#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 1.52 -0.07 0.00 3.14 -1.26 -4.18 118.33 117.48 1m4p n VAL 3 Ca 0.00 -0.13 -0.06 0.00 -2.96 0.00 0.00 64.34 61.20 1m4p n VAL 3 Cb 0.00 -2.03 -0.02 0.00 -1.06 0.00 0.00 33.84 30.73 1m4p n VAL 3 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 1m4p n SER 4 N -4.38 1.80 -0.36 6.55 3.41 -1.26 -3.95 113.62 115.42 1m4p n SER 4 Ca -0.37 0.55 0.31 0.00 -0.26 0.00 0.00 58.87 59.10 1m4p n SER 4 Cb 0.71 -0.83 0.57 0.00 -0.26 0.00 0.00 64.21 64.40 1m4p n SER 4 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1m4p h GLU 5 N -0.98 0.12 -0.12 4.33 5.08 -1.98 1.05 114.58 122.08 1m4p h GLU 5 Ca 0.00 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1m4p h GLU 5 Cb 0.62 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 1m4p h GLU 5 CO 0.00 0.08 0.02 1.03 -1.00 0.00 0.00 179.01 179.14 1m4p h SER 6 N 0.13 0.01 -0.42 1.42 0.87 -1.75 0.41 113.55 114.21 1m4p h SER 6 Ca 0.81 0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 61.34 1m4p h SER 6 Cb 2.16 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 64.13 1m4p h SER 6 CO -0.62 0.02 0.10 -0.61 -0.53 0.00 0.00 176.83 175.19 1m4p h GLN 7 N 0.07 0.68 -0.06 2.24 5.75 0.86 0.16 115.11 124.82 1m4p h GLN 7 Ca 0.05 -0.17 0.02 0.00 -0.15 0.00 0.00 58.65 58.40 1m4p h GLN 7 Cb 0.04 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.48 1m4p h GLN 7 CO -0.07 0.70 -0.05 1.25 -2.65 0.00 0.00 178.83 178.01 1m4p h LEU 8 N 0.55 -0.17 -1.65 -2.39 5.85 -0.40 0.22 115.31 117.32 1m4p h LEU 8 Ca 0.13 0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.85 1m4p h LEU 8 Cb 0.33 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 1m4p h LEU 8 CO 0.00 -0.08 -0.18 0.50 -0.34 0.00 0.00 178.44 178.34 1m4p h LYS 9 N -0.07 0.00 0.00 1.25 3.64 -0.04 0.14 116.57 121.49 1m4p h LYS 9 Ca 0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1m4p h LYS 9 Cb 0.13 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1m4p h LYS 9 CO -0.10 0.18 0.00 1.63 -2.27 0.00 0.00 179.45 178.89 1m4p n LYS 10 N -4.28 0.14 0.00 1.90 5.02 0.56 -2.36 118.16 119.14 1m4p n LYS 10 Ca -0.02 0.20 0.12 0.00 -2.02 0.00 0.00 58.31 56.59 1m4p n LYS 10 Cb 0.25 -1.70 0.21 0.00 -0.02 0.00 0.00 35.03 33.77 1m4p n LYS 10 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1m4p n MET 11 N -1.95 0.86 0.00 1.97 2.81 0.63 -4.85 117.12 116.59 1m4p n MET 11 Ca 0.05 -0.60 0.00 0.00 -1.81 0.00 0.00 57.70 55.34 1m4p n MET 11 Cb 0.33 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.36 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 -0.55 0.00 0.00 2.03 0.24 -1.00 -4.41 118.33 114.65 1m4p n VAL 12 Ca 0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.40 1m4p n VAL 12 Cb 0.39 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.76 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 -3.44 -1.34 2.88 -1.06 -4.70 113.62 105.96 1m4p n SER 13 Ca 0.00 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.20 1m4p n SER 13 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 1m4p n SER 13 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1m4p n LYS 14 N 0.00 4.01 -4.95 -1.46 2.85 -1.26 -4.95 118.16 112.40 1m4p n LYS 14 Ca 0.00 -4.72 -0.28 0.00 -1.05 0.00 0.00 58.31 52.26 1m4p n LYS 14 Cb 0.00 -2.36 -0.15 0.00 -0.65 0.00 0.00 35.03 31.87 1m4p n LYS 14 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 1m4p s TYR 15 N -3.43 2.05 0.23 5.58 1.51 -1.26 -5.01 117.35 117.02 1m4p s TYR 15 Ca 0.41 -0.39 -0.15 0.00 -1.01 0.00 0.00 57.07 55.93 1m4p s TYR 15 Cb 0.19 -1.27 0.27 0.00 -0.11 0.00 0.00 41.96 41.03 1m4p s TYR 15 CO -0.07 0.04 1.50 1.17 -1.11 0.00 0.00 175.55 177.08 1m4p n LYS 16 N 2.16 -0.20 -3.27 -0.62 3.00 -1.26 -2.91 118.16 115.05 1m4p n LYS 16 Ca -0.16 1.49 -0.25 0.00 -0.00 0.00 0.00 58.31 59.39 1m4p n LYS 16 Cb 0.52 -2.22 -0.08 0.00 0.00 0.00 0.00 35.03 33.26 1m4p n LYS 16 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1m4p n TYR 17 N -5.45 0.23 -0.38 5.64 4.01 -1.26 -4.95 117.16 114.99 1m4p n TYR 17 Ca 0.11 -3.63 0.31 0.00 -0.16 0.00 0.00 57.90 54.53 1m4p n TYR 17 Cb 0.40 -0.30 0.58 0.00 -0.31 0.00 0.00 39.34 39.72 1m4p n TYR 17 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1m4p h ARG 18 N 4.31 0.15 0.35 -0.72 3.08 -1.90 1.50 114.38 121.15 1m4p h ARG 18 Ca 0.12 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.14 1m4p h ARG 18 Cb 0.85 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.87 1m4p h ARG 18 CO 0.51 0.10 -0.17 0.22 -1.07 0.00 0.00 179.97 179.56 1m4p h ASP 19 N 0.16 -0.40 -0.93 7.04 3.58 -1.92 0.17 116.42 124.12 1m4p h ASP 19 Ca 0.79 -0.09 0.17 0.00 0.42 0.00 0.00 57.03 58.31 1m4p h ASP 19 Cb 2.20 0.10 -0.08 0.00 1.72 0.00 0.00 39.33 43.27 1m4p h ASP 19 CO -0.52 0.05 