#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 0.86 -0.02 0.00 3.14 -1.26 -4.60 118.33 116.46 1m4p n VAL 3 Ca 0.00 -0.39 -0.22 0.00 -2.96 0.00 0.00 64.34 60.77 1m4p n VAL 3 Cb 0.00 -0.92 -0.13 0.00 -1.06 0.00 0.00 33.84 31.72 1m4p n VAL 3 CO 0.00 0.00 0.00 -1.28 -6.46 0.00 0.00 176.83 169.09 1m4p h SER 4 N 0.00 0.32 -0.92 6.55 0.87 -2.02 -3.36 113.55 114.99 1m4p h SER 4 Ca -0.34 -0.83 0.28 0.00 -1.23 0.00 0.00 61.79 59.67 1m4p h SER 4 Cb 1.60 -0.10 -0.17 0.00 -0.44 0.00 0.00 62.40 63.29 1m4p h SER 4 CO -0.03 1.74 0.11 1.21 -0.53 0.00 0.00 176.83 179.33 1m4p n GLU 5 N -3.79 -0.07 0.09 2.24 2.13 -1.26 0.19 120.64 120.18 1m4p n GLU 5 Ca -0.31 1.35 -0.13 0.00 0.66 0.00 0.00 57.16 58.73 1m4p n GLU 5 Cb 0.94 -2.20 -0.07 0.00 0.27 0.00 0.00 31.44 30.38 1m4p n GLU 5 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 1m4p h SER 6 N 0.00 -0.12 -0.43 4.31 0.02 -1.81 0.18 113.55 115.69 1m4p h SER 6 Ca 0.60 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 61.46 1m4p h SER 6 Cb 1.33 0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.88 1m4p h SER 6 CO -0.83 -0.09 -0.05 -0.61 -1.14 0.00 0.00 176.83 174.11 1m4p h GLN 7 N -0.15 0.87 0.76 3.45 4.15 0.12 -2.41 115.11 121.89 1m4p h GLN 7 Ca -0.01 -0.27 -0.03 0.00 0.77 0.00 0.00 58.65 59.10 1m4p h GLN 7 Cb 0.11 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.72 1m4p h GLN 7 CO 0.02 0.90 -0.42 1.25 -1.93 0.00 0.00 178.83 178.65 1m4p h LEU 8 N 0.79 -1.03 -1.74 -2.39 5.85 0.25 1.40 115.31 118.43 1m4p h LEU 8 Ca 0.14 0.05 0.27 0.00 0.84 0.00 0.00 57.88 59.18 1m4p h LEU 8 Cb 0.55 0.29 -0.06 0.00 0.37 0.00 0.00 40.66 41.81 1m4p h LEU 8 CO 0.03 -0.67 0.68 0.50 -0.34 0.00 0.00 178.44 178.64 1m4p h LYS 9 N -1.09 0.18 0.00 1.25 3.64 -0.60 1.40 116.57 121.34 1m4p h LYS 9 Ca -0.10 -0.01 -0.18 0.00 -1.27 0.00 0.00 60.65 59.09 1m4p h LYS 9 Cb 0.86 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.61 1m4p h LYS 9 CO 0.13 0.12 -0.95 -0.22 -2.27 0.00 0.00 179.45 176.26 1m4p h LYS 10 N 0.18 0.00 0.00 1.90 3.64 -0.76 -1.56 116.57 119.97 1m4p h LYS 10 Ca 0.50 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.88 1m4p h LYS 10 Cb 1.66 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.48 1m4p h LYS 10 CO -0.11 0.74 0.00 -1.33 -2.27 0.00 0.00 179.45 176.48 1m4p n MET 11 N -3.24 0.76 0.00 1.90 2.81 0.47 -4.61 117.12 115.21 1m4p n MET 11 Ca -0.02 0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.88 1m4p n MET 11 Cb 0.88 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.89 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 -1.04 0.00 -1.80 2.03 0.24 -0.40 -4.96 118.33 112.40 1m4p n VAL 12 Ca 0.19 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.38 1m4p n VAL 12 Cb 0.11 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.45 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 -3.22 0.00 -1.34 2.88 -0.59 -4.58 113.62 106.77 1m4p n SER 13 Ca 0.00 0.25 0.00 0.00 -1.33 0.00 0.00 58.87 57.79 1m4p n SER 13 Cb 0.00 -2.93 0.00 0.00 -0.75 0.00 0.00 64.21 60.53 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 -2.17 0.00 -1.17 -1.46 4.76 -1.26 -5.09 118.16 111.77 1m4p n LYS 14 Ca -0.12 0.00 -0.39 0.00 -2.87 0.00 0.00 58.31 54.93 1m4p n LYS 14 Cb 0.46 -0.35 -0.01 0.00 -1.84 0.00 0.00 35.03 33.29 1m4p n LYS 14 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1m4p n TYR 15 N -2.49 -1.30 -0.15 2.13 4.01 -1.26 -4.81 117.16 113.29 1m4p n TYR 15 Ca 0.00 0.66 -0.03 0.00 -0.16 0.00 0.00 57.90 58.37 1m4p n TYR 15 Cb 0.21 -1.61 0.05 0.00 -0.31 0.00 0.00 39.34 37.68 1m4p n TYR 15 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1m4p h LYS 16 N 0.51 0.29 -1.74 -0.72 3.64 -1.98 -2.65 116.57 113.92 1m4p h LYS 16 Ca -0.29 -0.02 -0.65 0.00 -1.27 0.00 0.00 60.65 58.42 1m4p h LYS 16 Cb 1.26 -0.07 -0.37 0.00 -0.41 0.00 0.00 32.23 32.64 1m4p h LYS 16 CO 0.44 0.19 -0.16 0.66 -2.27 0.00 0.00 179.45 178.32 1m4p n TYR 17 N -5.04 3.33 -0.31 1.91 4.01 -1.26 -4.82 117.16 114.97 1m4p n TYR 17 Ca 0.04 -2.95 0.16 0.00 -0.16 0.00 0.00 57.90 54.99 1m4p n TYR 17 Cb 0.20 -0.46 0.34 0.00 -0.31 0.00 0.00 39.34 39.11 1m4p n TYR 17 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 1m4p h ARG 18 N 2.79 0.29 0.67 -0.72 2.43 -1.80 1.41 114.38 119.46 1m4p h ARG 18 Ca 0.37 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.49 1m4p h ARG 18 Cb 0.61 -0.07 0.01 0.00 -0.42 0.00 0.00 29.97 30.10 1m4p h ARG 18 CO 1.02 0.19 -0.32 0.22 -1.51 0.00 0.00 179.97 179.57 1m4p h ASP 19 N 0.30 -0.77 -0.68 -3.80 3.58 -1.88 1.27 116.42 114.44 1m4p h ASP 19 Ca 0.60 -0.01 0.10 0.00 0.42 0.00 0.00 57.03 58.14 1m4p h ASP 19 Cb 1.23 0.20 -0.04 0.00 1.72 0.00 0.00 39.33 42.44 1m4p h ASP 19 CO -0.60 -0.46 0.45 0.25 -2.88 