#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m4p h VAL 3 N 0.00 0.93 0.86 0.00 3.04 -2.05 -0.68 116.25 118.34 1m4p h VAL 3 Ca 0.00 -0.27 -0.04 0.00 -1.01 0.00 0.00 66.70 65.38 1m4p h VAL 3 Cb 0.00 0.07 0.01 0.00 -2.01 0.00 0.00 31.29 29.35 1m4p h VAL 3 CO 0.00 0.14 -0.41 0.28 -1.01 0.00 0.00 177.57 176.57 1m4p h SER 4 N 0.79 -0.98 -0.93 3.17 0.02 -2.01 -2.16 113.55 111.46 1m4p h SER 4 Ca 0.38 0.03 0.26 0.00 -0.84 0.00 0.00 61.79 61.62 1m4p h SER 4 Cb 0.32 0.25 -0.16 0.00 0.14 0.00 0.00 62.40 62.95 1m4p h SER 4 CO -0.23 -0.62 0.13 -0.33 -1.14 0.00 0.00 176.83 174.63 1m4p h GLU 5 N -1.30 0.08 -0.97 3.45 4.39 -1.89 1.76 114.58 120.10 1m4p h GLU 5 Ca -0.12 -0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.61 1m4p h GLU 5 Cb 0.88 -0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 29.46 1m4p h GLU 5 CO 0.19 0.05 0.64 0.77 -1.16 0.00 0.00 179.01 179.50 1m4p h SER 6 N 0.08 1.07 0.22 1.42 0.02 -0.98 0.11 113.55 115.49 1m4p h SER 6 Ca 0.58 -0.01 -0.26 0.00 -0.84 0.00 0.00 61.79 61.26 1m4p h SER 6 Cb 1.21 -0.25 0.01 0.00 0.14 0.00 0.00 62.40 63.51 1m4p h SER 6 CO -0.79 0.74 -1.07 -0.61 -1.14 0.00 0.00 176.83 173.96 1m4p h GLN 7 N 1.24 0.53 -0.05 3.45 5.75 0.25 -2.70 115.11 123.58 1m4p h GLN 7 Ca 0.38 -0.62 0.02 0.00 -0.15 0.00 0.00 58.65 58.28 1m4p h GLN 7 Cb -0.03 0.19 -0.02 0.00 1.07 0.00 0.00 27.48 28.69 1m4p h GLN 7 CO -0.11 1.24 -0.06 1.25 -2.65 0.00 0.00 178.83 178.50 1m4p h LEU 8 N 0.27 -0.17 -1.60 -2.39 5.85 0.26 1.21 115.31 118.75 1m4p h LEU 8 Ca -0.12 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 1m4p h LEU 8 Cb 1.72 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.82 1m4p h LEU 8 CO 0.20 -0.08 0.17 0.50 -0.34 0.00 0.00 178.44 178.88 1m4p h LYS 9 N -0.08 0.44 0.00 1.25 3.64 -0.87 0.24 116.57 121.19 1m4p h LYS 9 Ca 0.04 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1m4p h LYS 9 Cb 0.13 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1m4p h LYS 9 CO -0.09 0.33 -0.13 1.63 -2.27 0.00 0.00 179.45 178.91 1m4p n LYS 10 N -4.45 0.17 -0.21 1.90 5.02 -0.39 -2.87 118.16 117.33 1m4p n LYS 10 Ca 0.02 0.12 0.07 0.00 -2.02 0.00 0.00 58.31 56.50 1m4p n LYS 10 Cb 0.10 -1.68 0.20 0.00 -0.02 0.00 0.00 35.03 33.64 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 -1.96 2.00 0.00 1.97 2.81 0.41 -4.77 117.12 117.57 1m4p n MET 11 Ca 0.06 -1.55 0.00 0.00 -1.81 0.00 0.00 57.70 54.40 1m4p n MET 11 Cb 0.40 -1.34 0.00 0.00 -0.71 0.00 0.00 33.22 31.56 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 0.76 0.00 0.00 2.03 0.24 -1.07 -4.87 118.33 115.42 1m4p n VAL 12 Ca 0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.45 1m4p n VAL 12 Cb 0.37 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.74 1m4p n VAL 12 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1m4p n SER 13 N 0.00 0.00 -0.12 -1.34 2.88 -1.14 -4.31 113.62 109.60 1m4p n SER 13 Ca 0.00 0.00 0.27 0.00 -1.33 0.00 0.00 58.87 57.81 1m4p n SER 13 Cb 0.00 0.00 0.62 0.00 -0.75 0.00 0.00 64.21 64.08 1m4p n SER 13 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1m4p h LYS 14 N 0.00 0.00 -6.21 -1.46 3.64 -1.94 -3.39 116.57 107.21 1m4p h LYS 14 Ca 0.00 0.00 -0.71 0.00 -1.27 0.00 0.00 60.65 58.67 1m4p h LYS 14 Cb 0.00 0.00 0.04 0.00 -0.41 0.00 0.00 32.23 31.86 1m4p h LYS 14 CO 0.00 0.00 0.65 0.66 -2.27 0.00 0.00 179.45 178.49 1m4p n TYR 15 N -3.56 1.75 -0.32 1.91 4.02 -1.26 -4.76 117.16 114.93 1m4p n TYR 15 Ca 0.18 0.60 0.30 0.00 -0.01 0.00 0.00 57.90 58.96 1m4p n TYR 15 Cb 1.14 -2.39 0.56 0.00 -0.02 0.00 0.00 39.34 38.63 1m4p n TYR 15 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1m4p n LYS 16 N 3.80 -0.06 -3.22 -0.72 5.02 -0.96 -1.42 118.16 120.60 1m4p n LYS 16 Ca 0.22 1.39 -0.24 0.00 -2.02 0.00 0.00 58.31 57.66 1m4p n LYS 16 Cb 0.16 -2.46 -0.06 0.00 -0.02 0.00 0.00 35.03 32.65 1m4p n LYS 16 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1m4p n TYR 17 N -5.28 1.54 -0.01 2.13 4.01 -1.26 -4.95 117.16 113.35 1m4p n TYR 17 Ca 0.36 -3.85 -0.10 0.00 -0.16 0.00 0.00 57.90 54.16 1m4p