0.59 0.25 -2.88 0.00 0.00 179.24 176.74 1m4p h LEU 20 N -1.05 0.63 0.08 2.28 5.85 -1.04 0.44 115.31 122.50 1m4p h LEU 20 Ca -0.05 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1m4p h LEU 20 Cb 0.47 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.43 1m4p h LEU 20 CO 0.08 0.28 -0.04 0.74 -0.34 0.00 0.00 178.44 179.16 1m4p h THR 21 N 0.65 1.18 -0.39 1.05 2.02 0.19 -0.18 112.91 117.43 1m4p h THR 21 Ca 0.49 -0.98 0.06 0.00 0.77 0.00 0.00 66.41 66.75 1m4p h THR 21 Cb 0.88 1.80 -0.05 0.00 -1.74 0.00 0.00 68.15 69.03 1m4p h THR 21 CO -0.24 0.24 0.09 0.58 0.37 0.00 0.00 175.52 176.55 1m4p h VAL 22 N -0.55 0.81 -0.68 3.16 2.07 0.67 0.39 116.25 122.12 1m4p h VAL 22 Ca -0.01 -0.07 0.01 0.00 0.82 0.00 0.00 66.70 67.44 1m4p h VAL 22 Cb 0.47 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 1m4p h VAL 22 CO 0.02 0.04 0.45 -0.09 0.02 0.00 0.00 177.57 178.00 1m4p h ARG 23 N 0.22 0.89 -0.65 1.57 2.43 -0.18 0.66 114.38 119.31 1m4p h ARG 23 Ca 0.19 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.26 1m4p h ARG 23 Cb 0.21 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 29.54 1m4p h ARG 23 CO -0.24 0.59 0.22 0.93 -1.51 0.00 0.00 179.97 179.96 1m4p h GLU 24 N 0.91 0.97 0.25 0.20 3.07 0.10 0.18 114.58 120.27 1m4p h GLU 24 Ca 0.25 -0.18 -0.01 0.00 -0.50 0.00 0.00 59.36 58.92 1m4p h GLU 24 Cb -0.10 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 27.65 1m4p h GLU 24 CO -0.05 0.81 -0.12 1.15 -1.40 0.00 0.00 179.01 179.40 1m4p h THR 25 N 0.94 0.00 -0.82 1.13 2.02 0.53 -2.39 112.91 114.32 1m4p h THR 25 Ca 0.21 -0.47 0.19 0.00 0.77 0.00 0.00 66.41 67.11 1m4p h THR 25 Cb 0.23 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.52 1m4p h THR 25 CO -0.01 0.00 0.25 -0.37 0.37 0.00 0.00 175.52 175.76 1m4p h VAL 26 N -0.82 0.46 -0.33 3.16 -1.51 0.27 0.37 116.25 117.85 1m4p h VAL 26 Ca -0.03 -0.10 0.05 0.00 -1.23 0.00 0.00 66.70 65.39 1m4p h VAL 26 Cb 0.26 0.13 -0.05 0.00 -2.13 0.00 0.00 31.29 29.50 1m4p h VAL 26 CO 0.06 0.05 0.02 0.78 -1.23 0.00 0.00 177.57 177.26 1m4p h ASN 27 N 0.30 -0.08 0.21 4.19 4.21 -0.71 1.16 115.58 124.86 1m4p h ASN 27 Ca 0.49 0.07 -0.01 0.00 1.21 0.00 0.00 56.30 58.06 1m4p h ASN 27 Cb 0.90 0.11 -0.01 0.00 -1.12 0.00 0.00 38.32 38.20 1m4p h ASN 27 CO -0.55 -0.01 -0.17 0.58 -1.29 0.00 0.00 177.43 175.99 1m4p h VAL 28 N 0.12 0.00 -0.09 2.81 2.07 0.20 0.43 116.25 121.79 1m4p h VAL 28 Ca 0.16 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.71 1m4p h VAL 28 Cb 0.20 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.97 1m4p h VAL 28 CO -0.25 0.00 0.30 0.16 0.02 0.00 0.00 177.57 177.81 1m4p h ILE 29 N -0.37 0.12 0.00 4.57 3.07 -0.89 1.46 117.51 125.47 1m4p h ILE 29 Ca -0.03 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.38 1m4p h ILE 29 Cb 0.31 0.72 0.00 0.00 -0.27 0.00 0.00 36.82 37.58 1m4p h ILE 29 CO 0.00 0.00 -0.17 0.74 -1.05 0.00 0.00 178.15 177.68 1m4p h THR 30 N 0.00 0.00 0.01 0.16 2.02 0.29 0.46 112.91 115.84 1m4p h THR 30 Ca 0.04 -0.98 -0.33 0.00 0.77 0.00 0.00 66.41 65.92 1m4p h THR 30 Cb 0.65 1.89 -0.05 0.00 -1.74 0.00 0.00 68.15 68.91 1m4p h THR 30 CO -0.00 0.00 -1.80 -0.11 0.37 0.00 0.00 175.52 173.98 1m4p n LEU 31 N -2.99 1.95 -0.05 2.58 7.94 0.47 -4.73 117.00 122.17 1m4p n LEU 31 Ca 0.03 0.37 -0.02 0.00 -1.11 0.00 0.00 56.01 55.28 1m4p n LEU 31 Cb 0.53 -0.92 -0.01 0.00 0.53 0.00 0.00 43.42 43.55 1m4p n LEU 31 CO 0.35 0.43 -0.16 1.88 -1.11 0.00 0.00 177.39 178.78 1m4p h TYR 32 N -0.93 0.00 0.00 1.96 0.05 -0.65 -3.48 116.97 113.92 1m4p h TYR 32 Ca -0.49 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.29 1m4p h TYR 32 Cb 1.47 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.21 1m4p h TYR 32 CO 0.03 0.00 0.00 1.17 -1.05 0.00 0.00 178.16 178.31 1m4p n LYS 33 N -4.25 0.00 0.04 4.88 4.81 0.15 -4.81 118.16 118.98 1m4p n LYS 33 Ca -0.03 0.00 0.06 0.00 -0.87 0.00 0.00 58.31 57.46 1m4p n LYS 33 Cb 0.12 -1.06 -0.07 0.00 0.02 0.00 0.00 35.03 34.04 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 0.65 -4.93 3.14 9.92 -1.26 -4.92 116.55 119.15 1m4p n ASP 34 Ca 0.00 0.27 -0.24 0.00 -0.53 0.00 0.00 54.79 54.29 1m4p n ASP 34 Cb 0.00 0.63 0.06 0.00 -0.64 0.00 0.00 41.12 41.17 1m4p n ASP 34 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1m4p s LEU 35 N -5.39 2.97 -0.20 0.64 2.96 -1.26 -3.11 118.68 115.29 1m4p s LEU 35 Ca -0.03 0.28 -0.26 0.00 -0.22 0.00 0.00 54.13 53.89 1m4p s LEU 35 Cb 0.10 -3.00 0.07 0.00 0.50 0.00 0.00 46.19 43.86 1m4p s LEU 35 CO 0.82 -1.46 0.69 -0.54 -1.32 0.00 0.00 176.35 174.55 1m4p s LYS 36 N -5.08 0.89 -0.12 1.98 1.02 0.28 -4.81 119.74 113.89 1m4p s LYS 36 Ca 0.59 0.77 -0.30 0.00 0.02 0.00 0.00 55.97 57.06 1m4p s LYS 36 Cb -0.10 0.43 -0.02 0.00 -0.52 0.00 0.00 37.83 