0.00 0.00 179.24 176.00 1m4p h LEU 20 N -1.05 0.48 -0.01 2.28 5.85 -1.36 0.66 115.31 122.17 1m4p h LEU 20 Ca -0.09 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 1m4p h LEU 20 Cb 0.73 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.67 1m4p h LEU 20 CO 0.15 0.28 -0.02 0.74 -0.34 0.00 0.00 178.44 179.26 1m4p h THR 21 N 0.53 1.46 -0.47 1.05 2.02 0.22 -1.49 112.91 116.22 1m4p h THR 21 Ca 0.32 -1.40 0.01 0.00 0.77 0.00 0.00 66.41 66.11 1m4p h THR 21 Cb 0.53 2.39 -0.02 0.00 -1.74 0.00 0.00 68.15 69.31 1m4p h THR 21 CO -0.10 0.37 0.31 0.58 0.37 0.00 0.00 175.52 177.04 1m4p h VAL 22 N -0.55 1.11 -0.57 3.16 2.07 0.26 0.24 116.25 121.96 1m4p h VAL 22 Ca -0.00 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1m4p h VAL 22 Cb 0.61 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 1m4p h VAL 22 CO 0.00 0.11 0.37 -0.09 0.02 0.00 0.00 177.57 177.98 1m4p h ARG 23 N 0.63 0.76 -0.07 1.57 2.43 0.26 0.60 114.38 120.57 1m4p h ARG 23 Ca 0.18 -0.05 -0.17 0.00 -0.81 0.00 0.00 59.98 59.12 1m4p h ARG 23 Cb -0.06 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.32 1m4p h ARG 23 CO -0.05 0.52 -0.70 0.93 -1.51 0.00 0.00 179.97 179.16 1m4p h GLU 24 N 0.78 0.32 0.06 0.20 3.07 -0.21 -0.62 114.58 118.18 1m4p h GLU 24 Ca 0.21 -0.26 -0.00 0.00 -0.50 0.00 0.00 59.36 58.81 1m4p h GLU 24 Cb -0.07 0.05 0.00 0.00 -0.84 0.00 0.00 28.75 27.90 1m4p h GLU 24 CO -0.04 0.90 -0.03 1.15 -1.40 0.00 0.00 179.01 179.59 1m4p h THR 25 N 0.22 1.26 -0.78 1.13 2.02 0.57 -2.51 112.91 114.82 1m4p h THR 25 Ca -0.02 -1.50 0.02 0.00 0.77 0.00 0.00 66.41 65.68 1m4p h THR 25 Cb 1.26 2.18 -0.05 0.00 -1.74 0.00 0.00 68.15 69.81 1m4p h THR 25 CO 0.11 0.35 0.51 -0.37 0.37 0.00 0.00 175.52 176.49 1m4p h VAL 26 N -0.80 1.14 -0.56 3.16 -1.51 0.09 -1.37 116.25 116.40 1m4p h VAL 26 Ca -0.01 -0.34 0.06 0.00 -1.23 0.00 0.00 66.70 65.18 1m4p h VAL 26 Cb 0.64 0.06 -0.05 0.00 -2.13 0.00 0.00 31.29 29.80 1m4p h VAL 26 CO 0.01 0.18 0.26 0.78 -1.23 0.00 0.00 177.57 177.58 1m4p h ASN 27 N 1.00 0.35 0.17 4.19 4.21 -1.17 0.86 115.58 125.19 1m4p h ASN 27 Ca 0.31 0.04 -0.01 0.00 1.21 0.00 0.00 56.30 57.85 1m4p h ASN 27 Cb -0.03 -0.01 -0.00 0.00 -1.12 0.00 0.00 38.32 37.16 1m4p h ASN 27 CO -0.10 0.23 -0.11 0.58 -1.29 0.00 0.00 177.43 176.75 1m4p h VAL 28 N 0.50 0.00 -0.26 2.81 2.07 -0.83 0.55 116.25 121.09 1m4p h VAL 28 Ca 0.26 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.86 1m4p h VAL 28 Cb 0.22 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.98 1m4p h VAL 28 CO -0.21 0.00 0.41 0.16 0.02 0.00 0.00 177.57 177.95 1m4p h ILE 29 N -0.26 0.23 0.00 4.57 3.07 -1.13 1.30 117.51 125.30 1m4p h ILE 29 Ca -0.02 0.00 -0.15 0.00 1.55 0.00 0.00 64.86 66.24 1m4p h ILE 29 Cb 0.21 0.64 -0.02 0.00 -0.27 0.00 0.00 36.82 37.38 1m4p h ILE 29 CO 0.02 0.00 -0.71 0.74 -1.05 0.00 0.00 178.15 177.15 1m4p h THR 30 N 0.00 1.28 0.07 0.16 2.02 0.17 0.31 112.91 116.92 1m4p h THR 30 Ca 0.12 -2.63 -0.19 0.00 0.77 0.00 0.00 66.41 64.48 1m4p h THR 30 Cb 0.95 2.52 -0.01 0.00 -1.74 0.00 0.00 68.15 69.87 1m4p h THR 30 CO -0.00 0.69 -0.97 0.25 0.37 0.00 0.00 175.52 175.86 1m4p h LEU 31 N 0.00 0.22 0.00 2.58 5.85 0.68 -3.44 115.31 121.20 1m4p h LEU 31 Ca -0.01 -0.82 0.00 0.00 0.84 0.00 0.00 57.88 57.89 1m4p h LEU 31 Cb 1.46 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.42 1m4p h LEU 31 CO 0.09 1.42 -0.62 -1.22 -0.34 0.00 0.00 178.44 177.77 1m4p n TYR 32 N -4.22 0.00 -0.64 1.25 4.01 0.82 -5.01 117.16 113.36 1m4p n TYR 32 Ca -0.22 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.52 1m4p n TYR 32 Cb 0.74 -0.31 0.00 0.00 -0.31 0.00 0.00 39.34 39.46 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 -3.84 0.00 -0.00 -0.72 4.81 0.11 -4.88 118.16 113.64 1m4p n LYS 33 Ca -0.09 0.00 0.10 0.00 -0.87 0.00 0.00 58.31 57.46 1m4p n LYS 33 Cb 0.32 -1.86 -0.12 0.00 0.02 0.00 0.00 35.03 33.39 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 0.64 -4.84 3.14 9.92 -1.26 -4.94 116.55 119.21 1m4p n ASP 34 Ca 0.00 -0.61 -0.33 0.00 -0.53 0.00 0.00 54.79 53.33 1m4p n ASP 34 Cb 0.00 1.31 -0.06 0.00 -0.64 0.00 0.00 41.12 41.73 1m4p n ASP 34 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1m4p s LEU 35 N -3.57 3.93 -0.19 0.64 1.02 -1.26 -3.29 118.68 115.96 1m4p s LEU 35 Ca 0.02 1.51 -0.01 0.00 0.02 0.00 0.00 54.13 55.68 1m4p s LEU 35 Cb 0.15 -4.36 0.05 0.00 0.02 0.00 0.00 46.19 42.05 1m4p s LEU 35 CO 0.88 -0.34 -0.03 -0.75 0.02 0.00 0.00 176.35 176.12 1m4p s LYS 36 N -3.27 1.34 -0.15 1.70 2.47 0.35 -4.88 119.74 117.29 1m4p s LYS 36 Ca 0.59 -0.66 -0.29 0.00 -1.56 0.00 0.00 55.97 54.04 1m4p s LYS 36 Cb -0.10 -2.23 -0.02 0.00 -1.46 0.00 0.00 37.83 34.03 1m4p s LYS 36 CO 0.18 -0.53 1.27 -1.25 0.16 0.00 0.00 