02 64.41 1m4p s SER 41 CO -0.08 -0.32 -0.24 -0.47 0.98 0.00 0.00 173.24 173.12 1m4p s TYR 42 N 1.11 2.39 0.26 5.02 6.14 -0.32 -4.68 117.35 127.27 1m4p s TYR 42 Ca -0.00 -0.34 -0.29 0.00 0.64 0.00 0.00 57.07 57.07 1m4p s TYR 42 Cb -0.20 -1.30 -0.09 0.00 0.42 0.00 0.00 41.96 40.79 1m4p s TYR 42 CO -0.04 0.33 0.97 0.14 0.64 0.00 0.00 175.55 177.59 1m4p s VAL 43 N -1.06 3.96 0.35 3.14 -7.23 -1.26 0.11 120.40 118.41 1m4p s VAL 43 Ca 0.15 1.93 0.00 0.00 -1.81 0.00 0.00 61.98 62.25 1m4p s VAL 43 Cb -0.10 -4.21 0.00 0.00 0.56 0.00 0.00 36.38 32.63 1m4p s VAL 43 CO 0.07 0.42 0.00 0.49 -0.31 0.00 0.00 175.10 175.77 1m4p n PHE 44 N 1.30 -3.26 -1.54 2.82 3.72 -0.84 -4.68 117.46 114.98 1m4p n PHE 44 Ca -0.01 0.82 -0.24 0.00 -0.05 0.00 0.00 57.45 57.97 1m4p n PHE 44 Cb 0.47 1.67 -0.08 0.00 -0.94 0.00 0.00 39.48 40.60 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 -3.47 1.44 -2.22 4.37 4.13 -1.25 -2.24 115.26 116.02 1m4p n ASN 45 Ca 0.00 -0.91 -0.03 0.00 1.68 0.00 0.00 54.58 55.32 1m4p n ASN 45 Cb 0.00 -1.43 -0.00 0.00 -1.54 0.00 0.00 39.78 36.80 1m4p n ASN 45 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1m4p n ASP 46 N 15.48 -1.58 -0.74 6.41 -0.08 -1.26 -1.42 116.55 133.37 1m4p n ASP 46 Ca 0.48 0.36 0.00 0.00 -1.51 0.00 0.00 54.79 54.12 1m4p n ASP 46 Cb 0.40 -1.52 0.00 0.00 2.34 0.00 0.00 41.12 42.34 1m4p n ASP 46 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1m4p n GLY 47 N -0.48 0.67 2.67 0.27 0.00 -0.95 -5.11 105.19 102.26 1m4p n GLY 47 Ca -0.04 -0.53 -0.21 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.31 1.47 0.17 1.61 0.15 -0.51 -4.80 113.70 109.48 1m4p s SER 48 Ca 0.00 -0.11 -0.30 0.00 0.70 0.00 0.00 55.95 56.24 1m4p s SER 48 Cb 0.00 -0.13 -0.17 0.00 -1.71 0.00 0.00 66.02 64.01 1m4p s SER 48 CO 0.00 -0.28 0.62 -1.54 1.20 0.00 0.00 173.24 173.24 1m4p n SER 49 N 5.30 -0.97 -3.79 5.45 3.41 -1.26 -2.00 113.62 119.76 1m4p n SER 49 Ca -0.04 1.14 -0.13 0.00 -0.26 0.00 0.00 58.87 59.57 1m4p n SER 49 Cb 0.50 -0.96 -0.13 0.00 -0.26 0.00 0.00 64.21 63.36 1m4p n SER 49 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1m4p s ARG 50 N -0.85 0.13 -0.47 4.33 3.52 0.30 -4.83 118.95 121.08 1m4p s ARG 50 Ca 0.68 0.28 -0.29 0.00 -0.13 0.00 0.00 55.73 56.27 1m4p s ARG 50 Cb -0.98 -0.04 0.01 0.00 -1.56 0.00 0.00 34.95 32.39 1m4p s ARG 50 CO 0.56 -0.08 1.36 -1.21 -0.81 0.00 0.00 175.30 175.12 1m4p s GLU 51 N 0.57 3.51 -0.03 5.12 8.01 -1.26 -1.18 118.70 133.44 1m4p s GLU 51 Ca -0.04 0.71 0.07 0.00 0.01 0.00 0.00 54.97 55.72 1m4p s GLU 51 Cb -0.06 -4.04 -0.02 0.00 -4.31 0.00 0.00 34.13 25.70 1m4p s GLU 51 CO -0.03 -1.65 -0.22 -1.17 0.01 0.00 0.00 175.26 172.20 1m4p s LEU 52 N 5.46 2.28 -0.12 1.80 0.20 0.98 -4.99 118.68 124.29 1m4p s LEU 52 Ca 0.56 -0.38 -0.06 0.00 0.69 0.00 0.00 54.13 54.94 1m4p s LEU 52 Cb -0.11 -1.41 -0.04 0.00 -0.43 0.00 0.00 46.19 44.20 1m4p s LEU 52 CO 0.30 0.33 0.10 -0.04 -0.29 0.00 0.00 176.35 176.75 1m4p s MET 53 N -0.66 3.41 0.17 1.98 -1.94 -1.26 -1.02 119.30 119.97 1m4p s MET 53 Ca 0.11 -0.22 0.03 0.00 -1.71 0.00 0.00 55.69 53.90 1m4p s MET 53 Cb -0.10 -3.11 -0.05 0.00 2.01 0.00 0.00 34.83 33.59 1m4p s MET 53 CO -0.00 0.70 -0.04 0.54 -0.01 0.00 0.00 175.02 176.20 1m4p s ASN 54 N -0.81 1.58 0.17 3.03 4.22 0.33 -1.68 114.94 121.77 1m4p s ASN 54 Ca 0.13 -1.11 0.11 0.00 -2.14 0.00 0.00 52.86 49.85 1m4p s ASN 54 Cb -0.12 0.04 -0.04 0.00 1.28 0.00 0.00 41.25 