n TYR 17 Cb 1.23 -0.44 -0.04 0.00 -0.31 0.00 0.00 39.34 39.78 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 3.72 -0.36 0.47 -0.72 2.43 -1.44 1.42 114.38 119.91 1m4p h ARG 18 Ca 0.12 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.31 1m4p h ARG 18 Cb 0.78 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.39 1m4p h ARG 18 CO 0.63 -0.24 -0.43 0.22 -1.51 0.00 0.00 179.97 178.64 1m4p h ASP 19 N -0.38 -1.15 -0.99 -3.80 1.82 -1.92 1.47 116.42 111.48 1m4p h ASP 19 Ca 0.10 0.09 0.18 0.00 -0.39 0.00 0.00 57.03 57.01 1m4p h ASP 19 Cb 0.54 0.38 -0.10 0.00 0.68 0.00 0.00 39.33 40.83 1m4p h ASP 19 CO -0.36 -0.60 0.61 0.25 -1.61 0.00 0.00 179.24 177.54 1m4p h LEU 20 N -0.90 0.74 0.53 2.28 5.85 -1.85 1.26 115.31 123.21 1m4p h LEU 20 Ca -0.05 0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 1m4p h LEU 20 Cb 0.79 -0.06 0.01 0.00 0.37 0.00 0.00 40.66 41.76 1m4p h LEU 20 CO -0.04 0.29 -0.25 0.74 -0.34 0.00 0.00 178.44 178.84 1m4p h THR 21 N 0.73 0.12 -0.89 1.05 2.02 0.30 0.59 112.91 116.83 1m4p h THR 21 Ca 0.55 -0.48 0.12 0.00 0.77 0.00 0.00 66.41 67.36 1m4p h THR 21 Cb 0.89 0.17 -0.08 0.00 -1.74 0.00 0.00 68.15 67.39 1m4p h THR 21 CO -0.32 0.02 0.52 0.58 0.37 0.00 0.00 175.52 176.69 1m4p h VAL 22 N -1.14 0.85 -0.16 3.16 2.07 0.27 1.06 116.25 122.36 1m4p h VAL 22 Ca -0.07 -0.27 -0.07 0.00 0.82 0.00 0.00 66.70 67.11 1m4p h VAL 22 Cb 0.58 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 1m4p h VAL 22 CO 0.12 0.15 -0.21 -0.09 0.02 0.00 0.00 177.57 177.56 1m4p h ARG 23 N 0.80 0.28 0.08 1.57 2.43 0.16 0.23 114.38 119.92 1m4p h ARG 23 Ca 0.46 -0.08 -0.20 0.00 -0.81 0.00 0.00 59.98 59.34 1m4p h ARG 23 Cb 0.52 -0.03 0.02 0.00 -0.42 0.00 0.00 29.97 30.06 1m4p h ARG 23 CO -0.29 0.48 -0.84 0.93 -1.51 0.00 0.00 179.97 178.73 1m4p h GLU 24 N 0.25 0.43 -0.09 0.20 3.07 0.19 -1.73 114.58 116.92 1m4p h GLU 24 Ca 0.04 -0.57 -0.01 0.00 -0.50 0.00 0.00 59.36 58.33 1m4p h GLU 24 Cb 0.52 0.19 -0.00 0.00 -0.84 0.00 0.00 28.75 28.61 1m4p h GLU 24 CO 0.03 1.22 0.02 1.15 -1.40 0.00 0.00 179.01 180.04 1m4p h THR 25 N -0.09 1.19 -0.62 1.13 2.02 0.12 -2.11 112.91 114.54 1m4p h THR 25 Ca -0.13 -0.59 -0.04 0.00 0.77 0.00 0.00 66.41 66.43 1m4p h THR 25 Cb 1.58 1.42 -0.03 0.00 -1.74 0.00 0.00 68.15 69.39 1m4p h THR 25 CO 0.16 0.17 0.23 -0.37 0.37 0.00 0.00 175.52 176.08 1m4p h VAL 26 N -0.07 1.22 -0.59 3.16 -1.51 -0.66 -2.14 116.25 115.67 1m4p h VAL 26 Ca 0.03 -0.72 0.07 0.00 -1.23 0.00 0.00 66.70 64.85 1m4p h VAL 26 Cb 0.24 0.50 -0.06 0.00 -2.13 0.00 0.00 31.29 29.84 1m4p h VAL 26 CO 0.00 0.28 0.26 0.78 -1.23 0.00 0.00 177.57 177.67 1m4p h ASN 27 N 0.90 0.33 0.31 4.19 4.21 -1.03 1.47 115.58 125.95 1m4p h ASN 27 Ca 0.21 0.05 -0.01 0.00 1.21 0.00 0.00 56.30 57.76 1m4p h ASN 27 Cb 0.20 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.40 1m4p h ASN 27 CO -0.02 0.21 -0.18 0.58 -1.29 0.00 0.00 177.43 176.73 1m4p h VAL 28 N 0.49 0.00 -0.30 2.81 2.07 -0.74 0.23 116.25 120.80 1m4p h VAL 28 Ca 0.28 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.89 1m4p h VAL 28 Cb 0.27 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 1m4p h VAL 28 CO -0.24 0.00 0.31 0.16 0.02 0.00 0.00 177.57 177.82 1m4p h ILE 29 N -0.46 0.47 0.00 4.57 3.07 -1.24 1.10 117.51 125.02 1m4p h ILE 29 Ca -0.04 0.00 -0.00 0.00 1.55 0.00 0.00 64.86 66.37 1m4p h ILE 29 Cb 0.37 0.76 -0.00 0.00 -0.27 0.00 0.00 36.82 37.67 1m4p h ILE 29 CO 0.04 0.00 -0.00 0.74 -1.05 0.00 0.00 178.15 177.88 1m4p h THR 30 N 0.00 0.01 0.02 0.16 2.02 0.28 0.78 112.91 116.18 1m4p h THR 30 Ca 0.14 -0.78 -0.33 0.00 0.77 0.00 0.00 66.41 66.22 1m4p h THR 30 Cb 0.76 1.77 -0.05 0.00 -1.74 0.00 0.00 68.15 68.89 1m4p h THR 30 CO -0.00 0.00 -1.83 -0.11 0.37 0.00 0.00 175.52 173.96 1m4p n LEU 31 N -3.10 2.06 -0.10 2.58 7.94 0.35 -4.76 117.00 121.98 1m4p n LEU 31 Ca 0.02 0.33 -0.13 0.00 -1.11 0.00 0.00 56.01 55.12 1m4p n LEU 31 Cb 0.42 -0.94 -0.05 0.00 0.53 0.00 0.00 43.42 43.39 1m4p n LEU 31 CO 0.31 0.49 -0.74 -1.22 -1.11 0.00 0.00 177.39 175.11 1m4p n TYR 32 N -4.18 