175.35 175.18 1m4p s PRO 37 N 1.60 4.24 0.28 4.03 0.04 -1.26 -1.34 135.00 142.58 1m4p s PRO 37 Ca -0.02 1.68 0.11 0.00 0.04 0.00 0.00 61.00 62.81 1m4p s PRO 37 Cb -0.17 -3.76 -0.05 0.00 0.04 0.00 0.00 34.50 30.56 1m4p s PRO 37 CO -0.07 -0.69 -0.18 0.54 0.04 0.00 0.00 177.00 176.64 1m4p s VAL 38 N 3.42 2.32 -0.16 -0.36 0.11 0.44 -5.01 120.40 121.17 1m4p s VAL 38 Ca 0.55 -2.35 0.01 0.00 -2.93 0.00 0.00 61.98 57.26 1m4p s VAL 38 Cb -0.22 -2.30 0.02 0.00 -1.53 0.00 0.00 36.38 32.35 1m4p s VAL 38 CO 0.16 -0.41 -0.18 -0.22 -3.33 0.00 0.00 175.10 171.12 1m4p s LEU 39 N -3.49 1.96 0.15 2.54 1.98 -1.26 -1.83 118.68 118.73 1m4p s LEU 39 Ca 0.29 -0.58 0.08 0.00 -2.89 0.00 0.00 54.13 51.03 1m4p s LEU 39 Cb -0.03 -1.35 -0.04 0.00 0.66 0.00 0.00 46.19 45.42 1m4p s LEU 39 CO 0.14 -0.00 -0.17 -0.62 -1.89 0.00 0.00 176.35 173.81 1m4p s ASP 40 N 1.26 2.44 -0.04 3.68 2.15 -0.95 -5.00 116.67 120.20 1m4p s ASP 40 Ca 0.02 -0.86 -0.02 0.00 0.43 0.00 0.00 52.55 52.13 1m4p s ASP 40 Cb -0.13 -0.12 0.03 0.00 -0.30 0.00 0.00 42.92 42.39 1m4p s ASP 40 CO -0.10 -0.08 0.07 -0.55 -0.17 0.00 0.00 175.17 174.34 1m4p s SER 41 N -2.64 0.62 0.24 -0.34 0.15 -1.26 -0.11 113.70 110.36 1m4p s SER 41 Ca 0.14 0.12 0.04 0.00 0.70 0.00 0.00 55.95 56.96 1m4p s SER 41 Cb -0.05 -0.03 -0.05 0.00 -1.71 0.00 0.00 66.02 64.18 1m4p s SER 41 CO 0.05 -0.20 -0.02 -0.47 1.20 0.00 0.00 173.24 173.80 1m4p s TYR 42 N 1.74 1.65 0.15 3.44 5.04 -0.64 -4.77 117.35 123.96 1m4p s TYR 42 Ca -0.01 -0.86 -0.25 0.00 -2.44 0.00 0.00 57.07 53.51 1m4p s TYR 42 Cb -0.12 -0.95 -0.08 0.00 0.35 0.00 0.00 41.96 41.16 1m4p s TYR 42 CO -0.04 0.04 0.75 0.14 -1.34 0.00 0.00 175.55 175.11 1m4p s VAL 43 N -3.32 4.41 0.20 3.14 -7.23 -1.26 0.98 120.40 117.33 1m4p s VAL 43 Ca 0.28 1.65 0.00 0.00 -1.81 0.00 0.00 61.98 62.10 1m4p s VAL 43 Cb 0.05 -4.11 0.00 0.00 0.56 0.00 0.00 36.38 32.88 1m4p s VAL 43 CO 0.09 0.53 0.00 0.49 -0.31 0.00 0.00 175.10 175.90 1m4p n PHE 44 N 1.61 -1.97 -1.55 2.82 3.72 -0.93 -4.70 117.46 116.46 1m4p n PHE 44 Ca -0.06 0.40 -0.28 0.00 -0.05 0.00 0.00 57.45 57.46 1m4p n PHE 44 Cb 0.49 0.87 -0.05 0.00 -0.94 0.00 0.00 39.48 39.85 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 -3.12 2.06 -2.14 4.37 4.13 -1.25 -2.42 115.26 116.88 1m4p n ASN 45 Ca 0.00 -0.86 -0.06 0.00 1.68 0.00 0.00 54.58 55.35 1m4p n ASN 45 Cb 0.00 -1.59 -0.01 0.00 -1.54 0.00 0.00 39.78 36.64 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 16.78 -2.11 -0.64 6.41 2.03 -1.26 -0.46 116.55 137.31 1m4p n ASP 46 Ca 0.42 0.30 0.00 0.00 0.52 0.00 0.00 54.79 56.03 1m4p n ASP 46 Cb 0.49 -1.96 0.00 0.00 -0.72 0.00 0.00 41.12 38.93 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 -0.50 0.57 3.06 0.27 0.00 -1.02 -5.08 105.19 102.49 1m4p n GLY 47 Ca -0.06 -0.33 -0.32 0.00 0.00 0.00 0.00 46.02 45.31 1m4p n GLY 47 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1m4p s SER 48 N -2.24 3.67 0.13 1.61 0.01 0.40 -4.74 113.70 112.53 1m4p s SER 48 Ca 0.00 -0.98 -0.34 0.00 1.31 0.00 0.00 55.95 55.94 1m4p s SER 48 Cb 0.00 -1.43 -0.17 0.00 0.21 0.00 0.00 66.02 64.64 1m4p s SER 48 CO 0.00 -0.11 1.10 -1.54 0.41 0.00 0.00 173.24 173.09 1m4p n SER 49 N 4.57 0.83 -3.89 2.44 3.41 -1.26 -2.18 113.62 117.54 1m4p n SER 49 Ca -0.17 1.14 -0.13 0.00 -0.26 0.00 0.00 58.87 59.46 1m4p n SER 49 Cb 0.46 -1.13 -0.14 0.00 -0.26 0.00 0.00 64.21 63.15 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 -0.27 0.10 -0.20 4.33 3.52 0.28 -4.89 118.95 121.82 1m4p s ARG 50 Ca 0.77 -0.07 -0.29 0.00 -0.13 0.00 0.00 55.73 56.01 1m4p s ARG 50 Cb -0.95 -0.08 0.00 0.00 -1.56 0.00 0.00 34.95 32.35 1m4p s ARG 50 CO 0.53 0.02 1.10 -1.21 -0.81 0.00 0.00 175.30 174.93 1m4p s GLU 51 N -0.09 4.26 -0.09 5.12 8.01 -1.26 -1.62 118.70 133.03 1m4p s GLU 51 Ca -0.00 1.45 -0.01 0.00 0.01 0.00 0.00 54.97 56.42 1m4p s GLU 51 Cb -0.01 -3.67 0.03 0.00 -4.31 0.00 0.00 34.13 26.18 1m4p s GLU 51 CO -0.00 -0.63 -0.00 -0.51 0.01 0.00 0.00 175.26 174.13 1m4p s LEU 52 N 3.19 0.70 0.57 1.80 1.43 0.84 -4.99 118.68 122.22 1m4p s LEU 52 Ca 0.48 -0.18 -0.17 0.00 -1.03 0.00 0.00 54.13 53.23 1m4p s LEU 52 Cb -0.17 -0.49 -0.05 0.00 0.03 0.00 0.00 46.19 45.50 1m4p s LEU 52 CO 0.09 -0.20 1.05 -0.32 0.23 0.00 0.00 176.35 177.20 1m4p s MET 53 N 1.94 3.46 0.07 1.70 -2.45 -1.24 -2.25 119.30 120.53 1m4p s MET 53 Ca 0.04 1.22 -0.19 0.00 -1.25 0.00 0.00 55.69 55.52 1m4p s MET 53 Cb -0.13 -2.05 0.04 0.00 1.25 0.00 0.00 34.83 33.94 1m4p s MET 53 CO -0.06 -0.69 0.44 0.54 1.05 0.00 0.00 175.02 176.29 1m4p s ASN 54 N -2.64 -0.31 0.03 1.11 4.22 -0.76 -0.65 114.94 115.95 1m4p s ASN 54 Ca 0.64 -0.04 0.06 0.00 -2.14 0.00 0.00 52.86 51.38 1m4p s ASN 54 Cb -0.16 0.45 -0.02 0.00 1.28 0.00 0.00 41.25 42.81 1m4p