37.61 1m4p s LYS 36 CO 0.43 -0.16 1.26 -1.25 -0.92 0.00 0.00 175.35 174.70 1m4p s PRO 37 N -0.08 4.28 0.32 -1.68 0.04 -1.26 0.70 135.00 137.31 1m4p s PRO 37 Ca -0.03 1.69 0.08 0.00 0.04 0.00 0.00 61.00 62.78 1m4p s PRO 37 Cb -0.04 -3.69 -0.06 0.00 0.04 0.00 0.00 34.50 30.76 1m4p s PRO 37 CO 0.04 -0.61 -0.07 0.54 0.04 0.00 0.00 177.00 176.93 1m4p s VAL 38 N 3.00 1.92 0.20 -0.36 0.11 0.34 -4.90 120.40 120.71 1m4p s VAL 38 Ca 0.56 -2.16 0.10 0.00 -2.93 0.00 0.00 61.98 57.55 1m4p s VAL 38 Cb -0.23 -2.57 -0.04 0.00 -1.53 0.00 0.00 36.38 32.00 1m4p s VAL 38 CO 0.18 -0.23 -0.15 -0.22 -3.33 0.00 0.00 175.10 171.35 1m4p s LEU 39 N -3.53 2.76 -0.08 2.54 1.98 -1.26 -0.30 118.68 120.79 1m4p s LEU 39 Ca 0.31 -0.72 -0.10 0.00 -2.89 0.00 0.00 54.13 50.74 1m4p s LEU 39 Cb 0.03 -1.45 0.02 0.00 0.66 0.00 0.00 46.19 45.46 1m4p s LEU 39 CO 0.14 0.10 0.26 1.51 -1.89 0.00 0.00 176.35 176.48 1m4p s ASP 40 N -2.86 -0.23 -0.77 3.68 1.47 -0.65 -4.83 116.67 112.48 1m4p s ASP 40 Ca 0.24 0.39 -0.01 0.00 1.18 0.00 0.00 52.55 54.36 1m4p s ASP 40 Cb -0.08 0.48 0.19 0.00 -0.34 0.00 0.00 42.92 43.17 1m4p s ASP 40 CO 0.13 -0.18 0.61 -0.55 0.68 0.00 0.00 175.17 175.86 1m4p s SER 41 N -0.25 5.49 0.05 2.11 0.15 -1.25 -0.60 113.70 119.40 1m4p s SER 41 Ca -0.04 -3.48 0.03 0.00 0.70 0.00 0.00 55.95 53.16 1m4p s SER 41 Cb -0.03 -1.83 -0.04 0.00 -1.71 0.00 0.00 66.02 62.41 1m4p s SER 41 CO 0.01 -0.22 0.02 -0.47 1.20 0.00 0.00 173.24 173.79 1m4p s TYR 42 N -0.97 3.07 0.19 3.44 5.04 -0.67 -4.59 117.35 122.86 1m4p s TYR 42 Ca 0.24 0.04 -0.19 0.00 -2.44 0.00 0.00 57.07 54.71 1m4p s TYR 42 Cb -0.11 -1.61 -0.08 0.00 0.35 0.00 0.00 41.96 40.51 1m4p s TYR 42 CO -0.10 0.49 0.69 0.14 -1.34 0.00 0.00 175.55 175.42 1m4p s VAL 43 N -1.25 4.61 0.17 3.14 -7.23 -1.26 0.18 120.40 118.77 1m4p s VAL 43 Ca 0.24 1.24 0.00 0.00 -1.81 0.00 0.00 61.98 61.66 1m4p s VAL 43 Cb -0.12 -3.87 0.00 0.00 0.56 0.00 0.00 36.38 32.95 1m4p s VAL 43 CO 0.16 0.28 0.00 0.49 -0.31 0.00 0.00 175.10 175.72 1m4p n PHE 44 N 0.92 -1.84 -1.55 2.82 3.72 -0.94 -4.67 117.46 115.91 1m4p n PHE 44 Ca -0.04 0.37 -0.32 0.00 -0.05 0.00 0.00 57.45 57.41 1m4p n PHE 44 Cb 0.51 0.95 -0.05 0.00 -0.94 0.00 0.00 39.48 39.95 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 -2.99 1.94 -2.02 4.37 3.02 -1.25 -2.06 115.26 116.27 1m4p n ASN 45 Ca 0.00 -0.62 -0.06 0.00 -0.03 0.00 0.00 54.58 53.87 1m4p n ASN 45 Cb 0.00 -1.51 -0.01 0.00 -0.61 0.00 0.00 39.78 37.65 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 15.71 -2.10 -0.75 6.41 2.03 -1.26 -0.73 116.55 135.85 1m4p n ASP 46 Ca 0.42 0.28 0.00 0.00 0.52 0.00 0.00 54.79 56.01 1m4p n ASP 46 Cb 0.47 -1.98 0.00 0.00 -0.72 0.00 0.00 41.12 38.89 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 -0.46 0.71 3.00 0.27 0.00 -0.87 -5.08 105.19 102.76 1m4p n GLY 47 Ca -0.07 -0.40 -0.31 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 -2.40 4.18 0.35 1.61 0.15 0.09 -4.73 113.70 112.96 1m4p s SER 48 Ca 0.00 -1.34 -0.24 0.00 0.70 0.00 0.00 55.95 55.08 1m4p s SER 48 Cb 0.00 -1.37 -0.15 0.00 -1.71 0.00 0.00 66.02 62.79 1m4p s SER 48 CO 0.00 -0.22 0.39 -1.20 1.20 0.00 0.00 173.24 173.40 1m4p n SER 49 N 4.54 -1.63 -3.77 5.45 7.64 -1.26 -2.22 113.62 122.37 1m4p n SER 49 Ca -0.12 0.94 -0.13 0.00 1.01 0.00 0.00 58.87 60.57 1m4p n SER 49 Cb 0.43 -0.99 -0.12 0.00 -1.01 0.00 0.00 64.21 62.51 1m4p n SER 49 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1m4p s ARG 50 N -1.22 0.23 -1.40 1.43 3.52 0.48 -4.82 118.95 117.18 1m4p s ARG 50 Ca 0.62 0.37 -0.14 0.00 -0.13 0.00 0.00 55.73 56.44 1m4p s ARG 50 Cb -0.70 0.03 0.06 0.00 -1.56 0.00 0.00 34.95 32.79 1m4p s ARG 50 CO 0.60 -0.08 2.05 -0.85 -0.81 0.00 0.00 175.30 176.21 1m4p n GLU 51 N 3.41 3.03 -2.56 5.12 0.00 -1.24 -1.66 120.64 126.73 1m4p n GLU 51 Ca -0.17 -2.90 -0.41 0.00 0.00 0.00 0.00 57.16 53.68 1m4p n GLU 51 Cb 0.56 -3.30 -0.04 0.00 0.00 0.00 0.00 31.44 28.67 1m4p n GLU 51 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 1m4p s LEU 52 N 2.44 4.45 -0.54 -1.84 0.20 0.23 -4.80 118.68 118.83 1m4p s LEU 52 Ca 0.48 1.97 -0.28 0.00 0.69 0.00 0.00 54.13 56.99 1m4p s LEU 52 Cb 0.11 -3.59 0.03 0.00 -0.43 0.00 0.00 46.19 42.30 1m4p s LEU 52 CO -0.04 -0.25 1.13 -0.32 -0.29 0.00 0.00 176.35 176.58 1m4p s MET 53 N 0.14 3.55 0.37 1.98 1.75 -1.23 -1.63 119.30 124.23 1m4p s MET 53 Ca 0.51 0.27 0.08 0.00 -1.25 0.00 0.00 55.69 55.30 1m4p s MET 53 Cb -0.27 -3.98 -0.03 0.00 2.84 0.00 0.00 34.83 33.38 1m4p s MET 53 CO 0.32 -1.54 0.25 0.54 -0.65 0.00 0.00 175.02 173.94 1m4p s ASN 54 N 2.75 4.90 0.16 1.11 4.22 0.58 0.19 114.94 128.85 1m4p s ASN 54 Ca 0.42 -0.74 0.09 0.00 -2.14 0.00 0.00 52.86 50.50 1m4p s ASN 54 Cb -0.08 -0.71 -0.04 0.00 1.28 0.00 0.00 41.25 41.70 1m4p s