0.32 -1.08 1.96 4.01 0.66 -5.00 117.16 113.85 1m4p n TYR 32 Ca -0.40 0.14 -0.01 0.00 -0.16 0.00 0.00 57.90 57.47 1m4p n TYR 32 Cb 0.81 -0.72 -0.01 0.00 -0.31 0.00 0.00 39.34 39.12 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 -4.45 -0.09 -0.02 -0.72 4.81 0.27 -4.88 118.16 113.08 1m4p n LYS 33 Ca -0.22 0.52 0.02 0.00 -0.87 0.00 0.00 58.31 57.76 1m4p n LYS 33 Cb 0.55 -4.08 -0.08 0.00 0.02 0.00 0.00 35.03 31.44 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 1.80 2.52 -3.81 3.14 8.00 -1.26 -5.01 116.55 121.92 1m4p n ASP 34 Ca -0.01 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.19 1m4p n ASP 34 Cb 0.06 1.23 0.23 0.00 -0.02 0.00 0.00 41.12 42.62 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 -4.10 1.87 -0.26 0.64 2.01 -1.26 -2.88 118.68 114.69 1m4p s LEU 35 Ca -0.04 0.29 -0.08 0.00 0.01 0.00 0.00 54.13 54.30 1m4p s LEU 35 Cb 0.06 -2.10 0.12 0.00 0.01 0.00 0.00 46.19 44.27 1m4p s LEU 35 CO 0.44 -3.49 0.56 -0.75 1.01 0.00 0.00 176.35 174.11 1m4p s LYS 36 N -5.79 0.48 -0.11 1.70 2.47 0.24 -4.82 119.74 113.91 1m4p s LYS 36 Ca 0.75 1.27 -0.30 0.00 -1.56 0.00 0.00 55.97 56.14 1m4p s LYS 36 Cb -0.04 0.64 -0.02 0.00 -1.46 0.00 0.00 37.83 36.95 1m4p s LYS 36 CO 0.55 -0.24 1.24 -1.25 0.16 0.00 0.00 175.35 175.81 1m4p s PRO 37 N 2.79 4.28 0.28 4.03 0.04 -1.26 0.79 135.00 145.94 1m4p s PRO 37 Ca -0.03 1.68 0.07 0.00 0.04 0.00 0.00 61.00 62.76 1m4p s PRO 37 Cb -0.12 -3.67 -0.06 0.00 0.04 0.00 0.00 34.50 30.69 1m4p s PRO 37 CO -0.17 -0.59 -0.08 0.54 0.04 0.00 0.00 177.00 176.74 1m4p s VAL 38 N 2.92 1.76 0.19 -0.36 0.11 0.37 -4.95 120.40 120.43 1m4p s VAL 38 Ca 0.56 -2.15 0.08 0.00 -2.93 0.00 0.00 61.98 57.53 1m4p s VAL 38 Cb -0.23 -2.43 -0.04 0.00 -1.53 0.00 0.00 36.38 32.15 1m4p s VAL 38 CO 0.18 -0.32 -0.04 -0.22 -3.33 0.00 0.00 175.10 171.37 1m4p s LEU 39 N -3.45 3.14 -0.06 2.54 1.98 -1.26 -0.04 118.68 121.53 1m4p s LEU 39 Ca 0.29 -0.51 -0.12 0.00 -2.89 0.00 0.00 54.13 50.90 1m4p s LEU 39 Cb 0.03 -1.79 0.02 0.00 0.66 0.00 0.00 46.19 45.11 1m4p s LEU 39 CO 0.12 0.08 0.29 1.51 -1.89 0.00 0.00 176.35 176.46 1m4p s ASP 40 N -2.99 -0.23 -0.17 3.68 1.47 0.74 -4.86 116.67 114.31 1m4p s ASP 40 Ca 0.27 0.31 0.01 0.00 1.18 0.00 0.00 52.55 54.32 1m4p s ASP 40 Cb -0.09 0.45 0.02 0.00 -0.34 0.00 0.00 42.92 42.97 1m4p s ASP 40 CO 0.17 -0.27 -0.17 -0.55 0.68 0.00 0.00 175.17 175.03 1m4p s SER 41 N -0.60 3.06 0.06 2.11 0.15 -1.26 -1.51 113.70 115.71 1m4p s SER 41 Ca -0.07 -0.65 0.03 0.00 0.70 0.00 0.00 55.95 55.96 1m4p s SER 41 Cb -0.04 -1.36 -0.03 0.00 -1.71 0.00 0.00 66.02 62.88 1m4p s SER 41 CO 0.02 -0.04 -0.10 -0.47 1.20 0.00 0.00 173.24 173.85 1m4p s TYR 42 N 1.36 0.93 0.21 3.44 5.04 -0.97 -4.86 117.35 122.50 1m4p s TYR 42 Ca 0.04 -0.52 -0.13 0.00 -2.44 0.00 0.00 57.07 54.02 1m4p s TYR 42 Cb -0.14 -0.53 -0.07 0.00 0.35 0.00 0.00 41.96 41.57 1m4p s TYR 42 CO -0.11 -0.02 0.59 0.14 -1.34 0.00 0.00 175.55 174.81 1m4p s VAL 43 N -1.54 4.83 0.25 3.14 -7.23 -1.26 0.19 120.40 118.77 1m4p s VAL 43 Ca -0.04 0.76 0.00 0.00 -1.81 0.00 0.00 61.98 60.88 1m4p s VAL 43 Cb -0.09 -3.68 0.00 0.00 0.56 0.00 0.00 36.38 33.17 1m4p s VAL 43 CO 0.01 0.06 0.00 0.49 -0.31 0.00 0.00 175.10 175.35 1m4p n PHE 44 N 0.27 -2.82 -1.53 2.82 3.72 -0.60 -4.72 117.46 114.60 1m4p n PHE 44 Ca -0.02 0.68 -0.27 0.00 -0.05 0.00 0.00 57.45 57.79 1m4p n PHE 44 Cb 0.52 1.71 -0.10 0.00 -0.94 0.00 0.00 39.48 40.67 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 -3.11 1.06 -2.09 4.37 4.13 -1.24 -1.54 115.26 116.84 1m4p n ASN 45 Ca 0.00 -0.69 -0.05 0.00 1.68 0.00 0.00 54.58 55.51 1m4p n ASN 45 Cb 0.00 -1.29 -0.01 0.00 -1.54 0.00 0.00 39.78 36.95 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 13.84 -2.00 -0.57 6.41 -0.08 -1.26 -0.40 116.55 132.49 1m4p n ASP 46 Ca 0.51 0.30 0.00 0.00 -1.51 0.00 0.00 54.79 54.09 1m4p n ASP 46 Cb 0.34 -1.88 0.00 0.00 2.34 0.00 0.00 41.12 41.91 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 0.56 3.01 0.27 0.00 -0.59 -5.09 105.19 102.88 1m4p n GLY 47 Ca -0.06 -0.31 -0.29 