s ASN 54 CO 0.33 -0.73 -0.18 -0.76 -2.04 0.00 0.00 177.10 173.72 1m4p s LEU 55 N -2.20 2.15 -0.16 3.54 1.43 -0.79 -0.42 118.68 122.23 1m4p s LEU 55 Ca -0.03 -0.47 -0.13 0.00 -1.03 0.00 0.00 54.13 52.46 1m4p s LEU 55 Cb -0.00 -0.86 0.05 0.00 0.03 0.00 0.00 46.19 45.40 1m4p s LEU 55 CO -0.05 0.13 0.42 0.28 0.23 0.00 0.00 176.35 177.36 1m4p s THR 56 N -0.76 -0.01 0.00 5.49 -1.32 -0.45 -2.44 115.64 116.16 1m4p s THR 56 Ca 0.06 0.03 0.00 0.00 -1.21 0.00 0.00 61.69 60.56 1m4p s THR 56 Cb -0.08 -0.59 0.00 0.00 -1.51 0.00 0.00 72.50 70.32 1m4p s THR 56 CO 0.01 0.01 0.00 0.61 -2.21 0.00 0.00 174.62 173.04 1m4p n GLY 57 N 3.27 -0.79 3.17 6.08 0.00 -1.06 -0.50 105.19 115.36 1m4p n GLY 57 Ca -0.16 -1.07 -0.38 0.00 0.00 0.00 0.00 46.02 44.41 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 -2.00 3.68 0.44 2.61 -4.23 -1.21 -0.48 115.64 114.46 1m4p s THR 58 Ca 0.00 -1.82 -0.22 0.00 -1.18 0.00 0.00 61.69 58.48 1m4p s THR 58 Cb 0.00 -3.41 -0.09 0.00 1.34 0.00 0.00 72.50 70.33 1m4p s THR 58 CO 0.00 -0.64 1.02 0.27 -0.54 0.00 0.00 174.62 174.73 1m4p s ILE 59 N 1.26 3.93 -0.51 2.99 -4.36 0.50 -4.60 121.20 120.41 1m4p s ILE 59 Ca 0.06 1.29 -0.28 0.00 -0.26 0.00 0.00 60.65 61.45 1m4p s ILE 59 Cb -0.23 -3.57 0.01 0.00 1.25 0.00 0.00 42.46 39.91 1m4p s ILE 59 CO -0.02 -0.17 1.47 -2.16 0.24 0.00 0.00 174.94 174.29 1m4p s PRO 60 N -2.97 3.34 -0.37 0.37 0.04 -1.26 -1.42 135.00 132.73 1m4p s PRO 60 Ca 0.63 0.66 -0.13 0.00 0.04 0.00 0.00 61.00 62.20 1m4p s PRO 60 Cb -0.16 -4.12 0.00 0.00 0.04 0.00 0.00 34.50 30.26 1m4p s PRO 60 CO 0.20 -1.88 0.25 0.08 0.04 0.00 0.00 177.00 175.70 1m4p s VAL 61 N 6.13 5.12 0.56 -0.36 1.01 -0.81 -4.92 120.40 127.12 1m4p s VAL 61 Ca 0.58 -0.49 -0.17 0.00 0.00 0.00 0.00 61.98 61.89 1m4p s VAL 61 Cb -0.12 -3.74 -0.05 0.00 0.00 0.00 0.00 36.38 32.46 1m4p s VAL 61 CO 0.28 -0.15 1.04 -2.16 0.00 0.00 0.00 175.10 174.11 1m4p s PRO 62 N 1.67 3.51 -0.04 2.72 0.04 -1.26 -1.05 135.00 140.60 1m4p s PRO 62 Ca 0.05 1.21 0.06 0.00 0.04 0.00 0.00 61.00 62.36 1m4p s PRO 62 Cb -0.18 -2.06 0.09 0.00 0.04 0.00 0.00 34.50 32.39 1m4p s PRO 62 CO 0.09 -0.66 0.95 0.98 0.04 0.00 0.00 177.00 178.40 1m4p n TYR 63 N -1.71 0.00 -1.50 0.56 9.36 0.32 -4.71 117.16 119.48 1m4p n TYR 63 Ca 0.09 -0.40 0.00 0.00 3.32 0.00 0.00 57.90 60.91 1m4p n TYR 63 Cb 0.53 -0.07 0.00 0.00 -0.63 0.00 0.00 39.34 39.17 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 -0.53 0.00 0.00 2.98 0.00 -1.26 -4.61 116.66 113.24 1m4p n ARG 64 Ca 0.05 0.03 0.00 0.00 -0.00 0.00 0.00 57.85 57.92 1m4p n ARG 64 Cb 0.55 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.51 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 -1.47 1.16 2.88 5.14 0.00 -1.26 -5.09 105.19 106.54 1m4p n GLY 65 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.50 0.03 -0.26 1.61 0.01 -1.26 -5.13 114.94 109.44 1m4p s ASN 66 Ca 0.00 -0.04 0.02 0.00 -0.71 0.00 0.00 52.86 52.14 1m4p s ASN 66 Cb 0.00 0.00 0.07 0.00 0.41 0.00 0.00 41.25 41.73 1m4p s ASN 66 CO 0.00 -0.02 -0.07 -0.89 -1.51 0.00 0.00 177.10 174.61 1m4p s THR 67 N -0.10 2.00 0.00 1.60 2.01 -1.26 0.12 115.64 120.01 1m4p s THR 67 Ca -0.01 -1.61 0.00 0.00 0.31 0.00 0.00 61.69 60.38 1m4p s THR 67 Cb -0.01 -2.20 0.00 0.00 0.01 0.00 0.00 72.50 70.31 1m4p s THR 67 CO -0.00 -0.12 0.00 -1.22 -0.69 0.00 0.00 174.62 172.59 1m4p n TYR 68 N 4.48 -2.46 -3.92 4.92 4.02 -0.21 -4.77 117.16 119.21 1m4p n TYR 68 Ca -0.11 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.47 1m4p n TYR 68 Cb 0.42 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.59 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 3.98 -0.19 7.72 0.01 -1.26 -1.93 114.94 122.27 1m4p s ASN 69 Ca 0.00 -1.37 -0.07 0.00 -0.71 0.00 0.00 52.86 50.71 1m4p s ASN 69 Cb 0.00 -1.18 -0.04 0.00 0.41 0.00 0.00 41.25 40.44 1m4p s ASN 69 CO 0.00 -0.28 0.05 -0.51 -1.51 0.00 0.00 177.10 174.84 1m4p s ILE 70 N 1.37 4.53 0.56 0.60 1.10 -0.51 -4.88 121.20 123.98 1m4p s ILE 70 Ca -0.01 -0.12 -0.17 0.00 -0.51 0.00 0.00 60.65 59.84 1m4p s ILE 70 Cb -0.19 -3.05 -0.05 0.00 0.15 0.00 0.00 42.46 39.33 1m4p s ILE 70 CO -0.09 0.44 1.05 -2.16 -2.11 0.00 0.00 174.94 172.07 1m4p s PRO 71 N 0.62 3.47 -0.16 3.50 0.04 -1.26 -0.37 135.00 140.84 1m4p s PRO 71 Ca 0.02 1.21 -0.13 0.00 0.04 0.00 0.00 61.00 62.14 1m4p s PRO 71 Cb -0.13 -2.05 0.05 0.00 0.04 0.00 0.00 34.50 32.40 1m4p s PRO 71 CO 0.02 -0.68 0.42 0.42 0.04 0.00 0.00 177.00 177.21 1m4p s ILE 72 N -2.38 -0.01 -0.03 0.56 1.01 0.37 -3.70 121.20 117.02 1m4p s ILE 72 Ca 0.64 0.02 0.02 0.00 0.00 0.00 0.00 60.65 61.33 1m4p s ILE 72 Cb -0.15 -0.60 0.01 0.00 0.01 0.00 0.00 42.46 41.73 1m4p s ILE 72 CO 0.33 0.01 -0.07 0.00 0.00 0.00 0.00 174.94 175.21 1m4p s LEU 