ASN 54 CO 0.27 -0.45 -0.15 -0.76 -2.04 0.00 0.00 177.10 173.97 1m4p s LEU 55 N -3.97 2.77 0.32 3.54 2.01 -0.34 0.13 118.68 123.14 1m4p s LEU 55 Ca 0.42 -0.64 0.07 0.00 0.01 0.00 0.00 54.13 53.99 1m4p s LEU 55 Cb -0.03 -1.52 -0.03 0.00 0.01 0.00 0.00 46.19 44.63 1m4p s LEU 55 CO 0.25 0.13 0.26 0.28 1.01 0.00 0.00 176.35 178.29 1m4p s THR 56 N -1.52 0.01 0.00 5.49 -1.32 0.22 -2.28 115.64 116.23 1m4p s THR 56 Ca 0.22 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.70 1m4p s THR 56 Cb -0.09 -2.50 0.00 0.00 -1.51 0.00 0.00 72.50 68.40 1m4p s THR 56 CO 0.12 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.14 1m4p n GLY 57 N -0.60 1.51 3.03 6.08 0.00 -1.26 0.99 105.19 114.94 1m4p n GLY 57 Ca 0.07 -2.26 -0.32 0.00 0.00 0.00 0.00 46.02 43.52 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 -1.38 2.04 0.53 2.61 -4.23 -1.18 -1.78 115.64 112.24 1m4p s THR 58 Ca 0.00 -1.65 -0.18 0.00 -1.18 0.00 0.00 61.69 58.68 1m4p s THR 58 Cb 0.00 -2.23 -0.07 0.00 1.34 0.00 0.00 72.50 71.55 1m4p s THR 58 CO 0.00 -0.13 1.04 0.27 -0.54 0.00 0.00 174.62 175.27 1m4p s ILE 59 N 1.14 3.84 -0.31 2.99 -4.36 0.62 -4.58 121.20 120.54 1m4p s ILE 59 Ca -0.06 1.02 -0.29 0.00 -0.26 0.00 0.00 60.65 61.07 1m4p s ILE 59 Cb -0.20 -3.44 -0.00 0.00 1.25 0.00 0.00 42.46 40.07 1m4p s ILE 59 CO -0.06 -0.37 1.36 -2.16 0.24 0.00 0.00 174.94 173.95 1m4p s PRO 60 N -3.61 3.84 -0.37 0.37 0.04 -1.26 -1.24 135.00 132.77 1m4p s PRO 60 Ca 0.65 1.24 -0.10 0.00 0.04 0.00 0.00 61.00 62.83 1m4p s PRO 60 Cb -0.16 -3.92 0.03 0.00 0.04 0.00 0.00 34.50 30.49 1m4p s PRO 60 CO 0.27 -1.22 0.19 0.08 0.04 0.00 0.00 177.00 176.36 1m4p s VAL 61 N 4.65 4.42 0.58 -0.36 1.01 -0.42 -4.92 120.40 125.35 1m4p s VAL 61 Ca 0.59 -0.92 -0.16 0.00 0.00 0.00 0.00 61.98 61.48 1m4p s VAL 61 Cb -0.17 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 1m4p s VAL 61 CO 0.25 -0.23 1.05 -2.16 0.00 0.00 0.00 175.10 174.01 1m4p s PRO 62 N 1.52 3.43 0.00 2.72 0.04 -1.26 -0.04 135.00 141.41 1m4p s PRO 62 Ca 0.01 1.18 0.00 0.00 0.04 0.00 0.00 61.00 62.23 1m4p s PRO 62 Cb -0.19 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.30 1m4p s PRO 62 CO 0.06 -0.72 0.00 0.98 0.04 0.00 0.00 177.00 177.36 1m4p n TYR 63 N -1.90 0.00 0.65 0.56 9.36 0.40 -4.64 117.16 121.59 1m4p n TYR 63 Ca 0.08 0.00 0.13 0.00 3.32 0.00 0.00 57.90 61.43 1m4p n TYR 63 Cb 0.53 0.00 0.46 0.00 -0.63 0.00 0.00 39.34 39.70 1m4p n TYR 63 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1m4p n ARG 64 N 0.00 0.19 0.00 2.98 1.74 -1.26 -4.41 116.66 115.89 1m4p n ARG 64 Ca 0.00 0.21 0.00 0.00 -0.77 0.00 0.00 57.85 57.29 1m4p n ARG 64 Cb 0.00 -1.74 0.00 0.00 -1.02 0.00 0.00 32.46 29.70 1m4p n ARG 64 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1m4p n GLY 65 N 1.05 -0.75 0.00 -0.13 0.00 -1.26 -5.16 105.19 98.94 1m4p n GLY 65 Ca 0.05 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.45 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 0.00 0.00 -3.52 1.61 0.23 -1.26 -5.14 115.26 107.18 1m4p n ASN 66 Ca 0.00 0.00 -0.22 0.00 -0.53 0.00 0.00 54.58 53.83 1m4p n ASN 66 Cb 0.00 0.00 -0.14 0.00 -2.08 0.00 0.00 39.78 37.56 1m4p n ASN 66 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1m4p s THR 67 N -2.00 -0.24 0.00 5.53 2.01 -1.26 0.15 115.64 119.83 1m4p s THR 67 Ca 0.00 -0.22 0.00 0.00 0.31 0.00 0.00 61.69 61.78 1m4p s THR 67 Cb 0.00 -0.70 0.00 0.00 0.01 0.00 0.00 72.50 71.81 1m4p s THR 67 CO 0.00 -0.30 0.00 -1.22 -0.69 0.00 0.00 174.62 172.41 1m4p n TYR 68 N 5.30 -2.35 -3.88 4.92 4.02 0.94 -4.75 117.16 121.36 1m4p n TYR 68 Ca -0.06 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.54 1m4p n TYR 68 Cb 0.48 0.00 -0.16 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 3.37 -0.15 7.72 0.01 -1.26 -1.31 114.94 122.33 1m4p s ASN 69 Ca 0.00 -0.96 -0.03 0.00 -0.71 0.00 0.00 52.86 51.16 1m4p s ASN 69 Cb 0.00 -0.98 -0.03 0.00 0.41 0.00 0.00 41.25 40.66 1m4p s ASN 69 CO 0.00 -0.24 -0.04 -0.51 -1.51 0.00 0.00 177.10 174.80 1m4p s ILE 70 N 1.56 3.84 0.71 0.60 1.10 -0.38 -4.89 121.20 123.75 1m4p s ILE 70 Ca -0.03 -0.38 -0.11 0.00 -0.51 0.00 0.00 60.65 59.62 1m4p s ILE 70 Cb -0.18 -2.67 0.02 0.00 0.15 0.00 0.00 42.46 39.78 1m4p s ILE 70 CO -0.07 0.51 1.07 -2.16 -2.11 0.00 0.00 174.94 172.17 1m4p s PRO 71 N 0.24 2.78 0.24 3.50 0.04 -1.26 -0.28 135.00 140.26 1m4p s PRO 71 Ca -0.03 0.90 0.01 0.00 0.04 0.00 0.00 61.00 61.92 1m4p s PRO 71 Cb -0.14 -1.98 -0.00 0.00 0.04 0.00 0.00 34.50 32.42 1m4p s PRO 71 CO 0.03 -1.20 0.29 1.51 0.04 0.00 0.00 177.00 177.68 1m4p n ILE 72 N -3.19 0.00 -3.30 0.56 0.13 -0.73 -4.32 119.36 108.51 1m4p n ILE 72 Ca 0.07 -1.41 0.03 0.00 -1.10 0.00 0.00 62.75 60.34 1m4p n ILE 72 Cb 0.54 0.80 -0.03 0.00 -0.84 0.00 0.00 39.64 40.11 1m4p n