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.13 2.56 0.62 1.61 0.15 0.47 -4.75 113.70 112.24 1m4p s SER 48 Ca 0.00 -0.45 -0.17 0.00 0.70 0.00 0.00 55.95 56.03 1m4p s SER 48 Cb 0.00 -1.11 -0.14 0.00 -1.71 0.00 0.00 66.02 63.05 1m4p s SER 48 CO 0.00 -0.05 -0.31 -1.54 1.20 0.00 0.00 173.24 172.54 1m4p n SER 49 N 4.67 -4.18 -3.77 5.45 3.41 -1.26 -1.55 113.62 116.39 1m4p n SER 49 Ca -0.17 0.49 -0.13 0.00 -0.26 0.00 0.00 58.87 58.81 1m4p n SER 49 Cb 0.50 -0.78 -0.11 0.00 -0.26 0.00 0.00 64.21 63.55 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 -1.24 0.33 -0.59 4.33 3.52 0.50 -4.73 118.95 121.06 1m4p s ARG 50 Ca 0.49 0.42 -0.27 0.00 -0.13 0.00 0.00 55.73 56.24 1m4p s ARG 50 Cb -0.38 0.14 0.03 0.00 -1.56 0.00 0.00 34.95 33.18 1m4p s ARG 50 CO 0.68 -0.05 1.12 -2.00 -0.81 0.00 0.00 175.30 174.24 1m4p s GLU 51 N 0.26 3.41 -0.04 5.12 2.12 -1.26 -2.29 118.70 126.01 1m4p s GLU 51 Ca -0.01 0.00 0.03 0.00 0.36 0.00 0.00 54.97 55.35 1m4p s GLU 51 Cb -0.03 -4.05 0.01 0.00 0.26 0.00 0.00 34.13 30.32 1m4p s GLU 51 CO -0.01 -1.69 -0.12 -1.17 -0.54 0.00 0.00 175.26 171.74 1m4p s LEU 52 N 4.73 1.74 0.68 2.70 0.20 -0.57 -5.03 118.68 123.13 1m4p s LEU 52 Ca 0.38 -0.26 -0.01 0.00 0.69 0.00 0.00 54.13 54.92 1m4p s LEU 52 Cb -0.09 -0.74 0.10 0.00 -0.43 0.00 0.00 46.19 45.02 1m4p s LEU 52 CO 0.22 0.07 0.94 0.00 -0.29 0.00 0.00 176.35 177.29 1m4p s MET 53 N 0.35 1.95 -0.03 1.98 0.23 -1.26 -0.19 119.30 122.33 1m4p s MET 53 Ca -0.08 -0.94 -0.30 0.00 -1.03 0.00 0.00 55.69 53.35 1m4p s MET 53 Cb -0.12 -2.35 0.11 0.00 -1.53 0.00 0.00 34.83 30.93 1m4p s MET 53 CO 0.02 -1.24 0.94 0.54 -2.03 0.00 0.00 175.02 173.25 1m4p s ASN 54 N -4.63 -0.33 0.16 -1.18 4.22 0.95 -2.39 114.94 111.74 1m4p s ASN 54 Ca 0.63 -0.00 0.09 0.00 -2.14 0.00 0.00 52.86 51.44 1m4p s ASN 54 Cb -0.07 0.35 -0.04 0.00 1.28 0.00 0.00 41.25 42.76 1m4p s ASN 54 CO 0.43 -0.56 -0.10 -0.76 -2.04 0.00 0.00 177.10 174.07 1m4p s LEU 55 N -2.43 2.98 -0.25 3.54 1.43 -0.93 0.14 118.68 123.15 1m4p s LEU 55 Ca 0.06 -0.54 -0.26 0.00 -1.03 0.00 0.00 54.13 52.36 1m4p s LEU 55 Cb -0.01 -1.69 0.10 0.00 0.03 0.00 0.00 46.19 44.62 1m4p s LEU 55 CO -0.08 0.12 0.88 0.28 0.23 0.00 0.00 176.35 177.78 1m4p s THR 56 N -1.59 0.00 -1.81 5.49 -1.32 0.24 -2.29 115.64 114.36 1m4p s THR 56 Ca 0.24 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.72 1m4p s THR 56 Cb -0.09 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.90 1m4p s THR 56 CO 0.15 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.17 1m4p n GLY 57 N 2.15 -0.96 2.90 6.08 0.00 -1.08 0.81 105.19 115.09 1m4p n GLY 57 Ca -0.13 -0.88 -0.30 0.00 0.00 0.00 0.00 46.02 44.71 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 -3.00 1.48 0.26 2.61 -4.23 -1.14 -0.42 115.64 111.21 1m4p s THR 58 Ca 0.00 -1.44 -0.13 0.00 -1.18 0.00 0.00 61.69 58.94 1m4p s THR 58 Cb 0.00 -1.90 -0.08 0.00 1.34 0.00 0.00 72.50 71.86 1m4p s THR 58 CO 0.00 -0.32 0.64 0.27 -0.54 0.00 0.00 174.62 174.66 1m4p s ILE 59 N 1.37 4.80 -0.33 2.99 -4.36 -0.66 -4.74 121.20 120.28 1m4p s ILE 59 Ca 0.01 0.74 -0.29 0.00 -0.26 0.00 0.00 60.65 60.85 1m4p s ILE 59 Cb -0.18 -3.63 0.00 0.00 1.25 0.00 0.00 42.46 39.89 1m4p s ILE 59 CO -0.11 -0.09 1.37 -2.16 0.24 0.00 0.00 174.94 174.20 1m4p s PRO 60 N -2.79 3.79 -0.41 0.37 0.04 -1.26 -1.60 135.00 133.15 1m4p s PRO 60 Ca 0.49 1.19 -0.10 0.00 0.04 0.00 0.00 61.00 62.62 1m4p s PRO 60 Cb -0.11 -3.94 0.06 0.00 0.04 0.00 0.00 34.50 30.55 1m4p s PRO 60 CO 0.19 -1.28 0.26 0.08 0.04 0.00 0.00 177.00 176.29 1m4p s VAL 61 N 4.80 4.44 0.47 -0.36 1.01 -0.09 -4.91 120.40 125.75 1m4p s VAL 61 Ca 0.59 -1.20 -0.21 0.00 0.00 0.00 0.00 61.98 61.16 1m4p s VAL 61 Cb -0.17 -3.64 -0.09 0.00 0.00 0.00 0.00 36.38 32.49 1m4p s VAL 61 CO 0.27 -0.43 1.04 -2.16 0.00 0.00 0.00 175.10 173.82 1m4p s PRO 62 N 1.49 3.88 -0.10 2.72 0.04 -1.26 -1.10 135.00 140.66 1m4p s PRO 62 Ca 0.03 1.40 0.15 0.00 0.04 0.00 0.00 61.00 62.62 1m4p s PRO 62 Cb -0.22 -2.19 0.23 0.00 0.04 0.00 0.00 34.50 32.36 1m4p s PRO 62 CO 0.04 -0.37 1.12 0.98 0.04 