42.41 1m4p s ASN 54 CO 0.03 -0.46 -0.23 -0.76 -2.04 0.00 0.00 177.10 173.64 1m4p s LEU 55 N -3.19 2.47 0.23 3.54 2.01 0.25 -0.77 118.68 123.21 1m4p s LEU 55 Ca 0.21 -0.80 -0.22 0.00 0.01 0.00 0.00 54.13 53.34 1m4p s LEU 55 Cb 0.05 -1.24 0.04 0.00 0.01 0.00 0.00 46.19 45.04 1m4p s LEU 55 CO 0.03 0.14 0.69 0.28 1.01 0.00 0.00 176.35 178.50 1m4p s THR 56 N -1.49 0.00 -3.70 5.49 -1.32 -0.85 -1.70 115.64 112.06 1m4p s THR 56 Ca 0.19 -0.64 0.00 0.00 -1.21 0.00 0.00 61.69 60.04 1m4p s THR 56 Cb -0.09 -1.65 0.00 0.00 -1.51 0.00 0.00 72.50 69.25 1m4p s THR 56 CO 0.09 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.11 1m4p n GLY 57 N -0.43 0.97 3.25 6.08 0.00 -1.21 0.18 105.19 114.04 1m4p n GLY 57 Ca -0.08 -2.05 -0.34 0.00 0.00 0.00 0.00 46.02 43.55 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 -1.05 2.96 0.12 2.61 -4.23 -1.25 -1.55 115.64 113.25 1m4p s THR 58 Ca 0.00 -0.64 -0.17 0.00 -1.18 0.00 0.00 61.69 59.70 1m4p s THR 58 Cb 0.00 -2.32 -0.07 0.00 1.34 0.00 0.00 72.50 71.45 1m4p s THR 58 CO 0.00 0.46 0.58 -0.63 -0.54 0.00 0.00 174.62 174.50 1m4p s ILE 59 N 1.37 4.76 -0.85 2.99 1.01 0.17 -4.61 121.20 126.04 1m4p s ILE 59 Ca 0.05 1.08 -0.25 0.00 0.00 0.00 0.00 60.65 61.53 1m4p s ILE 59 Cb -0.14 -3.83 0.00 0.00 0.01 0.00 0.00 42.46 38.50 1m4p s ILE 59 CO -0.06 0.39 1.64 -2.16 0.00 0.00 0.00 174.94 174.74 1m4p s PRO 60 N -1.56 3.02 -0.35 2.79 0.04 -1.26 -0.10 135.00 137.59 1m4p s PRO 60 Ca 0.34 -0.35 -0.27 0.00 0.04 0.00 0.00 61.00 60.76 1m4p s PRO 60 Cb -0.17 -4.83 0.02 0.00 0.04 0.00 0.00 34.50 29.55 1m4p s PRO 60 CO 0.19 -2.63 0.99 0.08 0.04 0.00 0.00 177.00 175.67 1m4p s VAL 61 N 7.40 4.54 0.59 -0.36 1.01 0.21 -4.84 120.40 128.95 1m4p s VAL 61 Ca 0.55 1.41 -0.15 0.00 0.00 0.00 0.00 61.98 63.78 1m4p s VAL 61 Cb -0.06 -4.37 -0.04 0.00 0.00 0.00 0.00 36.38 31.91 1m4p s VAL 61 CO 0.04 -0.52 1.05 -2.16 0.00 0.00 0.00 175.10 173.50 1m4p s PRO 62 N 3.57 3.37 0.00 2.72 0.04 -1.26 -0.21 135.00 143.24 1m4p s PRO 62 Ca 0.41 1.16 0.00 0.00 0.04 0.00 0.00 61.00 62.61 1m4p s PRO 62 Cb -0.12 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.38 1m4p s PRO 62 CO 0.18 -0.76 0.00 0.98 0.04 0.00 0.00 177.00 177.43 1m4p n TYR 63 N -2.05 0.00 -1.78 0.56 9.36 0.51 -4.75 117.16 119.01 1m4p n TYR 63 Ca 0.08 0.00 -0.33 0.00 3.32 0.00 0.00 57.90 60.97 1m4p n TYR 63 Cb 0.53 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 39.22 1m4p n TYR 63 CO 0.00 0.00 0.00 -2.13 0.22 0.00 0.00 176.86 174.95 1m4p n ARG 64 N 0.00 3.22 0.00 2.98 0.00 -1.26 -4.23 116.66 117.37 1m4p n ARG 64 Ca 0.00 -3.00 0.00 0.00 -0.00 0.00 0.00 57.85 54.85 1m4p n ARG 64 Cb 0.00 -2.30 0.00 0.00 0.00 0.00 0.00 32.46 30.16 1m4p n ARG 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1m4p n GLY 65 N 0.74 1.59 3.46 5.14 0.00 -1.26 -5.12 105.19 109.74 1m4p n GLY 65 Ca 0.53 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.41 1m4p n GLY 65 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1m4p s ASN 66 N -2.00 0.67 -0.28 1.61 -0.87 -1.26 -5.15 114.94 107.65 1m4p s ASN 66 Ca 0.00 -1.38 -0.00 0.00 -1.57 0.00 0.00 52.86 49.91 1m4p s ASN 66 Cb 0.00 0.61 0.17 0.00 -0.02 0.00 0.00 41.25 42.01 1m4p s ASN 66 CO 0.00 -1.20 0.51 -0.89 -2.57 0.00 0.00 177.10 172.95 1m4p s THR 67 N -3.40 -0.84 0.34 1.60 2.01 -1.26 0.19 115.64 114.28 1m4p s THR 67 Ca 0.31 -0.05 0.02 0.00 0.31 0.00 0.00 61.69 62.27 1m4p s THR 67 Cb 0.01 -0.94 0.06 