ILE 72 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1m4p s LEU 74 N 2.76 3.30 -0.81 0.00 2.01 -0.97 0.47 118.68 125.45 1m4p s LEU 74 Ca 0.03 -0.28 0.02 0.00 0.01 0.00 0.00 54.13 53.92 1m4p s LEU 74 Cb -0.10 -2.05 0.28 0.00 0.01 0.00 0.00 46.19 44.33 1m4p s LEU 74 CO -0.17 0.17 1.08 0.79 1.01 0.00 0.00 176.35 179.22 1m4p n TRP 75 N 0.53 3.15 -1.51 0.29 7.02 -0.93 -1.20 117.44 124.79 1m4p n TRP 75 Ca -0.12 -3.51 -0.52 0.00 -1.02 0.00 0.00 57.50 52.33 1m4p n TRP 75 Cb 0.52 -0.83 -0.07 0.00 -2.42 0.00 0.00 31.31 28.52 1m4p n TRP 75 CO 0.00 0.00 0.00 -0.11 -2.02 0.00 0.00 177.69 175.56 1m4p n LEU 76 N 0.87 2.30 0.00 -0.99 7.94 0.13 -3.99 117.00 123.26 1m4p n LEU 76 Ca 0.30 0.59 -0.03 0.00 -1.11 0.00 0.00 56.01 55.76 1m4p n LEU 76 Cb 0.37 -1.25 0.01 0.00 0.53 0.00 0.00 43.42 43.09 1m4p n LEU 76 CO 0.52 -0.60 0.07 0.18 -1.11 0.00 0.00 177.39 176.44 1m4p n LEU 77 N 8.68 0.00 -0.06 -1.96 4.77 -1.26 -3.47 117.00 123.70 1m4p n LEU 77 Ca 0.37 -0.30 -0.04 0.00 -0.03 0.00 0.00 56.01 56.01 1m4p n LEU 77 Cb 0.21 -0.08 -0.02 0.00 -2.33 0.00 0.00 43.42 41.21 1m4p n LEU 77 CO 0.77 -0.55 -0.09 0.44 -1.33 0.00 0.00 177.39 176.62 1m4p h ASP 78 N -0.05 0.00 0.00 -1.43 5.19 -1.95 -3.47 116.42 114.72 1m4p h ASP 78 Ca -0.04 -0.11 -0.16 0.00 -0.62 0.00 0.00 57.03 56.10 1m4p h ASP 78 Cb 0.16 0.00 -0.12 0.00 0.18 0.00 0.00 39.33 39.55 1m4p h ASP 78 CO 0.05 0.66 -0.12 1.07 -3.12 0.00 0.00 179.24 177.78 1m4p n THR 79 N -4.70 0.00 -3.49 0.35 5.66 -1.26 -4.38 114.28 106.46 1m4p n THR 79 Ca -0.04 -1.00 -0.14 0.00 -3.05 0.00 0.00 64.05 59.82 1m4p n THR 79 Cb 0.15 1.20 -0.04 0.00 -1.55 0.00 0.00 70.33 70.09 1m4p n THR 79 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 1m4p s TYR 80 N 0.13 -0.55 0.01 1.09 2.02 -1.26 -4.69 117.35 114.10 1m4p s TYR 80 Ca 0.20 0.61 -0.20 0.00 -0.37 0.00 0.00 57.07 57.31 1m4p s TYR 80 Cb 0.29 0.46 -0.22 0.00 -0.40 0.00 0.00 41.96 42.09 1m4p s TYR 80 CO -0.13 -0.73 1.13 -1.00 -1.57 0.00 0.00 175.55 173.25 1m4p h PRO 81 N 2.50 0.39 0.00 -1.71 0.13 -1.96 -3.38 132.00 127.97 1m4p h PRO 81 Ca -0.31 -0.39 0.00 0.00 -0.87 0.00 0.00 66.00 64.43 1m4p h PRO 81 Cb 1.23 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1m4p h PRO 81 CO 0.39 1.05 -0.75 0.66 -0.23 0.00 0.00 178.00 179.12 1m4p n TYR 82 N -4.28 0.00 0.00 1.56 4.02 -1.26 -5.00 117.16 112.20 1m4p n TYR 82 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.79 1m4p n TYR 82 Cb 0.62 -0.06 0.00 0.00 -0.02 0.00 0.00 39.34 39.88 1m4p n TYR 82 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1m4p n ASN 83 N -1.41 0.00 -4.62 7.72 5.15 -1.26 -5.10 115.26 115.74 1m4p n ASN 83 Ca -0.00 0.00 -0.43 0.00 -0.60 0.00 0.00 54.58 53.55 1m4p n ASN 83 Cb 0.11 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.34 1m4p n ASN 83 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1m4p s PRO 84 N 0.00 3.79 0.00 1.20 0.04 -1.26 -4.73 135.00 134.04 1m4p s PRO 84 Ca 0.00 1.18 0.00 0.00 0.04 0.00 0.00 61.00 62.22 1m4p s PRO 84 Cb 0.00 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.60 1m4p s PRO 84 CO 0.00 -1.29 0.00 -0.35 0.04 0.00 0.00 177.00 175.40 1m4p n PRO 85 N 7.60 0.63 -2.87 0.56 -0.04 -1.26 -4.21 135.00 135.41 1m4p n PRO 85 Ca 0.16 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.26 1m4p n PRO 85 Cb 0.47 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.86 1m4p n PRO 85 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1m4p s ILE 86 N -0.25 4.35 -0.17 0.52 1.01 -1.26 -4.93 121.20 120.48 1m4p s ILE 86 Ca 0.00 1.59 -0.03 0.00 0.00 0.00 0.00 60.65 62.21 1m4p s ILE 86 Cb 0.00 -3.87 -0.02 0.00 0.01 0.00 0.00 42.46 38.58 1m4p s ILE 86 CO 0.00 0.03 -0.04 0.00 0.00 0.00 0.00 174.94 174.93 1m4p s PHE 88 N 0.69 1.20 0.02 0.00 0.40 0.18 -2.97 117.98 117.51 1m4p s PHE 88 Ca -0.02 -1.39 0.02 0.00 -0.60 0.00 0.00 56.93 54.94 1m4p s PHE 88 Cb -0.15 -0.57 -0.02 0.00 0.51 0.00 0.00 43.02 42.79 1m4p s PHE 88 CO 0.02 -0.65 -0.08 0.54 0.70 0.00 0.00 175.22 175.75 1m4p s VAL 89 N -4.11 0.60 -0.67 -0.44 0.11 0.15 -0.27 120.40 115.76 1m4p s VAL 89 Ca 0.39 -0.73 0.05 0.00 -2.93 0.00 0.00 61.98 58.76 1m4p s VAL 89 Cb 0.07 -0.58 0.19 0.00 -1.53 0.00 0.00 36.38 34.52 1m4p s VAL 89 CO 0.13 -0.12 0.53 0.29 -3.33 0.00 0.00 175.10 172.61 1m4p n LYS 90 N 2.12 1.82 -1.55 1.54 4.76 -1.25 -4.74 118.16 120.86 1m4p n LYS 90 Ca -0.18 -4.40 -0.30 0.00 -2.87 0.00 0.00 58.31 50.56 1m4p n LYS 90 Cb 0.56 -2.21 0.09 0.00 -1.84 0.00 0.00 35.03 31.63 1m4p n LYS 90 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1m4p s PRO 91 N -1.54 2.13 0.00 1.97 0.04 -1.26 -4.62 135.00 131.72 1m4p s PRO 91 Ca 0.29 0.66 0.00 0.00 0.04 0.00 0.00 61.00 61.99 1m4p s PRO 91 Cb 0.00 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.62 