0.00 0.00 177.00 178.81 1m4p n TYR 63 N -0.76 0.00 -0.80 0.56 9.36 0.99 -4.79 117.16 121.72 1m4p n TYR 63 Ca 0.08 -0.89 0.00 0.00 3.32 0.00 0.00 57.90 60.41 1m4p n TYR 63 Cb 0.52 -0.13 0.00 0.00 -0.63 0.00 0.00 39.34 39.10 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 -1.24 0.00 0.00 2.98 0.63 -1.26 -4.58 116.66 113.18 1m4p n ARG 64 Ca 0.13 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.06 1m4p n ARG 64 Cb 0.57 -2.10 0.00 0.00 0.45 0.00 0.00 32.46 31.39 1m4p n ARG 64 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1m4p n GLY 65 N -2.21 -0.25 3.20 5.14 0.00 -1.26 -5.12 105.19 104.68 1m4p n GLY 65 Ca 0.00 -0.02 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.06 2.26 -0.40 1.61 -0.87 -1.26 -5.11 114.94 109.11 1m4p s ASN 66 Ca 0.00 -0.39 -0.06 0.00 -1.57 0.00 0.00 52.86 50.84 1m4p s ASN 66 Cb 0.00 -0.23 0.09 0.00 -0.02 0.00 0.00 41.25 41.09 1m4p s ASN 66 CO 0.00 0.20 0.20 -0.89 -2.57 0.00 0.00 177.10 174.05 1m4p s THR 67 N -0.56 3.66 0.00 1.60 2.01 -1.26 -0.01 115.64 121.08 1m4p s THR 67 Ca 0.07 -1.69 0.00 0.00 0.31 0.00 0.00 61.69 60.38 1m4p s THR 67 Cb -0.08 -3.33 0.00 0.00 0.01 0.00 0.00 72.50 69.10 1m4p s THR 67 CO 0.00 -0.54 0.00 -1.22 -0.69 0.00 0.00 174.62 172.17 1m4p n TYR 68 N 4.74 -2.18 -3.82 4.92 4.02 -0.26 -4.74 117.16 119.84 1m4p n TYR 68 Ca -0.07 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.57 1m4p n TYR 68 Cb 0.42 0.00 -0.17 0.00 -0.02 0.00 0.00 39.34 39.57 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 2.06 -0.10 7.72 0.01 -1.26 -0.91 114.94 121.45 1m4p s ASN 69 Ca 0.00 -0.30 -0.01 0.00 -0.71 0.00 0.00 52.86 51.84 1m4p s ASN 69 Cb 0.00 -0.63 -0.03 0.00 0.41 0.00 0.00 41.25 41.01 1m4p s ASN 69 CO 0.00 -0.19 -0.06 -0.51 -1.51 0.00 0.00 177.10 174.83 1m4p s ILE 70 N 1.85 3.74 0.50 0.60 1.10 -0.62 -4.90 121.20 123.46 1m4p s ILE 70 Ca 0.04 -0.45 -0.20 0.00 -0.51 0.00 0.00 60.65 59.54 1m4p s ILE 70 Cb -0.13 -2.57 -0.08 0.00 0.15 0.00 0.00 42.46 39.83 1m4p s ILE 70 CO -0.07 0.56 1.04 -2.16 -2.11 0.00 0.00 174.94 172.20 1m4p s PRO 71 N -0.35 3.75 0.04 3.50 0.04 -1.26 -1.65 135.00 139.06 1m4p s PRO 71 Ca 0.05 1.33 0.01 0.00 0.04 0.00 0.00 61.00 62.43 1m4p s PRO 71 Cb -0.12 -2.09 -0.03 0.00 0.04 0.00 0.00 34.50 32.30 1m4p s PRO 71 CO 0.02 -0.47 -0.05 0.42 0.04 0.00 0.00 177.00 176.96 1m4p s ILE 72 N -2.05 0.31 -0.30 0.56 -1.09 0.45 -3.91 121.20 115.16 1m4p s ILE 72 Ca 0.67 -1.23 -0.03 0.00 -2.23 0.00 0.00 60.65 57.83 1m4p s ILE 72 Cb -0.16 -0.73 0.19 0.00 -1.58 0.00 0.00 42.46 40.17 1m4p s ILE 72 CO 0.22 -0.60 0.70 0.00 -1.23 0.00 0.00 174.94 174.03 1m4p s LEU 74 N 2.88 2.12 0.17 0.00 2.34 -0.97 -0.40 118.68 124.81 1m4p s LEU 74 Ca 0.16 -1.22 0.01 0.00 0.06 0.00 0.00 54.13 53.14 1m4p s LEU 74 Cb -0.13 -0.18 -0.04 0.00 -0.56 0.00 0.00 46.19 45.28 1m4p s LEU 74 CO -0.19 -0.55 0.32 0.26 -1.06 0.00 0.00 176.35 175.13 1m4p s TRP 75 N -3.52 3.49 -0.23 3.48 0.52 -1.04 -2.19 118.94 119.44 1m4p s TRP 75 Ca 0.28 0.21 0.01 0.00 0.02 0.00 0.00 56.10 56.61 1m4p s TRP 75 Cb 0.06 -1.74 0.06 0.00 -1.15 0.00 0.00 33.47 30.70 1m4p s TRP 75 CO 0.08 0.47 -0.05 -1.17 0.02 0.00 0.00 176.95 176.29 1m4p s LEU 76 N -3.24 2.52 0.00 2.99 2.96 -1.00 -4.70 118.68 118.20 1m4p s LEU 76 Ca 0.36 -1.15 -0.03 0.00 -0.22 0.00 0.00 54.13 53.09 1m4p s LEU 76 Cb -0.11 -1.16 0.04 0.00 0.50 0.00 0.00 46.19 45.46 1m4p s LEU 76 CO 0.29 -0.23 0.09 0.18 -1.32 0.00 0.00 176.35 175.36 1m4p n LEU 77 N 4.68 0.00 -1.57 -0.68 4.77 -1.26 -4.15 117.00 118.79 1m4p n LEU 77 Ca -0.12 -0.10 0.02 0.00 -0.03 0.00 0.00 56.01 55.78 1m4p n LEU 77 Cb 0.44 -0.12 0.01 0.00 -2.33 0.00 0.00 43.42 41.42 1m4p n LEU 77 CO 0.18 -1.57 0.11 -0.90 -1.33 0.00 0.00 177.39 173.87 1m4p n ASP 78 N -2.63 0.71 0.00 -1.43 5.68 -1.26 -4.87 116.55 112.74 1m4p n ASP 78 Ca 0.02 -2.01 0.00 0.00 -0.50 0.00 0.00 54.79 52.30 1m4p n ASP 78 Cb 0.07 -0.21 0.00 0.00 -1.14 0.00 0.00 41.12 39.84 1m4p n ASP 78 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.20 176.28 1m4p n THR 79 N 0.29 0.00 -1.58 2.12 -1.04 -1.26 -2.25 