0.00 0.01 0.00 0.00 72.50 71.64 1m4p s THR 67 CO 0.17 -0.07 0.47 -1.22 -0.69 0.00 0.00 174.62 173.28 1m4p n TYR 68 N 5.40 -2.95 -4.28 4.92 4.02 0.71 -4.79 117.16 120.19 1m4p n TYR 68 Ca -0.01 -0.97 -0.33 0.00 -0.01 0.00 0.00 57.90 56.58 1m4p n TYR 68 Cb 0.51 -0.33 -0.16 0.00 -0.02 0.00 0.00 39.34 39.34 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 -2.97 3.42 -0.14 7.72 0.01 -1.26 0.63 114.94 122.35 1m4p s ASN 69 Ca 0.33 -0.56 0.01 0.00 -0.71 0.00 0.00 52.86 51.92 1m4p s ASN 69 Cb -0.02 -1.53 -0.01 0.00 0.41 0.00 0.00 41.25 40.10 1m4p s ASN 69 CO 0.21 0.03 -0.16 -0.51 -1.51 0.00 0.00 177.10 175.16 1m4p s ILE 70 N 1.13 2.67 0.58 0.60 1.10 0.86 -4.85 121.20 123.29 1m4p s ILE 70 Ca 0.01 -0.78 -0.16 0.00 -0.51 0.00 0.00 60.65 59.20 1m4p s ILE 70 Cb -0.14 -2.11 -0.04 0.00 0.15 0.00 0.00 42.46 40.32 1m4p s ILE 70 CO -0.07 0.53 1.05 -2.16 -2.11 0.00 0.00 174.94 172.18 1m4p s PRO 71 N 0.58 3.40 -0.09 3.50 0.04 -1.26 0.44 135.00 141.61 1m4p s PRO 71 Ca -0.10 1.17 -0.26 0.00 0.04 0.00 0.00 61.00 61.86 1m4p s PRO 71 Cb -0.16 -2.05 0.06 0.00 0.04 0.00 0.00 34.50 32.39 1m4p s PRO 71 CO 0.03 -0.75 0.60 0.42 0.04 0.00 0.00 177.00 177.35 1m4p s ILE 72 N -2.48 0.01 -0.06 0.56 1.01 -0.59 -3.49 121.20 116.16 1m4p s ILE 72 Ca 0.63 -0.09 0.03 0.00 0.00 0.00 0.00 60.65 61.22 1m4p s ILE 72 Cb -0.15 -0.90 0.01 0.00 0.01 0.00 0.00 42.46 41.43 1m4p s ILE 72 CO 0.36 -0.05 -0.13 0.00 0.00 0.00 0.00 174.94 175.12 1m4p s LEU 74 N 0.47 1.85 -0.58 0.00 2.01 -0.69 -2.61 118.68 119.13 1m4p s LEU 74 Ca -0.11 -0.38 -0.13 0.00 0.01 0.00 0.00 54.13 53.52 1m4p s LEU 74 Cb -0.14 -1.02 0.14 0.00 0.01 0.00 0.00 46.19 45.18 1m4p s LEU 74 CO 0.03 0.11 0.50 0.26 1.01 0.00 0.00 176.35 178.26 1m4p s TRP 75 N 0.35 3.41 0.17 0.29 0.23 -1.07 -0.58 118.94 121.74 1m4p s TRP 75 Ca -0.12 -1.69 -0.30 0.00 -2.03 0.00 0.00 56.10 51.97 1m4p s TRP 75 Cb -0.15 -3.68 -0.08 0.00 0.03 0.00 0.00 33.47 29.60 1m4p s TRP 75 CO 0.04 -1.00 1.20 -0.51 0.96 0.00 0.00 176.95 177.64 1m4p s LEU 76 N 1.17 4.44 0.00 2.99 1.02 -0.68 -4.47 118.68 123.15 1m4p s LEU 76 Ca 0.07 2.21 0.00 0.00 0.02 0.00 0.00 54.13 56.44 1m4p s LEU 76 Cb -0.25 -3.60 0.00 0.00 0.02 0.00 0.00 46.19 42.36 1m4p s LEU 76 CO -0.01 -0.38 0.00 -0.11 0.02 0.00 0.00 176.35 175.88 1m4p n LEU 77 N 2.63 0.00 -0.13 1.79 -0.00 -1.26 -4.22 117.00 115.81 1m4p n LEU 77 Ca 0.05 0.00 -0.22 0.00 -0.00 0.00 0.00 56.01 55.84 1m4p n LEU 77 Cb 0.45 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.75 1m4p n LEU 77 CO 0.56 -0.29 -1.36 -0.90 -0.00 0.00 0.00 177.39 175.40 1m4p n ASP 78 N -1.73 1.98 0.00 1.96 5.75 -1.26 -4.66 116.55 118.59 1m4p n ASP 78 Ca 0.00 0.03 0.00 0.00 -0.01 0.00 0.00 54.79 54.81 1m4p n ASP 78 Cb 0.00 -0.56 0.00 0.00 -1.03 0.00 0.00 41.12 39.53 1m4p n ASP 78 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 1m4p n THR 79 N -3.59 0.00 0.00 2.12 5.66 -1.26 0.17 114.28 117.38 1m4p n THR 79 Ca -0.48 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.52 1m4p n THR 79 Cb 0.96 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.74 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 0.00 0.00 0.10 1.09 9.36 -1.26 -4.78 117.16 121.68 1m4p n TYR 80 Ca 0.00 0.00 -0.04 0.00 3.32 0.00 0.00 57.90 61.18 1m4p n TYR 80 Cb 0.00 0.00 0.06 0.00 -0.63 0.00 0.00 39.34 38.77 1m4p n TYR 80 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 1m4p h PRO 81 N 0.00 0.05 0.00 2.98 0.13 -2.01 -3.44 132.00 129.71 1m4p h PRO 81 Ca 0.00 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1m4p h PRO 81 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 1m4p h PRO 81 CO 0.00 0.79 0.00 0.66 -0.23 0.00 0.00 178.00 179.22 1m4p n TYR 82 N -3.66 -0.14 -4.41 1.56 4.01 -1.26 -5.15 117.16 108.11 1m4p n TYR 82 Ca -0.01 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.53 1m4p n TYR 82 Cb 0.74 0.03 -0.10 0.00 -0.31 0.00 0.00 39.34 39.69 1m4p n TYR 82 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 1m4p s ASN 83 N -1.08 2.01 -0.34 7.72 0.02 -1.26 -5.02 114.94 116.98 1m4p s ASN 83 Ca 0.00 -1.39 -0.29 0.00 -1.02 0.00 0.00 52.86 50.17 1m4p s ASN 83 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 41.25 41.28 1m4p s ASN 83 CO 0.00 -0.65 1.38 -2.16 0.02 0.00 0.00 177.10 175.68 1m4p s PRO 84 N -3.93 3.75 0.21 -0.60 0.04 -1.26 -4.85 135.00 128.35 1m4p s PRO 84 Ca 0.37 1.14 0.07 0.00 0.04 0.00 0.00 61.00 62.61 1m4p s PRO 84 Cb 0.08 -3.96 0.12 0.00 0.04 0.00 0.00 34.50 30.79 1m4p s PRO 84 CO 0.15 -1.34 1.47 -1.00 0.04 0.00 0.00 177.00 176.32 1m4p h PRO 85 N 10.04 0.08 -6.35 0.56 0.13 -1.92 -3.42 132.00 131.12 1m4p h PRO 85 Ca -0.27 -0.08 -0.57 0.00 -0.87 0.00 0.00 66.00 64.20 1m4p h PRO 85 Cb 1.11 0.02 -0.09 0.00 0.13 0.00 0.00 31.00 32.17 1m4p h PRO 85 CO 1.05 0.81 0.81 0.42 -0.23 0.00 0.00 178.00 180.87 1m4p s ILE 86 N -3.33 4.19 -0.16 -3.56 1.01 -1.26 -4.86 121.20 113.24 1m4p s ILE 86 Ca -0.02 0.75 -0.05 0.00 0.00 0.00 0.00 60.65 61.34 1m4p s ILE 86 Cb 0.11 -4.63 0.06 0.00 0.01 0.00 0.00 42.46 38.01 1m4p s ILE 86 CO 0.80 -1.18 0.09 0.00 0.00 0.00 0.00 174.94 174.65 1m4p s PHE 88 N 2.15 1.34 0.06 0.00 -0.71 -1.07 -3.06 117.98 116.69 1m4p s PHE 88 Ca 0.02 -1.45 0.03 0.00 -1.04 0.00 0.00 56.93 54.49 1m4p s PHE 88 Cb -0.16 -0.54 -0.04 0.00 -1.21 0.00 0.00 43.02 41.08 1m4p s PHE 88 CO -0.09 -0.80 0.07 0.54 -1.34 0.00 0.00 175.22 173.61 1m4p s VAL 89 N -3.77 4.50 -0.76 -2.49 0.11 0.34 -1.48 120.40 116.85 1m4p s VAL 89 Ca 0.38 -0.73 0.03 0.00 -2.93 0.00 0.00 61.98 58.74 1m4p s VAL 89 Cb 0.04 -3.14 0.18 0.00 -1.53 0.00 0.00 36.38 31.93 1m4p s VAL 89 CO 0.19 0.17 0.57 -0.54 -3.33 0.00 0.00 175.10 172.16 1m4p s LYS 90 N -2.25 2.68 0.98 1.54 -0.14 -1.23 -4.65 119.74 116.68 1m4p s LYS 90 Ca 0.28 -3.34 -0.14 0.00 -1.36 0.00 0.00 55.97 51.40 1m4p s LYS 90 Cb -0.12 -3.57 0.18 0.00 -1.68 0.00 0.00 37.83 32.65 1m4p s LYS 90 CO 0.20 -1.28 1.17 -1.25 -0.76 0.00 0.00 175.35 173.43 1m4p s PRO 91 N -1.44 0.55 0.00 -1.68 0.04 -1.26 -4.53 135.00 126.68 1m4p s PRO 91 Ca 0.26 0.07 0.00 0.00 0.04 0.00 0.00 61.00 61.37 1m4p s PRO 91 Cb -0.05 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.70 1m4p s PRO 91 CO -0.16 -2.56 0.00 0.25 0.04 0.00 0.00 177.00 174.58 1m4p n THR 92 N -3.97 0.00 0.00 1.26 -2.24 -1.26 -5.06 114.28 103.01 1m4p n THR 92 Ca 0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 1m4p n THR 92 Cb 0.59 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 1m4p n THR 92 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1m4p n SER 93 N 0.00 2.62 0.02 3.42 7.64 -1.26 -4.63 113.62 121.43 1m4p n SER 93 Ca 0.00 0.00 0.09 0.00 1.01 0.00 0.00 58.87 59.97 1m4p n SER 93 Cb 0.00 0.00 0.37 0.00 -1.01 0.00 0.00 64.21 63.57 1m4p n SER 93 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1m4p n SER 94 N -2.66 0.11 -3.38 6.43 2.88 -1.26 -4.77 113.62 110.98 1m4p n SER 94 Ca 0.00 0.52 -0.25 0.00 -1.33 0.00 0.00 58.87 57.81 1m4p n SER 94 Cb 0.49 -0.55 0.21 0.00 -0.75 0.00 0.00 64.21 63.62 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 -1.62 -2.94 -3.46 -1.46 2.00 -1.26 -4.13 117.12 104.25 1m4p n MET 95 Ca 0.04 -1.46 -0.19 0.00 0.00 0.00 0.00 57.70 56.09 1m4p n MET 95 Cb 0.20 -1.40 -0.12 0.00 0.00 0.00 0.00 33.22 31.90 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 -2.62 -0.33 0.42 2.03 2.01 -1.10 -4.89 115.64 111.16 1m4p s THR 96 Ca 0.60 -0.33 -0.24 0.00 0.31 0.00 0.00 61.69 62.02 1m4p s THR 96 Cb -0.06 -0.83 -0.08 0.00 0.01 0.00 0.00 72.50 71.53 1m4p s THR 96 CO 0.46 -0.37 1.17 -0.63 -0.69 0.00 0.00 174.62 174.56 1m4p s ILE 97 N 2.32 3.14 -0.53 1.82 1.01 -1.26 -3.10 121.20 124.61 1m4p s ILE 97 Ca 0.08 0.93 0.04 0.00 0.00 0.00 0.00 60.65 61.70 1m4p s ILE 97 Cb -0.15 -3.50 0.13 0.00 0.01 0.00 0.00 42.46 38.95 1m4p s ILE 97 CO -0.23 0.06 0.28 -0.75 0.00 0.00 0.00 174.94 174.29 1m4p s LYS 98 N -2.42 1.93 0.44 2.79 2.20 -1.25 -4.99 119.74 118.45 1m4p s LYS 98 Ca 0.59 -2.62 -0.25 0.00 -0.36 0.00 0.00 55.97 53.34 1m4p s LYS 98 Cb -0.30 -3.20 -0.08 0.00 -1.51 0.00 0.00 37.83 32.75 1m4p s LYS 98 CO 0.37 -1.13 1.29 0.95 -0.36 0.00 0.00 175.35 176.47 1m4p s THR 99 N -0.32 2.61 0.00 3.43 -4.23 -1.26 -4.46 115.64 111.41 1m4p s THR 99 Ca 0.18 0.51 0.00 0.00 -1.18 0.00 0.00 61.69 61.20 1m4p s THR 99 Cb -0.24 -3.29 0.00 0.00 1.34 0.00 0.00 72.50 70.32 1m4p s THR 99 CO -0.02 0.05 0.00 0.61 -0.54 0.00 0.00 174.62 174.72 1m4p n GLY 100 N 0.63 -0.87 2.01 3.99 0.00 -1.05 -4.92 105.19 104.98 1m4p n GLY 100 Ca 0.06 -0.02 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 1m4p n GLY 100 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1m4p n LYS 101 N 0.00 2.04 0.00 1.61 5.02 -1.26 -3.96 118.16 121.61 1m4p n LYS 101 Ca 0.00 -2.04 0.00 0.00 -2.02 0.00 0.00 58.31 54.25 1m4p n LYS 101 Cb 0.00 -1.80 0.00 0.00 -0.02 0.00 0.00 35.03 33.21 1m4p n LYS 101 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1m4p n HIS 102 N -0.00 -0.95 -4.43 2.13 8.25 -1.26 -4.96 115.22 114.00 1m4p n HIS 102 Ca 0.39 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.59 1m4p n HIS 102 Cb 0.60 0.33 -0.10 0.00 1.12 0.00 0.00 29.99 31.94 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 -1.65 2.20 -0.03 1.59 1.01 -1.25 -0.36 120.40 121.91 1m4p s VAL 103 Ca 0.00 -1.92 -0.06 0.00 0.00 0.00 0.00 61.98 60.00 1m4p s VAL 103 Cb 0.00 -2.94 -0.02 0.00 0.00 0.00 0.00 36.38 33.42 1m4p s VAL 103 CO 0.00 -0.05 -0.12 -0.67 0.00 0.00 0.00 175.10 174.26 1m4p n ASP 104 N -1.03 0.96 0.00 3.32 2.03 -1.06 -2.52 116.55 118.25 1m4p n ASP 104 Ca -0.04 0.15 0.00 0.00 0.52 0.00 0.00 54.79 55.42 1m4p n ASP 104 Cb 0.65 -0.45 0.00 0.00 -0.72 0.00 0.00 41.12 40.60 1m4p n ASP 104 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1m4p n ALA 105 N -3.43 0.00 1.02 -1.67 0.00 -1.26 -4.67 120.51 110.50 1m4p n ALA 105 Ca -0.05 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.44 1m4p n ALA 105 Cb 0.18 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.75 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 1.64 0.00 0.00 4.13 -1.26 -4.83 115.26 114.94 1m4p n ASN 106 Ca 0.00 -2.04 0.00 0.00 1.68 0.00 0.00 54.58 54.22 1m4p n ASN 106 Cb 0.00 -0.23 0.00 0.00 -1.54 0.00 0.00 39.78 38.01 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 0.87 0.72 3.71 7.41 0.00 -1.26 -4.83 105.19 111.80 1m4p n GLY 107 