1m4p s PRO 91 CO -0.14 -1.59 0.00 0.25 0.04 0.00 0.00 177.00 175.55 1m4p n THR 92 N -3.42 0.00 0.02 1.26 -2.24 -1.26 -5.00 114.28 103.64 1m4p n THR 92 Ca 0.07 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.65 1m4p n THR 92 Cb 0.56 -1.78 -0.14 0.00 -2.10 0.00 0.00 70.33 66.87 1m4p n THR 92 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1m4p h SER 93 N 0.00 0.41 1.10 3.42 0.02 -2.04 -3.32 113.55 113.14 1m4p h SER 93 Ca 0.00 -0.82 0.00 0.00 -0.84 0.00 0.00 61.79 60.13 1m4p h SER 93 Cb 0.00 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.41 1m4p h SER 93 CO 0.00 1.72 0.00 0.28 -1.14 0.00 0.00 176.83 177.69 1m4p h SER 94 N 0.07 0.00 -3.48 3.07 0.02 -2.00 -3.44 113.55 107.79 1m4p h SER 94 Ca -0.38 0.00 -0.41 0.00 -0.84 0.00 0.00 61.79 60.16 1m4p h SER 94 Cb 2.04 0.00 0.20 0.00 0.14 0.00 0.00 62.40 64.78 1m4p h SER 94 CO 0.11 0.00 0.15 -0.04 -1.14 0.00 0.00 176.83 175.91 1m4p s MET 95 N -3.38 -1.35 -0.29 3.45 1.00 -1.25 -3.80 119.30 113.67 1m4p s MET 95 Ca 0.05 -0.19 0.04 0.00 0.00 0.00 0.00 55.69 55.58 1m4p s MET 95 Cb 0.09 -1.59 0.18 0.00 0.00 0.00 0.00 34.83 33.50 1m4p s MET 95 CO 0.51 -3.78 0.48 0.99 0.00 0.00 0.00 175.02 173.22 1m4p s THR 96 N -3.09 -0.77 0.56 2.05 2.01 -1.15 -4.91 115.64 110.35 1m4p s THR 96 Ca 0.72 -0.19 -0.18 0.00 0.31 0.00 0.00 61.69 62.35 1m4p s THR 96 Cb -0.08 -0.99 -0.11 0.00 0.01 0.00 0.00 72.50 71.34 1m4p s THR 96 CO 0.56 -0.18 0.27 -0.38 -0.69 0.00 0.00 174.62 174.20 1m4p n ILE 97 N 5.36 1.41 -3.57 1.82 5.41 -1.26 -3.51 119.36 125.01 1m4p n ILE 97 Ca 0.02 -0.49 -0.30 0.00 1.00 0.00 0.00 62.75 62.98 1m4p n ILE 97 Cb 0.51 -0.43 -0.08 0.00 -0.71 0.00 0.00 39.64 38.92 1m4p n ILE 97 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 1m4p n LYS 98 N 0.50 2.50 -1.79 0.38 0.00 -0.82 -4.87 118.16 114.07 1m4p n LYS 98 Ca 0.10 -4.58 -0.41 0.00 0.00 0.00 0.00 58.31 53.42 1m4p n LYS 98 Cb 0.48 -2.32 -0.00 0.00 0.00 0.00 0.00 35.03 33.19 1m4p n LYS 98 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1m4p s THR 99 N -2.01 2.02 0.00 3.15 -4.23 -1.26 -4.28 115.64 109.03 1m4p s THR 99 Ca 0.32 0.02 0.00 0.00 -1.18 0.00 0.00 61.69 60.86 1m4p s THR 99 Cb 0.04 -3.02 0.00 0.00 1.34 0.00 0.00 72.50 70.87 1m4p s THR 99 CO -0.07 0.01 0.00 0.61 -0.54 0.00 0.00 174.62 174.62 1m4p n GLY 100 N 0.76 -0.69 2.37 3.99 0.00 -0.81 -4.91 105.19 105.89 1m4p n GLY 100 Ca 0.02 0.04 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 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 2.29 0.19 1.61 4.76 -1.26 -4.16 118.16 121.59 1m4p n LYS 101 Ca 0.00 -2.25 0.00 0.00 -2.87 0.00 0.00 58.31 53.19 1m4p n LYS 101 Cb 0.00 -2.04 0.00 0.00 -1.84 0.00 0.00 35.03 31.15 1m4p n LYS 101 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1m4p n HIS 102 N 0.66 -4.27 -3.86 2.13 8.25 -1.26 -5.07 115.22 111.80 1m4p n HIS 102 Ca 0.46 1.28 -0.21 0.00 -0.26 0.00 0.00 57.72 58.99 1m4p n HIS 102 Cb 0.55 3.29 -0.02 0.00 1.12 0.00 0.00 29.99 34.93 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 4.73 -0.03 1.59 1.01 -1.26 -1.78 120.40 122.66 1m4p s VAL 103 Ca 0.00 -1.08 -0.04 0.00 0.00 0.00 0.00 61.98 60.85 1m4p s VAL 103 Cb 0.00 -3.63 -0.01 0.00 0.00 0.00 0.00 36.38 32.73 1m4p s VAL 103 CO 0.00 -0.28 -0.08 -0.67 0.00 0.00 0.00 175.10 174.07 1m4p n ASP 104 N -1.43 0.56 0.00 3.32 -0.08 -1.25 -1.93 116.55 115.74 1m4p n ASP 104 Ca -0.06 0.09 0.00 0.00 -1.51 0.00 0.00 54.79 53.31 1m4p n ASP 104 Cb 0.58 -0.44 0.00 0.00 2.34 0.00 0.00 41.12 43.59 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 -3.05 0.00 0.20 -1.67 0.00 -1.26 -4.61 120.51 110.12 1m4p n ALA 105 Ca -0.03 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.48 1m4p n ALA 105 Cb 0.12 0.00 0.37 0.00 0.00 0.00 0.00 19.45 19.94 1m4p n ALA 105 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1m4p h ASN 106 N 0.00 0.00 0.00 0.00 4.21 -1.99 -3.46 115.58 114.33 1m4p h ASN 106 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1m4p h ASN 106 Cb 0.00 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.20 1m4p h ASN 106 CO 0.00 0.33 0.00 0.61 -1.29 0.00 0.00 177.43 177.08 1m4p n GLY 107 N 0.23 0.88 3.75 2.83 0.00 -1.26 -4.89 105.19 106.73 1m4p n GLY 107 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 1m4p n GLY 107 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1m4p s LYS 108 N -0.34 4.10 0.24 1.61 2.20 -1.26 0.30 119.74 126.58 1m4p s LYS 108 Ca 0.00 -0.16 -0.31 0.00 -0.36 0.00 0.00 55.97 55.14 1m4p s LYS 108 Cb 0.00 -3.39 -0.13 0.00 -1.51 0.00 0.00 37.83 32.80 1m4p s LYS 108 CO 0.00 0.36 1.51 -0.89 -0.36 0.00 0.00 175.35 175.97 1m4p n ILE 109 N 3.31 0.76 -3.62 5.43 -0.00 -1.16 -3.80 119.36 120.27 1m4p n ILE 109 Ca -0.16 -0.19 -0.37 0.00 -0.00 0.00 0.00 62.75 62.03 1m4p n