114.28 110.56 1m4p n THR 79 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 1m4p n THR 79 Cb 1.05 -0.17 -0.00 0.00 -1.82 0.00 0.00 70.33 69.39 1m4p n THR 79 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1m4p n TYR 80 N -0.61 -4.31 -2.16 -1.42 9.36 -1.26 -4.68 117.16 112.08 1m4p n TYR 80 Ca 0.00 2.34 -0.33 0.00 3.32 0.00 0.00 57.90 63.23 1m4p n TYR 80 Cb 0.00 -3.63 -0.00 0.00 -0.63 0.00 0.00 39.34 35.08 1m4p n TYR 80 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 1m4p s PRO 81 N -5.41 3.46 0.00 2.98 0.04 -1.26 -5.05 135.00 129.76 1m4p s PRO 81 Ca 0.00 1.20 0.00 0.00 0.04 0.00 0.00 61.00 62.24 1m4p s PRO 81 Cb 0.00 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.49 1m4p s PRO 81 CO 0.00 -0.70 0.00 0.66 0.04 0.00 0.00 177.00 177.00 1m4p n TYR 82 N -1.82 0.00 -1.43 0.56 4.01 -1.26 -5.10 117.16 112.11 1m4p n TYR 82 Ca 0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.83 1m4p n TYR 82 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.56 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 -7.76 -4.62 7.72 2.85 -1.26 -4.78 115.26 107.41 1m4p n ASN 83 Ca 0.00 1.07 -0.43 0.00 -0.11 0.00 0.00 54.58 55.11 1m4p n ASN 83 Cb 0.00 -3.85 -0.02 0.00 1.24 0.00 0.00 39.78 37.14 1m4p n ASN 83 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1m4p s PRO 84 N -3.11 3.75 -0.11 1.20 0.04 -1.26 -4.89 135.00 130.63 1m4p s PRO 84 Ca 0.00 1.14 -0.05 0.00 0.04 0.00 0.00 61.00 62.14 1m4p s PRO 84 Cb 0.00 -3.96 -0.19 0.00 0.04 0.00 0.00 34.50 30.39 1m4p s PRO 84 CO 0.00 -1.33 2.82 -0.35 0.04 0.00 0.00 177.00 178.18 1m4p n PRO 85 N 7.68 1.62 -3.48 0.56 -0.04 -1.26 -4.60 135.00 135.47 1m4p n PRO 85 Ca 0.16 -0.84 -0.19 0.00 -0.04 0.00 0.00 63.50 62.58 1m4p n PRO 85 Cb 0.47 -1.94 -0.13 0.00 -0.04 0.00 0.00 33.50 31.87 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 1.62 -0.31 -0.07 0.52 -1.09 -1.26 -5.11 121.20 115.49 1m4p s ILE 86 Ca 0.51 -0.25 0.02 0.00 -2.23 0.00 0.00 60.65 58.69 1m4p s ILE 86 Cb 0.23 -0.77 0.02 0.00 -1.58 0.00 0.00 42.46 40.36 1m4p s ILE 86 CO -0.00 -0.31 -0.11 0.00 -1.23 0.00 0.00 174.94 173.29 1m4p s PHE 88 N 0.88 1.29 0.37 0.00 0.08 0.46 -2.53 117.98 118.53 1m4p s PHE 88 Ca -0.11 -1.28 0.08 0.00 0.12 0.00 0.00 56.93 55.75 1m4p s PHE 88 Cb -0.15 -0.69 -0.06 0.00 -0.57 0.00 0.00 43.02 41.55 1m4p s PHE 88 CO 0.01 -0.50 0.03 0.54 -0.10 0.00 0.00 175.22 175.20 1m4p s VAL 89 N -3.98 2.36 -0.57 -0.44 0.11 0.28 -1.70 120.40 116.46 1m4p s VAL 89 Ca 0.37 -1.95 0.06 0.00 -2.93 0.00 0.00 61.98 57.53 1m4p s VAL 89 Cb 0.07 -2.86 0.23 0.00 -1.53 0.00 0.00 36.38 32.29 1m4p s VAL 89 CO 0.12 -0.11 0.63 0.29 -3.33 0.00 0.00 175.10 172.69 1m4p n LYS 90 N -0.99 1.80 -1.57 1.54 4.76 -1.25 -4.66 118.16 117.79 1m4p n LYS 90 Ca -0.04 -4.17 -0.31 0.00 -2.87 0.00 0.00 58.31 50.93 1m4p n LYS 90 Cb 0.64 -1.95 0.06 0.00 -1.84 0.00 0.00 35.03 31.94 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 -1.83 2.64 0.20 1.97 0.04 -1.26 -4.51 135.00 132.25 1m4p s PRO 91 Ca 0.36 0.84 0.03 0.00 0.04 0.00 0.00 61.00 62.27 1m4p s PRO 91 Cb 0.12 -1.96 0.03 0.00 0.04 0.00 0.00 34.50 32.72 1m4p s PRO 91 CO -0.07 -1.28 0.23 0.25 0.04 0.00 0.00 177.00 176.17 1m4p n THR 92 N -3.24 0.00 0.09 1.26 -2.24 -1.26 -5.02 114.28 103.87 1m4p n THR 92 Ca 0.07 -0.73 -0.20 0.00 -2.27 0.00 0.00 64.05 60.92 1m4p n THR 92 Cb 0.54 -0.63 -0.15 0.00 -2.10 0.00 0.00 70.33 67.99 1m4p n THR 92 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1m4p h SER 93 N 0.11 0.57 0.58 3.42 0.87 -2.05 -3.23 113.55 113.83 1m4p h SER 93 Ca -0.11 -0.73 0.00 0.00 -1.23 0.00 0.00 61.79 59.72 1m4p h SER 93 Cb 0.45 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 1m4p h SER 93 CO 0.16 1.60 0.00 -0.24 -0.53 0.00 0.00 176.83 177.82 1m4p n SER 94 N -3.57 0.00 -2.78 6.23 2.88 -1.26 -4.80 113.62 110.32 1m4p n SER 94 Ca -0.18 0.08 -0.12 0.00 -1.33 0.00 0.00 58.87 57.32 1m4p n SER 94 Cb 1.07 -0.34 0.08 0.00 -0.75 0.00 0.00 64.21 64.26 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 -1.34 -0.47 -3.30 -1.46 2.00 -1.22 -4.24 