74 N 0.48 0.67 0.02 0.00 2.34 -1.02 -2.59 118.68 118.59 1m4p s LEU 74 Ca -0.07 -0.08 0.02 0.00 0.06 0.00 0.00 54.13 54.06 1m4p s LEU 74 Cb -0.11 1.51 -0.04 0.00 -0.56 0.00 0.00 46.19 46.99 1m4p s LEU 74 CO 0.00 -0.62 0.03 0.26 -1.06 0.00 0.00 176.35 174.97 1m4p s TRP 75 N -2.39 3.13 -0.13 3.48 0.52 -0.91 -1.89 118.94 120.75 1m4p s TRP 75 Ca -0.06 0.10 0.00 0.00 0.02 0.00 0.00 56.10 56.16 1m4p s TRP 75 Cb -0.01 -1.66 -0.01 0.00 -1.15 0.00 0.00 33.47 30.63 1m4p s TRP 75 CO -0.02 0.49 -0.14 -1.17 0.02 0.00 0.00 176.95 176.14 1m4p s LEU 76 N -1.81 2.68 0.00 2.99 2.96 0.18 -4.34 118.68 121.35 1m4p s LEU 76 Ca 0.22 -0.34 0.00 0.00 -0.22 0.00 0.00 54.13 53.80 1m4p s LEU 76 Cb -0.12 -1.60 0.00 0.00 0.50 0.00 0.00 46.19 44.97 1m4p s LEU 76 CO 0.14 0.17 0.00 -0.11 -1.32 0.00 0.00 176.35 175.22 1m4p n LEU 77 N 3.51 0.00 -0.04 -0.68 7.94 -1.26 -3.69 117.00 122.77 1m4p n LEU 77 Ca -0.18 0.00 -0.00 0.00 -1.11 0.00 0.00 56.01 54.72 1m4p n LEU 77 Cb 0.53 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 44.48 1m4p n LEU 77 CO 0.30 -0.38 -0.00 -2.24 -1.11 0.00 0.00 177.39 173.96 1m4p h ASP 78 N 0.00 0.00 0.00 1.96 2.03 -1.97 -3.47 116.42 114.97 1m4p h ASP 78 Ca 0.00 0.00 -0.10 0.00 -0.73 0.00 0.00 57.03 56.20 1m4p h ASP 78 Cb 0.00 0.00 -0.10 0.00 -0.83 0.00 0.00 39.33 38.40 1m4p h ASP 78 CO 0.00 0.41 0.13 1.07 -1.03 0.00 0.00 179.24 179.82 1m4p n THR 79 N -4.27 0.00 -3.60 1.15 5.66 -1.26 -4.46 114.28 107.50 1m4p n THR 79 Ca -0.00 -0.73 -0.11 0.00 -3.05 0.00 0.00 64.05 60.16 1m4p n THR 79 Cb 0.00 0.70 -0.06 0.00 -1.55 0.00 0.00 70.33 69.42 1m4p n THR 79 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 175.07 171.55 1m4p s TYR 80 N 0.05 -0.50 0.13 1.09 5.04 -1.26 -4.61 117.35 117.28 1m4p s TYR 80 Ca 0.08 1.10 0.14 0.00 -2.44 0.00 0.00 57.07 55.94 1m4p s TYR 80 Cb 0.12 0.38 0.33 0.00 0.35 0.00 0.00 41.96 43.15 1m4p s TYR 80 CO -0.05 -0.33 1.57 -1.00 -1.34 0.00 0.00 175.55 174.41 1m4p h PRO 81 N 3.67 0.00 0.00 4.97 0.13 -2.01 -3.41 132.00 135.35 1m4p h PRO 81 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1m4p h PRO 81 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1m4p h PRO 81 CO 0.19 0.57 0.00 0.66 -0.23 0.00 0.00 178.00 179.19 1m4p n TYR 82 N -3.52 0.00 0.00 1.56 4.01 -1.26 -5.13 117.16 112.82 1m4p n TYR 82 Ca -0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1m4p n TYR 82 Cb 0.65 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.68 1m4p n TYR 82 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1m4p n ASN 83 N 0.00 0.00 -4.62 7.72 4.05 -1.26 -4.96 115.26 116.19 1m4p n ASN 83 Ca 0.00 0.00 -0.43 0.00 0.45 0.00 0.00 54.58 54.60 1m4p n ASN 83 Cb 0.00 0.00 -0.02 0.00 1.23 0.00 0.00 39.78 40.99 1m4p n ASN 83 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1m4p s PRO 84 N -2.00 3.78 0.48 1.20 0.04 -1.26 -4.82 135.00 132.41 1m4p s PRO 84 Ca 0.00 1.17 0.27 0.00 0.04 0.00 0.00 61.00 62.48 1m4p s PRO 84 Cb 0.00 -3.95 0.81 0.00 0.04 0.00 0.00 34.50 31.40 1m4p s PRO 84 CO 0.00 -1.30 1.78 -1.00 0.04 0.00 0.00 177.00 176.51 1m4p h PRO 85 N 9.96 0.00 -4.75 0.56 0.13 -1.91 -3.40 132.00 132.59 1m4p h PRO 85 Ca -0.27 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 64.16 1m4p h PRO 85 Cb 1.11 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.04 1m4p h PRO 85 CO 1.05 0.06 -0.02 0.42 -0.23 0.00 0.00 178.00 179.28 1m4p s ILE 86 N -3.43 4.94 -0.13 -3.56 -1.09 -1.26 -4.99 121.20 111.67 1m4p s ILE 86 Ca 0.04 -0.75 -0.04 0.00 -2.23 0.00 0.00 60.65 57.67 1m4p s ILE 86 Cb 0.07 -4.31 0.06 0.00 -1.58 0.00 0.00 42.46 36.70 1m4p s ILE 86 CO 0.62 -0.84 0.16 0.00 -1.23 0.00 0.00 174.94 173.65 1m4p s PHE 88 N 2.27 -0.62 0.34 0.00 -0.12 -1.07 -2.34 117.98 116.45 1m4p s PHE 88 Ca 0.04 1.19 -0.28 0.00 -0.05 0.00 0.00 56.93 57.83 1m4p s PHE 88 Cb -0.14 0.33 -0.10 0.00 -0.63 0.00 0.00 43.02 42.48 1m4p s PHE 88 CO -0.08 -0.51 1.26 0.54 -0.05 0.00 0.00 175.22 176.38 1m4p s VAL 89 N -0.80 2.86 -0.75 -2.49 0.11 0.23 -2.28 120.40 117.28 1m4p s VAL 89 Ca -0.08 0.83 0.04 0.00 -2.93 0.00 0.00 61.98 59.83 1m4p s VAL 89 Cb -0.02 -3.52 0.18 0.00 -1.53 0.00 0.00 36.38 31.50 1m4p s VAL 89 CO 0.07 0.17 0.57 1.17 -3.33 0.00 0.00 175.10 173.75 1m4p n LYS 90 N 0.65 2.04 -1.25 1.54 4.81 -1.24 -4.62 118.16 120.10 1m4p n LYS 90 Ca 0.01 -4.50 -0.25 0.00 -0.87 0.00 0.00 58.31 52.70 1m4p n LYS 90 Cb 0.43 -2.32 0.19 0.00 0.02 0.00 0.00 35.03 33.36 1m4p n LYS 90 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1m4p n PRO 91 N 1.98 -1.95 0.00 1.64 -0.04 -1.26 -4.41 135.00 130.96 1m4p n PRO 91 Ca 0.21 -1.61 0.00 0.00 -0.04 0.00 0.00 63.50 62.06 1m4p n PRO 91 Cb 0.36 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 1m4p n PRO 91 