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.13 4.49 0.19 1.61 -2.85 -1.26 -0.51 119.74 121.28 1m4p s LYS 108 Ca 0.00 1.54 -0.33 0.00 -1.00 0.00 0.00 55.97 56.18 1m4p s LYS 108 Cb 0.00 -3.44 -0.13 0.00 -2.06 0.00 0.00 37.83 32.20 1m4p s LYS 108 CO 0.00 -0.17 1.64 -0.89 0.10 0.00 0.00 175.35 176.03 1m4p n ILE 109 N 4.04 0.04 -1.59 3.79 5.41 -1.17 -2.55 119.36 127.32 1m4p n ILE 109 Ca 0.08 -0.01 -0.30 0.00 1.00 0.00 0.00 62.75 63.51 1m4p n ILE 109 Cb 0.49 -1.75 -0.03 0.00 -0.71 0.00 0.00 39.64 37.64 1m4p n ILE 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1m4p n TYR 110 N 3.61 1.99 -3.84 1.39 9.36 0.52 -4.89 117.16 125.31 1m4p n TYR 110 Ca 0.16 -2.06 -0.10 0.00 3.32 0.00 0.00 57.90 59.22 1m4p n TYR 110 Cb 0.32 -1.32 -0.08 0.00 -0.63 0.00 0.00 39.34 37.63 1m4p n TYR 110 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 1m4p s LEU 111 N -2.71 1.33 -0.08 2.98 1.43 -1.26 -4.67 118.68 115.70 1m4p s LEU 111 Ca 0.56 -0.45 -0.25 0.00 -1.03 0.00 0.00 54.13 52.96 1m4p s LEU 111 Cb 0.40 1.03 -0.21 0.00 0.03 0.00 0.00 46.19 47.44 1m4p s LEU 111 CO -0.27 -0.63 0.93 1.55 0.23 0.00 0.00 176.35 178.17 1m4p h PRO 112 N 3.17 -0.04 0.00 1.29 0.13 -1.92 -3.46 132.00 131.17 1m4p h PRO 112 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1m4p h PRO 112 Cb 1.20 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1m4p h PRO 112 CO 0.51 0.64 0.00 0.66 -0.23 0.00 0.00 178.00 179.57 1m4p n TYR 113 N -4.76 0.00 0.19 1.56 4.02 -1.26 -2.83 117.16 114.08 1m4p n TYR 113 Ca -0.09 0.00 0.06 0.00 -0.01 0.00 0.00 57.90 57.86 1m4p n TYR 113 Cb 0.34 0.00 0.53 0.00 -0.02 0.00 0.00 39.34 40.19 1m4p n TYR 113 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 1m4p h LEU 114 N 0.00 0.10 -3.65 7.72 6.46 -1.89 0.73 115.31 124.78 1m4p h LEU 114 Ca 0.00 -0.01 -0.29 0.00 -0.12 0.00 0.00 57.88 57.46 1m4p h LEU 114 Cb 0.00 -0.03 -0.17 0.00 -0.73 0.00 0.00 40.66 39.73 1m4p h LEU 114 CO 0.00 0.16 0.37 1.57 -0.62 0.00 0.00 178.44 179.92 1m4p n HIS 115 N -4.42 2.48 0.00 1.25 -0.00 -1.13 -4.07 115.22 109.32 1m4p n HIS 115 Ca -0.02 -1.32 0.00 0.00 0.46 0.00 0.00 57.72 56.84 1m4p n HIS 115 Cb 0.16 -0.73 0.00 0.00 -0.12 0.00 0.00 29.99 29.30 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 -0.39 0.00 0.00 1.57 0.00 0.15 -4.93 120.64 117.03 1m4p n GLU 116 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.60 1m4p n GLU 116 Cb 1.41 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.85 1m4p n GLU 116 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.13 179.00 1m4p n TRP 117 N -2.36 0.00 -4.34 4.31 -0.00 -0.58 -4.85 117.44 109.62 1m4p n TRP 117 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 57.50 57.13 1m4p n TRP 117 Cb 0.00 -0.02 -0.06 0.00 -0.00 0.00 0.00 31.31 31.23 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 -0.55 -1.84 -0.19 5.87 2.85 -1.26 -4.79 118.16 118.25 1m4p n LYS 118 Ca 0.00 0.24 -0.01 0.00 -1.05 0.00 0.00 58.31 57.49 1m4p n LYS 118 Cb 0.00 -4.64 0.10 0.00 -0.65 0.00 0.00 35.03 29.84 1m4p n LYS 118 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 177.40 178.60 1m4p h HIS 119 N -1.33 0.36 -0.02 5.58 2.76 -1.93 -3.45 115.15 117.11 1m4p h HIS 119 Ca -0.61 0.03 -0.07 0.00 -2.20 0.00 0.00 60.37 57.52 1m4p h HIS 119 Cb 1.39 -0.07 0.00 0.00 1.55 0.00 0.00 27.41 30.28 1m4p h HIS 119 CO 0.63 0.09 -0.27 -1.00 -1.30 0.00 0.00 177.93 176.08 1m4p h PRO 120 N 0.38 0.21 0.00 5.26 0.13 -2.02 -3.49 132.00 132.47 1m4p h PRO 120 Ca 0.29 -0.21 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1m4p h PRO 120 Cb 0.36 0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.54 1m4p h PRO 120 CO -0.30 0.91 0.00 0.94 -0.23 0.00 0.00 178.00 179.32 1m4p n GLN 121 N -4.49 0.00 -0.86 0.86 0.00 -1.26 -4.78 117.38 106.85 1m4p n GLN 121 Ca -0.09 0.00 -0.34 0.00 -0.00 0.00 0.00 57.00 56.57 1m4p n GLN 121 Cb 0.50 0.00 0.10 0.00 0.00 0.00 0.00 30.24 30.83 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 0.00 -3.37 -4.29 1.69 2.88 -1.26 -5.02 113.62 104.25 1m4p n SER 122 Ca 0.00 0.27 -0.16 0.00 -1.33 0.00 0.00 58.87 57.65 1m4p n SER 122 Cb 0.00 -1.05 -0.10 0.00 -0.75 0.00 0.00 64.21 62.31 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 -1.68 1.40 0.53 -3.46 1.11 -1.26 -4.95 116.67 108.36 1m4p s ASP 123 Ca 0.51 -1.26 0.42 0.00 0.18 0.00 0.00 52.55 52.41 1m4p s ASP 123 Cb -0.20 0.10 1.62 0.00 1.07 0.00 0.00 42.92 45.51 1m4p s ASP 123 CO 0.72 -0.61 1.66 0.25 1.18 0.00 0.00 175.17 178.37 1m4p h LEU 124 N 2.52 0.05 0.01 1.23 5.85 -1.95 1.47 115.31 124.50 1m4p h LEU 124 Ca -0.38 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.37 1m4p h LEU 124 Cb 1.22 0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.28 1m4p h LEU 124 CO 0.63 -0.03 -0.01 -0.07 -0.34 0.00 0.00 178.44 178.62 1m4p h LEU 125 N 0.02 -0.02 -0.16 2.25 4.07 -1.94 -2.75 115.31 116.79 1m4p h LEU 125 Ca 0.80 -0.39 -0.02 0.00 0.08 0.00 0.00 57.88 58.34 1m4p h LEU 125 Cb 3.07 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 44.81 1m4p h LEU 125 CO -0.08 0.39 0.01 1.23 -1.08 0.00 0.00 178.44 178.90 1m4p h GLY 126 N -0.42 0.30 -0.58 0.83 0.00 0.14 -0.22 103.07 103.11 1m4p h GLY 126 Ca -0.00 -0.22 0.15 0.00 0.00 0.00 0.00 47.33 47.26 1m4p h GLY 126 CO 0.00 0.20 -0.25 -2.00 0.00 0.00 0.00 176.54 174.49 1m4p h LEU 127 N 0.04 -0.90 -0.93 3.11 6.46 -0.14 1.74 115.31 124.68 1m4p h LEU 127 Ca 0.05 0.24 -0.09 0.00 -0.12 0.00 0.00 57.88 57.95 1m4p h LEU 127 Cb 0.35 0.54 -0.01 0.00 -0.73 0.00 0.00 40.66 40.81 1m4p h LEU 127 CO 0.01 -0.27 -0.45 0.40 -0.62 0.00 0.00 178.44 177.50 1m4p h ILE 128 N -0.04 1.10 -0.19 4.05 2.04 -1.38 -2.65 117.51 120.45 1m4p h ILE 128 Ca 0.34 -1.67 -0.04 0.00 1.00 0.00 0.00 64.86 64.49 1m4p h ILE 128 Cb 0.57 1.96 -0.01 0.00 -0.74 0.00 0.00 36.82 38.61 1m4p h ILE 128 CO -0.80 0.44 -0.04 -0.61 0.00 0.00 0.00 178.15 177.14 1m4p h GLN 129 N 0.00 0.35 -0.43 2.37 4.15 0.39 0.12 115.11 122.06 1m4p h GLN 129 Ca -0.00 -0.13 0.01 0.00 0.77 0.00 0.00 58.65 59.29 1m4p h GLN 129 Cb 0.93 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.57 1m4p h GLN 129 CO 0.06 0.61 0.28 0.28 -1.93 0.00 0.00 178.83 178.12 1m4p h VAL 130 N 0.07 1.10 -0.71 2.39 2.07 0.16 -1.64 116.25 119.71 1m4p h VAL 130 Ca 0.05 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 67.33 1m4p h VAL 130 Cb 0.47 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 1m4p h VAL 130 CO 0.02 0.10 0.28 -0.03 0.02 0.00 0.00 177.57 177.96 1m4p h MET 131 N 0.57 1.06 -0.04 1.57 1.85 -1.38 -1.35 114.93 117.20 1m4p h MET 131 Ca 0.16 -0.19 0.01 0.00 -0.61 0.00 0.00 59.70 59.07 1m4p h MET 131 Cb -0.06 -0.17 -0.00 0.00 0.43 0.00 0.00 31.60 31.80 1m4p h MET 131 CO -0.04 0.87 0.03 0.82 -0.40 0.00 0.00 176.91 178.20 1m4p h ILE 132 N 1.01 0.78 0.05 1.77 2.04 -0.22 1.54 117.51 124.47 1m4p h ILE 132 Ca 0.24 0.00 -0.23 0.00 1.00 0.00 0.00 64.86 65.87 1m4p