117.12 107.09 1m4p n MET 95 Ca 0.10 -0.85 -0.07 0.00 0.00 0.00 0.00 57.70 56.88 1m4p n MET 95 Cb 0.23 -0.53 -0.06 0.00 0.00 0.00 0.00 33.22 32.85 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 -2.10 -0.68 0.31 2.03 2.01 -1.25 -4.93 115.64 111.03 1m4p s THR 96 Ca 0.30 -0.17 -0.29 0.00 0.31 0.00 0.00 61.69 61.85 1m4p s THR 96 Cb -0.01 -0.92 -0.10 0.00 0.01 0.00 0.00 72.50 71.48 1m4p s THR 96 CO 0.21 -0.18 1.22 -0.51 -0.69 0.00 0.00 174.62 174.67 1m4p s ILE 97 N 2.59 3.05 -0.39 1.82 2.07 -1.26 -3.73 121.20 125.34 1m4p s ILE 97 Ca 0.12 1.05 0.04 0.00 -1.41 0.00 0.00 60.65 60.45 1m4p s ILE 97 Cb -0.14 -3.67 0.11 0.00 0.13 0.00 0.00 42.46 38.89 1m4p s ILE 97 CO -0.24 0.25 0.11 -1.59 -1.91 0.00 0.00 174.94 171.57 1m4p s LYS 98 N -1.66 1.60 0.66 3.50 0.00 -1.26 -5.03 119.74 117.56 1m4p s LYS 98 Ca 0.47 -2.08 -0.18 0.00 0.00 0.00 0.00 55.97 54.19 1m4p s LYS 98 Cb -0.36 -3.20 -0.00 0.00 0.00 0.00 0.00 37.83 34.26 1m4p s LYS 98 CO 0.48 -0.99 1.29 0.95 0.00 0.00 0.00 175.35 177.08 1m4p s THR 99 N 0.57 2.00 0.00 3.79 -4.23 -1.26 -4.65 115.64 111.86 1m4p s THR 99 Ca 0.13 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.64 1m4p s THR 99 Cb -0.21 -2.96 0.00 0.00 1.34 0.00 0.00 72.50 70.67 1m4p s THR 99 CO -0.06 -0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.63 1m4p n GLY 100 N 0.89 0.21 4.96 3.99 0.00 0.13 -4.87 105.19 110.50 1m4p n GLY 100 Ca 0.16 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.36 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 0.43 0.00 -1.20 1.61 5.02 -1.26 -2.73 118.16 120.03 1m4p n LYS 101 Ca 0.00 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.27 1m4p n LYS 101 Cb 0.00 -0.01 0.01 0.00 -0.02 0.00 0.00 35.03 35.01 1m4p n LYS 101 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 1m4p n HIS 102 N 0.00 -0.31 -3.68 2.13 -0.00 -1.26 -4.93 115.22 107.17 1m4p n HIS 102 Ca 0.00 -0.36 -0.10 0.00 0.46 0.00 0.00 57.72 57.72 1m4p n HIS 102 Cb 0.00 0.58 -0.04 0.00 -0.12 0.00 0.00 29.99 30.41 1m4p n HIS 102 CO 0.00 0.00 0.00 0.14 0.46 0.00 0.00 176.34 176.94 1m4p s VAL 103 N 0.02 0.04 0.03 3.57 -7.23 -1.10 -2.75 120.40 112.97 1m4p s VAL 103 Ca 0.01 -0.66 0.00 0.00 -1.81 0.00 0.00 61.98 59.52 1m4p s VAL 103 Cb 0.07 -1.42 0.00 0.00 0.56 0.00 0.00 36.38 35.59 1m4p s VAL 103 CO -0.02 -0.16 0.00 -0.67 -0.31 0.00 0.00 175.10 173.94 1m4p n ASP 104 N -0.31 0.30 0.00 4.85 2.03 -1.25 0.19 116.55 122.36 1m4p n ASP 104 Ca -0.12 0.04 0.00 0.00 0.52 0.00 0.00 54.79 55.23 1m4p n ASP 104 Cb 0.63 -0.09 0.00 0.00 -0.72 0.00 0.00 41.12 40.94 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 -2.78 0.00 -1.84 -1.67 0.00 -1.26 -4.54 120.51 108.42 1m4p n ALA 105 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1m4p n ALA 105 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1m4p n ALA 105 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1m4p n ASN 106 N 0.00 0.00 -0.89 0.00 3.02 -1.26 -4.97 115.26 111.16 1m4p n ASN 106 Ca 0.00 -1.38 -0.12 0.00 -0.03 0.00 0.00 54.58 53.06 1m4p n ASN 106 Cb 0.00 -0.08 -0.05 0.00 -0.61 0.00 0.00 39.78 39.04 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 0.00 1.18 3.91 7.41 0.00 -1.26 -4.79 105.19 111.64 1m4p n GLY 107 Ca 0.00 -0.14 -0.32 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.87 3.46 0.18 1.61 -2.85 -1.26 0.98 119.74 119.00 1m4p s LYS 108 Ca 0.00 -0.33 -0.27 0.00 -1.00 0.00 0.00 55.97 54.38 1m4p s LYS 108 Cb 0.00 -3.06 -0.08 0.00 -2.06 0.00 0.00 37.83 32.63 1m4p s LYS 108 CO 0.00 0.64 0.83 0.42 0.10 0.00 0.00 175.35 177.34 1m4p s ILE 109 N -1.41 4.30 0.00 3.79 1.01 -1.05 -3.93 121.20 123.90 1m4p s ILE 109 Ca 0.31 1.83 0.00 0.00 0.00 0.00 0.00 60.65 62.79 1m4p s ILE 109 Cb -0.13 -4.20 0.00 0.00 0.01 0.00 0.00 42.46 38.14 1m4p s ILE 109 CO 0.22 0.50 0.00 0.00 0.00 0.00 0.00 174.94 175.66 1m4p n TYR 110 N 1.67 0.00 -1.04 3.97 9.36 -1.11 -4.87 117.16 125.13 1m4p n TYR 110 Ca -0.04 0.00 0.13 0.00 3.32 0.00 0.00 57.90 61.31 1m4p n TYR 110 Cb 0.48 0.00 -0.06 0.00 -0.63 0.00 0.00 39.34 39.13 1m4p n TYR 110 