ILE 109 Cb 0.52 -1.66 -0.06 0.00 -0.00 0.00 0.00 39.64 38.44 1m4p n ILE 109 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.55 176.08 1m4p s TYR 110 N 0.19 3.83 0.01 1.39 5.04 -0.73 -4.94 117.35 122.14 1m4p s TYR 110 Ca 0.69 -2.93 -0.25 0.00 -2.44 0.00 0.00 57.07 52.14 1m4p s TYR 110 Cb -0.60 -3.29 0.06 0.00 0.35 0.00 0.00 41.96 38.48 1m4p s TYR 110 CO 0.46 -0.77 0.58 -0.51 -1.34 0.00 0.00 175.55 173.97 1m4p s LEU 111 N -1.08 -0.30 0.00 6.97 1.02 -1.26 -4.66 118.68 119.36 1m4p s LEU 111 Ca 0.26 0.37 -0.03 0.00 0.02 0.00 0.00 54.13 54.75 1m4p s LEU 111 Cb -0.10 2.28 -0.15 0.00 0.02 0.00 0.00 46.19 48.25 1m4p s LEU 111 CO -0.11 -0.68 2.48 -0.81 0.02 0.00 0.00 176.35 177.25 1m4p n PRO 112 N 0.60 1.29 -0.36 1.29 -0.04 -1.26 -4.52 135.00 132.00 1m4p n PRO 112 Ca -0.19 -0.55 0.28 0.00 -0.04 0.00 0.00 63.50 63.01 1m4p n PRO 112 Cb 0.59 -1.67 0.57 0.00 -0.04 0.00 0.00 33.50 32.95 1m4p n PRO 112 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1m4p h TYR 113 N 3.21 0.58 0.13 0.54 -1.99 -1.96 0.99 116.97 118.47 1m4p h TYR 113 Ca 0.10 0.02 -0.21 0.00 2.00 0.00 0.00 58.73 60.65 1m4p h TYR 113 Cb 1.03 -0.16 0.02 0.00 2.00 0.00 0.00 36.73 39.63 1m4p h TYR 113 CO 1.24 -0.03 -0.89 1.25 -0.00 0.00 0.00 178.16 179.74 1m4p h LEU 114 N 0.27 0.55 -3.65 3.88 7.12 -1.96 -3.27 115.31 118.25 1m4p h LEU 114 Ca 0.66 -0.91 -0.46 0.00 0.13 0.00 0.00 57.88 57.30 1m4p h LEU 114 Cb 1.89 -0.18 -0.21 0.00 -0.53 0.00 0.00 40.66 41.62 1m4p h LEU 114 CO -0.32 1.42 0.60 1.57 -0.13 0.00 0.00 178.44 181.57 1m4p n HIS 115 N -4.07 2.32 0.00 1.25 -0.00 0.12 -4.27 115.22 110.57 1m4p n HIS 115 Ca -0.14 -2.22 0.00 0.00 0.46 0.00 0.00 57.72 55.82 1m4p n HIS 115 Cb 0.84 -1.08 0.00 0.00 -0.12 0.00 0.00 29.99 29.63 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 -0.37 0.00 0.00 1.57 2.13 0.30 -4.88 120.64 119.40 1m4p n GLU 116 Ca 0.45 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.27 1m4p n GLU 116 Cb 0.81 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.52 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 -0.60 0.00 -4.13 4.31 -0.00 -1.24 -4.86 117.44 110.92 1m4p n TRP 117 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 57.50 57.17 1m4p n TRP 117 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 31.31 31.29 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 -0.40 -3.27 -0.19 5.87 4.81 -1.26 -4.82 118.16 118.91 1m4p n LYS 118 Ca 0.00 0.39 -0.02 0.00 -0.87 0.00 0.00 58.31 57.81 1m4p n LYS 118 Cb 0.00 -4.90 0.09 0.00 0.02 0.00 0.00 35.03 30.23 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 -1.64 0.40 -0.04 5.64 2.76 -1.95 -3.45 115.15 116.87 1m4p h HIS 119 Ca -0.60 0.03 -0.15 0.00 -2.20 0.00 0.00 60.37 57.44 1m4p h HIS 119 Cb 1.38 -0.10 0.01 0.00 1.55 0.00 0.00 27.41 30.26 1m4p h HIS 119 CO 0.59 0.13 -0.57 -1.00 -1.30 0.00 0.00 177.93 175.77 1m4p h PRO 120 N 0.42 0.45 0.00 5.26 0.13 -2.00 -3.49 132.00 132.78 1m4p h PRO 120 Ca 0.27 -0.44 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 1m4p h PRO 120 Cb 0.29 0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.54 1m4p h PRO 120 CO -0.26 1.09 0.00 0.94 -0.23 0.00 0.00 178.00 179.54 1m4p n GLN 121 N -4.22 0.00 -1.12 0.86 0.00 -1.26 -4.78 117.38 106.86 1m4p n GLN 121 Ca -0.10 0.00 -0.36 0.00 -0.00 0.00 0.00 57.00 56.54 1m4p n GLN 121 Cb 0.65 0.00 -0.01 0.00 0.00 0.00 0.00 30.24 30.88 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 0.36 -2.20 -4.46 1.69 2.88 -1.26 -4.97 113.62 105.67 1m4p n SER 122 Ca 0.00 0.74 -0.22 0.00 -1.33 0.00 0.00 58.87 58.06 1m4p n SER 122 Cb 0.00 -0.76 -0.11 0.00 -0.75 0.00 0.00 64.21 62.60 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 -0.85 2.49 0.31 -3.46 1.01 -1.26 -4.92 116.67 109.99 1m4p s ASP 123 Ca 0.51 -1.36 0.02 0.00 0.71 0.00 0.00 52.55 52.43 1m4p s ASP 123 Cb -0.58 -0.11 0.76 0.00 1.01 0.00 0.00 42.92 44.00 1m4p s ASP 123 CO 0.52 -0.58 1.54 -0.11 0.21 0.00 0.00 175.17 176.75 1m4p n LEU 124 N -0.70 -0.10 0.01 1.23 7.94 -1.26 0.18 117.00 124.30 1m4p n LEU 124 Ca -0.03 1.67 -0.12 0.00 -1.11 0.00 0.00 56.01 56.42 1m4p n LEU 124 Cb 0.66 -0.61 -0.08 0.00 0.53 0.00 0.00 43.42 43.92 1m4p n LEU 124 CO 0.43 -1.69 0.76 -0.07 -1.11 0.00 0.00 177.39 175.70 1m4p h LEU 125 N 0.00 0.03 -1.93 -1.96 4.07 -1.95 -2.57 115.31 111.00 1m4p h LEU 125 Ca 0.60 -0.24 0.01 0.00 0.08 0.00 0.00 57.88 58.33 1m4p h LEU 125 Cb 1.25 -0.01 -0.00 0.00 1.08 0.00 0.00 40.66 42.98 1m4p h LEU 125 CO -0.92 0.26 0.07 1.23 -1.08 0.00 0.00 178.44 178.00 1m4p h GLY 126 N -0.21 0.11 1.01 0.83 0.00 0.97 -1.89 103.07 103.89 1m4p h GLY 126 Ca 0.01 -0.04 -0.04 0.00 0.00 0.00 0.00 47.33 47.26 1m4p h GLY 126 CO 0.00 0.04 -0.40 -2.00 0.00 0.00 0.00 176.54 174.18 1m4p h LEU 127 N 0.10 -0.96 -2.48 