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1m4p n THR 92 N -4.02 0.00 -0.01 0.52 -2.24 -1.26 -5.07 114.28 102.19 1m4p n THR 92 Ca 0.13 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.90 1m4p n THR 92 Cb 0.49 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.71 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 3.97 0.00 3.42 7.64 -1.26 -4.57 113.62 122.83 1m4p n SER 93 Ca 0.00 -0.01 0.13 0.00 1.01 0.00 0.00 58.87 60.00 1m4p n SER 93 Cb 0.00 0.12 0.79 0.00 -1.01 0.00 0.00 64.21 64.11 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 -2.44 0.00 -2.30 6.43 2.88 -1.26 -4.79 113.62 112.14 1m4p n SER 94 Ca -0.04 -0.74 0.00 0.00 -1.33 0.00 0.00 58.87 56.75 1m4p n SER 94 Cb 0.56 -0.04 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 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 -1.04 0.10 -3.08 -1.46 2.00 -1.26 -4.58 117.12 107.80 1m4p n MET 95 Ca 0.19 0.00 -0.10 0.00 0.00 0.00 0.00 57.70 57.79 1m4p n MET 95 Cb 0.11 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.30 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 -0.78 -0.61 0.42 2.03 2.01 -1.25 -4.89 115.64 112.58 1m4p s THR 96 Ca 0.00 -1.13 -0.25 0.00 0.31 0.00 0.00 61.69 60.62 1m4p s THR 96 Cb 0.00 -0.37 -0.10 0.00 0.01 0.00 0.00 72.50 72.04 1m4p s THR 96 CO 0.00 -0.36 1.14 0.00 -0.69 0.00 0.00 174.62 174.71 1m4p n ILE 97 N 3.45 2.56 -4.00 1.82 3.06 -1.26 -3.48 119.36 121.50 1m4p n ILE 97 Ca 0.18 -0.50 -0.31 0.00 -2.50 0.00 0.00 62.75 59.62 1m4p n ILE 97 Cb 0.52 -1.35 -0.16 0.00 0.54 0.00 0.00 39.64 39.20 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 -2.13 2.10 0.40 9.51 2.36 -1.20 -4.95 119.74 125.83 1m4p s LYS 98 Ca 0.63 -0.82 -0.23 0.00 -2.55 0.00 0.00 55.97 53.00 1m4p s LYS 98 Cb -0.53 -2.39 -0.10 0.00 -1.05 0.00 0.00 37.83 33.75 1m4p s LYS 98 CO 0.57 -0.40 0.96 0.95 1.55 0.00 0.00 175.35 178.98 1m4p s THR 99 N 1.40 4.24 0.00 3.43 -4.23 -1.26 -4.70 115.64 114.51 1m4p s THR 99 Ca -0.00 1.55 0.00 0.00 -1.18 0.00 0.00 61.69 62.05 1m4p s THR 99 Cb -0.16 -3.71 0.00 0.00 1.34 0.00 0.00 72.50 69.97 1m4p s THR 99 CO -0.09 -0.15 0.00 0.61 -0.54 0.00 0.00 174.62 174.45 1m4p n GLY 100 N -0.18 1.52 1.95 3.99 0.00 -1.18 -4.97 105.19 106.33 1m4p n GLY 100 Ca 0.06 -0.28 -0.20 0.00 0.00 0.00 0.00 46.02 45.60 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 1.97 0.00 1.61 5.02 -1.26 -3.98 118.16 121.52 1m4p n LYS 101 Ca 0.00 -1.94 0.00 0.00 -2.02 0.00 0.00 58.31 54.35 1m4p n LYS 101 Cb 0.00 -1.76 0.00 0.00 -0.02 0.00 0.00 35.03 33.25 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 -0.03 -0.54 -4.26 2.13 8.25 -1.26 -4.93 115.22 114.58 1m4p n HIS 102 Ca 0.37 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.60 1m4p n HIS 102 Cb 0.69 0.50 -0.08 0.00 1.12 0.00 0.00 29.99 32.23 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 -2.00 2.94 -0.16 1.59 1.01 -1.26 -1.59 120.40 120.93 1m4p s VAL 103 Ca 0.00 -1.89 -0.14 0.00 0.00 0.00 0.00 61.98 59.95 1m4p s VAL 103 Cb 0.00 -2.84 -0.05 0.00 0.00 0.00 0.00 36.38 33.49 1m4p s VAL 103 CO 0.00 -0.24 -0.26 -0.67 0.00 0.00 0.00 175.10 173.93 1m4p n ASP 104 N -0.99 1.87 0.00 3.32 -0.08 -1.22 -3.08 116.55 116.38 1m4p n ASP 104 Ca -0.04 0.48 0.00 0.00 -1.51 0.00 0.00 54.79 53.72 1m4p n ASP 104 Cb 0.61 -0.81 0.00 0.00 2.34 0.00 0.00 41.12 43.26 1m4p n ASP 104 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1m4p n ALA 105 N -4.04 0.00 1.58 -1.67 0.00 -1.26 -4.71 120.51 110.40 1m4p n ALA 105 Ca -0.11 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.41 1m4p n ALA 105 Cb 0.40 0.00 0.35 0.00 0.00 0.00 0.00 19.45 20.20 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 0.83 0.00 0.00 3.02 -1.26 -4.84 115.26 113.02 1m4p n ASN 106 Ca 0.00 -1.69 0.00 0.00 -0.03 0.00 0.00 54.58 52.86 1m4p n ASN 106 Cb 0.00 -0.07 0.00 0.00 -0.61 0.00 0.00 39.78 39.10 1m4p n ASN 106 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1m4p n GLY 107 N 0.90 0.59 3.65 7.41 0.00 -1.26 -4.89 105.19 111.59 1m4p n GLY 107 Ca 0.12 -0.11 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.38 4.17 0.09 1.61 -2.85 -1.26 0.77 119.74 121.88 1m4p s LYS 108 Ca 0.00 1.61 -0.31 0.00 -1.00 0.00 0.00 55.97 56.27 1m4p s LYS 108 Cb 0.00 -3.80 -0.09 0.00 -2.06 0.00 0.00 37.83 31.89 1m4p s LYS 108 CO 0.00 -0.80 1.64 -1.50 0.10 0.00 0.00 175.35 174.79 1m4p s ILE 109 N 3.71 2.97 -0.04 3.79 2.07 -0.99 -3.39 121.20 129.31 1m4p s ILE 109 Ca 0.56 0.48 -0.01 0.00 -1.41 0.00 0.00 60.65 60.26 1m4p s ILE 109 Cb -0.21 -3.31 0.03 0.00 0.13 0.00 0.00 42.46 39.10 1m4p s ILE 109 CO 0.17 0.00 0.04 -0.47 -1.91 0.00 0.00 174.94 172.77 1m4p s TYR 110 N 2.39 0.24 -0.12 3.50 6.14 -0.62 -4.89 117.35 123.98 1m4p s TYR 110 Ca 0.73 0.11 -0.30 0.00 0.64 0.00 0.00 