h ILE 132 Cb 0.21 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 1m4p h ILE 132 CO -0.02 0.00 -1.06 0.58 0.00 0.00 0.00 178.15 177.65 1m4p h VAL 133 N 0.00 1.62 0.13 1.67 2.07 -0.35 0.16 116.25 121.55 1m4p h VAL 133 Ca 0.02 -3.19 -0.28 0.00 0.82 0.00 0.00 66.70 64.06 1m4p h VAL 133 Cb 0.09 2.83 0.00 0.00 -1.52 0.00 0.00 31.29 32.69 1m4p h VAL 133 CO -0.00 0.92 -1.33 0.58 0.02 0.00 0.00 177.57 177.77 1m4p h VAL 134 N 0.04 1.40 -0.54 2.57 2.07 0.20 -3.14 116.25 118.85 1m4p h VAL 134 Ca -0.06 -2.99 0.00 0.00 0.82 0.00 0.00 66.70 64.47 1m4p h VAL 134 Cb 1.80 2.89 0.00 0.00 -1.52 0.00 0.00 31.29 34.46 1m4p h VAL 134 CO 0.16 0.87 0.00 0.49 0.02 0.00 0.00 177.57 179.10 1m4p n PHE 135 N -3.51 1.79 -0.02 1.57 3.01 0.50 -4.10 117.46 116.70 1m4p n PHE 135 Ca -0.11 -0.73 -0.02 0.00 1.01 0.00 0.00 57.45 57.61 1m4p n PHE 135 Cb 1.03 -0.43 -0.05 0.00 -0.01 0.00 0.00 39.48 40.03 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 0.56 -0.28 0.03 1.37 0.00 0.57 -4.64 105.19 102.80 1m4p n GLY 136 Ca 0.26 -0.10 -0.00 0.00 0.00 0.00 0.00 46.02 46.18 1m4p n GLY 136 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1m4p h ASP 137 N 0.00 0.00 -2.36 1.61 5.19 -1.71 -3.43 116.42 115.72 1m4p h ASP 137 Ca -0.13 0.00 -0.46 0.00 -0.62 0.00 0.00 57.03 55.82 1m4p h ASP 137 Cb 1.21 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.72 1m4p h ASP 137 CO 0.01 0.35 -0.28 -1.61 -3.12 0.00 0.00 179.24 174.58 1m4p s GLU 138 N -1.39 3.31 -0.33 3.56 2.02 -1.26 -5.04 118.70 119.57 1m4p s GLU 138 Ca -0.00 -0.66 -0.29 0.00 0.02 0.00 0.00 54.97 54.04 1m4p s GLU 138 Cb 0.00 -2.75 0.00 0.00 0.10 0.00 0.00 34.13 31.48 1m4p s GLU 138 CO 0.00 0.14 1.37 -1.25 0.02 0.00 0.00 175.26 175.54 1m4p s PRO 139 N -4.22 3.80 0.34 0.39 0.04 -1.26 -4.65 135.00 129.43 1m4p s PRO 139 Ca 0.41 1.20 0.17 0.00 0.04 0.00 0.00 61.00 62.82 1m4p s PRO 139 Cb -0.09 -3.94 0.46 0.00 0.04 0.00 0.00 34.50 30.96 1m4p s PRO 139 CO 0.33 -1.28 1.62 -1.00 0.04 0.00 0.00 177.00 176.72 1m4p h PRO 140 N 9.88 0.00 0.00 0.56 0.13 -1.90 -3.41 132.00 137.25 1m4p h PRO 140 Ca -0.27 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.74 1m4p h PRO 140 Cb 1.11 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.12 1m4p h PRO 140 CO 1.05 0.44 0.01 1.55 -0.23 0.00 0.00 178.00 180.81 1m4p n VAL 141 N -3.41 0.00 -1.71 1.56 3.14 -1.26 -3.76 118.33 112.88 1m4p n VAL 141 Ca 0.01 -0.75 -0.43 0.00 -2.96 0.00 0.00 64.34 60.20 1m4p n VAL 141 Cb 0.60 1.13 -0.02 0.00 -1.06 0.00 0.00 33.84 34.48 1m4p n VAL 141 CO 0.00 0.00 0.00 2.22 -6.46 0.00 0.00 176.83 172.59 1m4p n PHE 142 N 0.55 2.56 -2.54 1.45 -1.74 -1.18 -4.05 117.46 112.52 1m4p n PHE 142 Ca -0.04 0.32 -0.22 0.00 -0.56 0.00 0.00 57.45 56.94 1m4p n PHE 142 Cb 0.75 -2.54 0.05 0.00 1.52 0.00 0.00 39.48 39.25 1m4p n PHE 142 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 1m4p s SER 143 N 0.45 5.14 -0.32 5.98 0.15 -1.26 -2.70 113.70 121.13 1m4p s SER 143 Ca 0.66 0.08 -0.00 0.00 0.70 0.00 0.00 55.95 57.39 1m4p s SER 143 Cb -0.56 -0.89 0.10 0.00 -1.71 0.00 0.00 66.02 62.96 1m4p s SER 143 CO 0.48 -1.27 0.11 -0.13 1.20 0.00 0.00 173.24 173.63 1m4p s ARG 144 N -4.88 0.80 0.00 5.44 1.81 -1.26 -4.94 118.95 115.92 1m4p s ARG 144 Ca 0.58 -1.21 0.24 0.00 -1.72 0.00 0.00 55.73 53.63 1m4p s ARG 144 Cb -0.10 -2.07 1.43 0.00 -0.45 0.00 0.00 34.95 33.76 1m4p s ARG 144 CO 0.40 -1.00 1.80 -0.35 -0.68 0.00 0.00 175.30 175.46