3.11 6.46 0.23 0.01 115.31 121.78 1m4p h LEU 127 Ca 0.04 0.03 0.02 0.00 -0.12 0.00 0.00 57.88 57.85 1m4p h LEU 127 Cb 0.04 0.25 -0.00 0.00 -0.73 0.00 0.00 40.66 40.21 1m4p h LEU 127 CO -0.01 -0.68 0.09 0.40 -0.62 0.00 0.00 178.44 177.63 1m4p h ILE 128 N -1.12 0.34 -0.27 4.05 2.04 -1.15 0.24 117.51 121.64 1m4p h ILE 128 Ca -0.11 0.00 -0.15 0.00 1.00 0.00 0.00 64.86 65.60 1m4p h ILE 128 Cb 0.86 0.92 -0.00 0.00 -0.74 0.00 0.00 36.82 37.86 1m4p h ILE 128 CO 0.18 0.00 -0.41 -0.61 0.00 0.00 0.00 178.15 177.31 1m4p h GLN 129 N 0.00 0.76 -0.76 2.37 4.15 -0.47 -0.89 115.11 120.26 1m4p h GLN 129 Ca 0.03 -0.45 -0.01 0.00 0.77 0.00 0.00 58.65 58.98 1m4p h GLN 129 Cb 0.22 0.04 -0.04 0.00 0.21 0.00 0.00 27.48 27.91 1m4p h GLN 129 CO -0.00 1.08 0.43 0.28 -1.93 0.00 0.00 178.83 178.69 1m4p h VAL 130 N 0.50 1.23 -0.46 2.39 2.07 0.91 -1.81 116.25 121.08 1m4p h VAL 130 Ca 0.03 -0.54 -0.12 0.00 0.82 0.00 0.00 66.70 66.88 1m4p h VAL 130 Cb 1.01 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 1m4p h VAL 130 CO 0.10 0.25 -0.18 0.24 0.02 0.00 0.00 177.57 177.99 1m4p h MET 131 N 1.05 0.90 -0.14 1.57 2.86 -1.38 -0.30 114.93 119.49 1m4p h MET 131 Ca 0.27 -0.36 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1m4p h MET 131 Cb 0.01 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 1m4p h MET 131 CO -0.05 1.00 0.09 0.82 1.06 0.00 0.00 176.91 179.84 1m4p h ILE 132 N 0.79 1.04 0.19 -1.22 2.04 -0.60 1.52 117.51 121.26 1m4p h ILE 132 Ca 0.11 -0.07 -0.26 0.00 1.00 0.00 0.00 64.86 65.65 1m4p h ILE 132 Cb 0.73 0.83 0.03 0.00 -0.74 0.00 0.00 36.82 37.67 1m4p h ILE 132 CO 0.06 0.03 -1.12 0.58 0.00 0.00 0.00 178.15 177.70 1m4p h VAL 133 N 0.19 1.40 -0.12 1.67 2.07 -0.89 -1.91 116.25 118.66 1m4p h VAL 133 Ca 0.05 -2.60 -0.02 0.00 0.82 0.00 0.00 66.70 64.95 1m4p h VAL 133 Cb -0.02 3.12 -0.00 0.00 -1.52 0.00 0.00 31.29 32.86 1m4p h VAL 133 CO -0.01 0.76 -0.01 0.58 0.02 0.00 0.00 177.57 178.91 1m4p h VAL 134 N -0.12 1.27 -0.44 2.57 2.07 -0.18 -2.40 116.25 119.02 1m4p h VAL 134 Ca -0.19 -0.87 -0.17 0.00 0.82 0.00 0.00 66.70 66.28 1m4p h VAL 134 Cb 1.88 1.61 -0.10 0.00 -1.52 0.00 0.00 31.29 33.17 1m4p h VAL 134 CO 0.21 0.25 0.21 0.49 0.02 0.00 0.00 177.57 178.76 1m4p n PHE 135 N -4.77 1.43 -0.00 1.57 3.01 0.51 -3.77 117.46 115.44 1m4p n PHE 135 Ca -0.06 -0.89 -0.00 0.00 1.01 0.00 0.00 57.45 57.51 1m4p n PHE 135 Cb 0.22 -0.50 -0.00 0.00 -0.01 0.00 0.00 39.48 39.18 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 -0.10 -0.01 0.00 1.37 0.00 -0.72 -4.72 105.19 101.01 1m4p n GLY 136 Ca 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 -2.29 0.00 -4.99 1.61 8.00 -0.93 -4.55 116.55 113.40 1m4p n ASP 137 Ca -0.01 0.68 -0.19 0.00 0.71 0.00 0.00 54.79 55.98 1m4p n ASP 137 Cb 0.51 -0.50 0.01 0.00 -0.02 0.00 0.00 41.12 41.12 1m4p n ASP 137 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1m4p s GLU 138 N -1.73 2.98 -0.33 -1.24 8.01 -1.26 -4.99 118.70 120.15 1m4p s GLU 138 Ca 0.00 -0.94 -0.29 0.00 0.01 0.00 0.00 54.97 53.75 1m4p s GLU 138 Cb 0.00 -2.72 0.00 0.00 -4.31 0.00 0.00 34.13 27.10 1m4p s GLU 138 CO 0.00 -0.16 1.37 -1.25 0.01 0.00 0.00 175.26 175.23 1m4p s PRO 139 N -4.35 3.78 0.25 0.39 0.04 -1.26 -4.66 135.00 129.19 1m4p s PRO 139 Ca 0.49 1.17 0.11 0.00 0.04 0.00 0.00 61.00 62.81 1m4p s PRO 139 Cb -0.10 -3.94 0.23 0.00 0.04 0.00 0.00 34.50 30.73 1m4p s PRO 139 CO 0.34 -1.30 1.53 -1.00 0.04 0.00 0.00 177.00 176.61 1m4p h PRO 140 N 9.92 0.00 0.00 0.56 0.13 -1.89 -3.41 132.00 137.31 1m4p h PRO 140 Ca -0.27 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.70 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 0.67 -0.13 1.55 -0.23 0.00 0.00 178.00 180.91 1m4p n VAL 141 N -3.59 0.00 -1.71 1.56 3.14 -1.26 -1.94 118.33 114.52 1m4p n VAL 141 Ca -0.00 -0.98 -0.43 0.00 -2.96 0.00 0.00 64.34 59.97 1m4p n VAL 141 Cb 0.70 1.24 -0.02 0.00 -1.06 0.00 0.00 33.84 34.70 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 0.54 2.53 -2.92 1.45 -1.74 -1.23 -4.09 117.46 112.00 1m4p n PHE 142 Ca -0.01 0.38 -0.18 0.00 -0.56 0.00 0.00 57.45 57.08 1m4p n PHE 142 Cb 0.73 -2.51 0.03 0.00 1.52 0.00 0.00 39.48 39.24 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 0.24 5.45 0.30 5.98 0.15 -1.26 -2.91 113.70 121.65 1m4p s SER 143 Ca 0.63 -0.40 -0.03 0.00 0.70 0.00 0.00 55.95 56.85 1m4p s SER 143 Cb -0.56 -0.54 -0.04 0.00 -1.71 0.00 0.00 66.02 63.17 1m4p s SER 143 CO 0.52 -0.96 0.54 0.00 1.20 0.00 0.00 173.24 174.55 1m4p s ARG 144 N -4.51 3.58 0.00 5.44 1.70 -1.25 -4.98 118.95 118.94 1m4p s ARG 144 Ca 0.57 -0.11 0.24 0.00 -0.47 0.00 0.00 55.73 55.95 1m4p s ARG 144 Cb -0.09 -2.66 1.43 0.00 -0.57 0.00 0.00 34.95 33.06 1m4p s ARG 144 CO 0.35 0.20 1.80 -0.35 -1.08 0.00 0.00 175.30 176.22