57.07 58.25 1m4p s TYR 110 Cb -0.40 -0.53 0.11 0.00 0.42 0.00 0.00 41.96 41.56 1m4p s TYR 110 CO 0.32 -0.21 0.89 -0.51 0.64 0.00 0.00 175.55 176.69 1m4p s LEU 111 N 1.88 -0.46 0.00 6.97 1.43 -1.26 -4.28 118.68 122.95 1m4p s LEU 111 Ca 0.02 0.49 -0.01 0.00 -1.03 0.00 0.00 54.13 53.60 1m4p s LEU 111 Cb -0.12 2.08 -0.05 0.00 0.03 0.00 0.00 46.19 48.13 1m4p s LEU 111 CO -0.03 -0.43 1.80 -0.81 0.23 0.00 0.00 176.35 177.10 1m4p n PRO 112 N 0.76 0.92 -0.08 1.29 -0.04 -1.26 -3.39 135.00 133.20 1m4p n PRO 112 Ca -0.13 -0.17 -0.12 0.00 -0.04 0.00 0.00 63.50 63.04 1m4p n PRO 112 Cb 0.58 -1.29 -0.07 0.00 -0.04 0.00 0.00 33.50 32.67 1m4p n PRO 112 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1m4p n TYR 113 N 1.85 0.00 -0.01 0.54 0.18 -1.26 -4.28 117.16 114.17 1m4p n TYR 113 Ca 0.07 0.00 -0.09 0.00 1.88 0.00 0.00 57.90 59.76 1m4p n TYR 113 Cb 0.44 -0.60 -0.03 0.00 -0.38 0.00 0.00 39.34 38.78 1m4p n TYR 113 CO 0.00 0.00 0.00 1.25 -2.08 0.00 0.00 176.86 176.03 1m4p h LEU 114 N -0.10 -0.47 -3.84 -3.48 6.46 -2.01 -0.55 115.31 111.31 1m4p h LEU 114 Ca -0.36 0.09 -0.46 0.00 -0.12 0.00 0.00 57.88 57.03 1m4p h LEU 114 Cb 1.51 0.23 -0.19 0.00 -0.73 0.00 0.00 40.66 41.48 1m4p h LEU 114 CO -0.09 -0.19 0.56 1.57 -0.62 0.00 0.00 178.44 179.67 1m4p n HIS 115 N -5.30 2.04 0.00 1.25 -0.00 -1.26 -4.17 115.22 107.78 1m4p n HIS 115 Ca -0.02 -2.25 0.00 0.00 0.46 0.00 0.00 57.72 55.91 1m4p n HIS 115 Cb 0.21 -1.16 0.00 0.00 -0.12 0.00 0.00 29.99 28.92 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 0.07 0.00 0.00 1.57 2.13 -0.25 -4.99 120.64 119.17 1m4p n GLU 116 Ca 0.42 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.24 1m4p n GLU 116 Cb 0.58 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.29 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 -1.58 0.00 -4.03 4.31 -0.00 -0.98 -4.74 117.44 110.42 1m4p n TRP 117 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 57.50 57.15 1m4p n TRP 117 Cb 0.00 -0.07 -0.06 0.00 -0.00 0.00 0.00 31.31 31.18 1m4p n TRP 117 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 177.69 178.86 1m4p n LYS 118 N -0.76 -0.91 -0.22 5.87 4.81 -1.26 -4.73 118.16 120.97 1m4p n LYS 118 Ca 0.00 0.11 0.02 0.00 -0.87 0.00 0.00 58.31 57.57 1m4p n LYS 118 Cb 0.00 -4.13 0.13 0.00 0.02 0.00 0.00 35.03 31.05 1m4p n LYS 118 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 1m4p h HIS 119 N -0.70 0.36 -0.02 5.64 2.76 -1.95 -3.45 115.15 117.78 1m4p h HIS 119 Ca -0.48 0.03 -0.07 0.00 -2.20 0.00 0.00 60.37 57.65 1m4p h HIS 119 Cb 1.19 -0.06 0.01 0.00 1.55 0.00 0.00 27.41 30.10 1m4p h HIS 119 CO 0.64 0.04 -0.27 -1.00 -1.30 0.00 0.00 177.93 176.04 1m4p h PRO 120 N 0.37 0.22 0.00 5.26 0.13 -1.93 -3.50 132.00 132.55 1m4p h PRO 120 Ca 0.34 -0.21 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1m4p h PRO 120 Cb 0.48 0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.66 1m4p h PRO 120 CO -0.37 0.91 0.00 0.94 -0.23 0.00 0.00 178.00 179.25 1m4p n GLN 121 N -4.49 0.00 -1.11 0.86 -0.06 -1.26 -4.82 117.38 106.50 1m4p n GLN 121 Ca -0.09 0.00 -0.37 0.00 -2.00 0.00 0.00 57.00 54.54 1m4p n GLN 121 Cb 0.50 0.00 0.04 0.00 -4.06 0.00 0.00 30.24 26.72 1m4p n GLN 121 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 1m4p n SER 122 N 0.56 -4.53 -4.41 1.69 2.88 -1.26 -5.00 113.62 103.55 1m4p n SER 122 Ca 0.00 0.40 -0.20 0.00 -1.33 0.00 0.00 58.87 57.74 1m4p n SER 122 Cb 0.00 -0.86 -0.10 0.00 -0.75 0.00 0.00 64.21 62.50 1m4p n SER 122 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 1m4p s ASP 123 N -1.10 2.29 0.41 -3.46 -4.77 -1.26 -4.97 116.67 103.81 1m4p s ASP 123 Ca 0.49 -1.30 0.24 0.00 -3.30 0.00 0.00 52.55 48.69 1m4p s ASP 123 Cb -0.31 -0.07 1.30 0.00 -1.09 0.00 0.00 42.92 42.74 1m4p s ASP 123 CO 0.74 -0.53 1.66 0.25 0.70 0.00 0.00 175.17 177.99 1m4p h LEU 124 N 2.25 0.34 0.89 2.11 5.85 -1.94 0.56 115.31 125.36 1m4p h LEU 124 Ca -0.40 0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.42 1m4p h LEU 124 Cb 1.24 0.11 0.01 0.00 0.37 0.00 0.00 40.66 42.39 1m4p h LEU 124 CO 0.68 -0.13 -0.43 -0.07 -0.34 0.00 0.00 178.44 178.15 1m4p h LEU 125 N 0.19 -1.01 -1.33 2.25 4.07 -1.95 -1.07 115.31 116.46 1m4p h LEU 125 Ca 0.76 0.03 0.07 0.00 0.08 0.00 0.00 57.88 58.82 1m4p h LEU 125 Cb 2.17 0.26 -0.05 0.00 1.08 0.00 0.00 40.66 44.13 1m4p h LEU 125 CO -0.45 -0.69 0.50 1.23 -1.08 0.00 0.00 178.44 177.96 1m4p h GLY 126 N -1.26 1.04 0.46 0.83 0.00 -0.70 -0.52 103.07 102.93 1m4p h GLY 126 Ca -0.12 -0.32 -0.02 0.00 0.00 0.00 0.00 47.33 46.87 1m4p h GLY 126 CO 0.20 0.23 -0.35 -2.00 0.00 0.00 0.00 176.54 174.62 1m4p h LEU 127 N 0.80 -0.92 -1.97 3.11 6.46 0.13 0.69 115.31 123.61 1m4p h LEU 127 Ca 0.34 0.06 0.00 0.00 -0.12 0.00 0.00 57.88 58.16 1m4p h LEU 127 Cb 0.28 0.29 0.00 0.00 -0.73 0.00 0.00 40.66 40.49 1m4p h LEU 127 CO -0.12 -0.50 0.05 0.40 -0.62 0.00 0.00 178.44 177.66 1m4p h ILE 128 N -0.78 0.00 0.22 4.05 2.04 -0.88 0.51 117.51 122.67 1m4p h ILE 128 Ca -0.06 0.00 -0.30 0.00 1.00 0.00 0.00 64.86 65.50 1m4p h ILE 128 Cb 0.65 0.66 0.03 0.00 -0.74 0.00 0.00 36.82 37.41 1m4p h ILE 128 CO 0.02 0.00 -1.32 -0.61 0.00 0.00 0.00 178.15 176.23 1m4p h GLN 129 N 0.00 0.46 -0.00 2.37 4.15 0.63 -2.19 115.11 120.52 1m4p h GLN 129 Ca 0.00 -0.79 -0.00 0.00 0.77 0.00 0.00 58.65 58.63 1m4p h GLN 129 Cb 0.11 0.29 -0.00 0.00 0.21 0.00 0.00 27.48 28.09 1m4p h GLN 129 CO 0.00 1.38 0.00 0.28 -1.93 0.00 0.00 178.83 178.56 1m4p h VAL 130 N -0.01 1.08 -0.28 2.39 2.07 0.25 -1.60 116.25 120.15 1m4p h VAL 130 Ca -0.24 -0.24 -0.05 0.00 0.82 0.00 0.00 66.70 66.99 1m4p h VAL 130 Cb 2.01 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 33.01 1m4p h VAL 130 CO 0.23 0.06 -0.04 0.00 0.02 0.00 0.00 177.57 177.84 1m4p h MET 131 N -0.10 0.44 0.00 1.57 -0.00 -1.52 -1.16 114.93 114.16 1m4p h MET 131 Ca 0.00 -0.10 -0.04 0.00 -0.00 0.00 0.00 59.70 59.57 1m4p h MET 131 Cb 0.10 -0.06 -0.01 0.00 -0.00 0.00 0.00 31.60 31.63 1m4p h MET 131 CO -0.00 0.50 -0.19 0.82 -0.00 0.00 0.00 176.91 178.05 1m4p h ILE 132 N 0.42 0.97 0.16 -0.10 2.04 -0.96 1.52 117.51 121.57 1m4p h ILE 132 Ca 0.09 -0.68 -0.30 0.00 1.00 0.00 0.00 64.86 64.98 1m4p h ILE 132 Cb 0.34 1.38 0.01 0.00 -0.74 0.00 0.00 36.82 37.82 1m4p h ILE 132 CO 0.01 0.18 -1.36 0.58 0.00 0.00 0.00 178.15 177.56 1m4p h VAL 133 N 0.00 1.38 -0.00 1.67 2.07 -0.28 -0.76 116.25 120.33 1m4p h VAL 133 Ca -0.00 -2.92 -0.01 0.00 0.82 0.00 0.00 66.70 64.60 1m4p h VAL 133 Cb 0.37 2.95 0.00 0.00 -1.52 0.00 0.00 31.29 33.08 1m4p h VAL 133 CO 0.02 0.86 -0.02 0.58 0.02 0.00 0.00 177.57 179.03 1m4p h VAL 134 N 0.10 1.62 -0.24 2.57 2.07 -0.48 -3.01 116.25 118.87 1m4p h VAL 134 Ca -0.19 -1.84 0.00 0.00 0.82 0.00 0.00 66.70 65.49 1m4p h VAL 134 Cb 2.04 2.86 0.00 0.00 -1.52 0.00 0.00 31.29 34.67 1m4p h VAL 134 CO 0.22 0.48 0.00 0.49 0.02 0.00 0.00 177.57 178.78 1m4p n PHE 135 N -4.70 0.72 -0.05 1.57 3.01 0.51 -3.55 117.46 114.98 1m4p n PHE 135 Ca -0.09 -0.26 -0.05 0.00 1.01 0.00 0.00 57.45 58.05 1m4p n PHE 135 Cb 0.39 -0.20 -0.08 0.00 -0.01 0.00 0.00 39.48 39.58 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 0.42 -0.50 0.03 1.37 0.00 -0.29 -4.60 105.19 101.62 1m4p n GLY 136 Ca 0.11 -0.17 -0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.27 1.61 3.32 -1.57 -3.42 116.42 113.09 1m4p h ASP 137 Ca -0.28 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.28 1m4p h ASP 137 Cb 1.63 0.00 0.01 0.00 0.22 0.00 0.00 39.33 41.19 1m4p h ASP 137 CO 0.01 0.31 -0.04 -1.61 -1.72 0.00 0.00 179.24 176.20 1m4p s GLU 138 N -1.38 3.57 -0.34 3.56 2.02 -1.24 -5.02 118.70 119.87 1m4p s GLU 138 Ca -0.01 0.02 -0.29 0.00 0.02 0.00 0.00 54.97 54.71 1m4p s GLU 138 Cb 0.00 -2.53 0.00 0.00 0.10 0.00 0.00 34.13 31.71 1m4p s GLU 138 CO 0.02 0.01 1.37 -1.25 0.02 0.00 0.00 175.26 175.43 1m4p s PRO 139 N -4.26 3.77 0.26 0.39 0.04 -1.26 -4.65 135.00 129.29 1m4p s PRO 139 Ca 0.45 1.16 0.12 0.00 0.04 0.00 0.00 61.00 62.77 1m4p s PRO 139 Cb -0.10 -3.95 0.26 0.00 0.04 0.00 0.00 34.50 30.75 1m4p s PRO 139 CO 0.37 -1.31 1.54 -1.00 0.04 0.00 0.00 177.00 176.65 1m4p h PRO 140 N 9.96 0.00 0.00 0.56 0.13 -1.88 -3.41 132.00 137.36 1m4p h PRO 140 Ca -0.27 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.71 1m4p h PRO 140 Cb 1.11 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.11 1m4p h PRO 140 CO 1.05 0.64 -0.10 1.55 -0.23 0.00 0.00 178.00 180.92 1m4p n VAL 141 N -3.57 0.00 -1.70 1.56 3.14 -1.26 -3.24 118.33 113.25 1m4p n VAL 141 Ca -0.00 -0.93 -0.42 0.00 -2.96 0.00 0.00 64.34 60.02 1m4p n VAL 141 Cb 0.68 1.22 -0.03 0.00 -1.06 0.00 0.00 33.84 34.65 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 0.12 2.15 0.80 1.45 -0.71 -1.23 -4.25 117.98 116.31 1m4p s PHE 142 Ca 0.21 -0.04 -0.10 0.00 -1.04 0.00 0.00 56.93 55.97 1m4p s PHE 142 Cb 0.29 -4.19 0.11 0.00 -1.21 0.00 0.00 43.02 38.02 1m4p s PHE 142 CO -0.15 -4.91 1.13 0.45 -1.34 0.00 0.00 175.22 170.40 1m4p s SER 143 N 2.70 4.23 0.45 1.98 0.15 -1.26 -3.81 113.70 118.14 1m4p s SER 143 Ca 0.81 0.39 0.03 0.00 0.70 0.00 0.00 55.95 57.88 1m4p s SER 143 Cb -0.46 -0.81 0.01 0.00 -1.71 0.00 0.00 66.02 63.05 1m4p s SER 143 CO 0.36 -2.01 0.65 -0.13 1.20 0.00 0.00 173.24 173.32 1m4p s ARG 144 N -5.49 2.89 0.00 5.44 0.52 -1.26 -4.95 118.95 116.10 1m4p s ARG 144 Ca 0.65 -0.78 0.24 0.00 -0.52 0.00 0.00 55.73 55.32 1m4p s ARG 144 Cb -0.08 -2.62 1.44 0.00 0.52 0.00 0.00 34.95 34.21 1m4p s ARG 144 CO 0.48 -0.34 1.80 -0.35 0.02 0.00 0.00 175.30 176.91