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 1m4p n LEU 111 N 0.00 -0.71 0.00 2.98 7.99 -1.26 -4.19 117.00 121.81 1m4p n LEU 111 Ca 0.00 1.64 0.06 0.00 -0.01 0.00 0.00 56.01 57.70 1m4p n LEU 111 Cb 0.00 -2.65 0.36 0.00 -0.11 0.00 0.00 43.42 41.02 1m4p n LEU 111 CO 0.00 -1.78 0.64 -0.81 -1.51 0.00 0.00 177.39 173.92 1m4p n PRO 112 N -3.74 0.75 -0.21 3.23 -0.04 -1.26 -4.16 135.00 129.57 1m4p n PRO 112 Ca -0.05 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.48 1m4p n PRO 112 Cb 0.49 -1.25 0.15 0.00 -0.04 0.00 0.00 33.50 32.85 1m4p n PRO 112 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 1m4p n TYR 113 N -0.75 0.33 -0.04 0.54 9.36 -1.26 0.18 117.16 125.53 1m4p n TYR 113 Ca 0.09 0.74 -0.13 0.00 3.32 0.00 0.00 57.90 61.91 1m4p n TYR 113 Cb 0.04 -0.92 -0.11 0.00 -0.63 0.00 0.00 39.34 37.71 1m4p n TYR 113 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1m4p h LEU 114 N 0.00 -0.00 -4.39 2.98 -0.00 -1.85 -3.27 115.31 108.77 1m4p h LEU 114 Ca 0.34 -0.74 -0.54 0.00 -0.00 0.00 0.00 57.88 56.95 1m4p h LEU 114 Cb 0.66 0.00 -0.20 0.00 -0.00 0.00 0.00 40.66 41.12 1m4p h LEU 114 CO -0.59 0.74 0.57 1.57 -0.00 0.00 0.00 178.44 180.73 1m4p n HIS 115 N -4.73 2.00 0.00 1.13 -0.00 0.48 -4.33 115.22 109.76 1m4p n HIS 115 Ca -0.09 -2.12 0.00 0.00 0.46 0.00 0.00 57.72 55.97 1m4p n HIS 115 Cb 0.36 -1.28 0.00 0.00 -0.12 0.00 0.00 29.99 28.96 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 0.35 0.00 0.00 1.57 2.13 0.49 -4.82 120.64 120.36 1m4p n GLU 116 Ca 0.48 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.30 1m4p n GLU 116 Cb 0.50 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.21 1m4p n GLU 116 CO 0.00 0.00 0.00 1.87 -0.41 0.00 0.00 177.13 178.59 1m4p n TRP 117 N -2.28 0.00 -4.21 4.31 -0.00 -1.26 -4.82 117.44 109.18 1m4p n TRP 117 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.50 57.19 1m4p n TRP 117 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 31.31 31.22 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 -0.36 -0.90 -0.22 5.87 4.81 -1.26 -4.77 118.16 121.33 1m4p n LYS 118 Ca 0.00 0.09 -0.01 0.00 -0.87 0.00 0.00 58.31 57.52 1m4p n LYS 118 Cb 0.00 -3.55 0.10 0.00 0.02 0.00 0.00 35.03 31.60 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 -1.41 0.59 0.04 5.64 2.76 -1.95 -3.46 115.15 117.37 1m4p h HIS 119 Ca -0.60 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 57.60 1m4p h HIS 119 Cb 1.29 -0.17 0.00 0.00 1.55 0.00 0.00 27.41 30.08 1m4p h HIS 119 CO 0.52 0.25 -0.02 -1.00 -1.30 0.00 0.00 177.93 176.39 1m4p h PRO 120 N 0.59 -0.05 0.00 5.26 0.13 -1.98 -3.50 132.00 132.46 1m4p h PRO 120 Ca 0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.43 1m4p h PRO 120 Cb 0.24 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.38 1m4p h PRO 120 CO -0.21 0.60 0.00 0.94 -0.23 0.00 0.00 178.00 179.10 1m4p n GLN 121 N -4.77 0.00 -0.73 0.86 -0.06 -1.26 -4.80 117.38 106.62 1m4p n GLN 121 Ca -0.08 0.00 -0.32 0.00 -2.00 0.00 0.00 57.00 54.59 1m4p n GLN 121 Cb 0.33 0.00 0.15 0.00 -4.06 0.00 0.00 30.24 26.66 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 0.68 -2.18 -4.22 1.69 2.88 -1.26 -5.03 113.62 106.17 1m4p n SER 122 Ca 0.00 0.10 -0.18 0.00 -1.33 0.00 0.00 58.87 57.47 1m4p n SER 122 Cb 0.00 -1.10 -0.10 0.00 -0.75 0.00 0.00 64.21 62.26 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 -1.96 1.40 0.17 -3.46 1.47 -1.26 -4.97 116.67 108.07 1m4p s ASP 123 Ca 0.57 -1.44 -0.27 0.00 1.18 0.00 0.00 52.55 52.58 1m4p s ASP 123 Cb -0.17 0.23 0.01 0.00 -0.34 0.00 0.00 42.92 42.65 1m4p s ASP 123 CO 0.67 -0.78 1.55 0.25 0.68 0.00 0.00 175.17 177.54 1m4p h LEU 124 N 2.30 -1.76 -0.24 2.11 7.12 -1.96 1.48 115.31 124.37 1m4p h LEU 124 Ca -0.37 0.28 0.04 0.00 0.13 0.00 0.00 57.88 57.96 1m4p h LEU 124 Cb 1.25 0.79 -0.06 0.00 -0.53 0.00 0.00 40.66 42.11 1m4p h LEU 124 CO 0.59 -0.31 -0.49 -0.07 -0.13 0.00 0.00 178.44 178.03 1m4p h LEU 125 N -0.15 -1.60 -0.99 2.25 4.07 -1.97 0.36 115.31 117.28 1m4p h LEU 125 Ca 0.18 0.20 0.13 0.00 0.08 0.00 0.00 57.88 58.47 1m4p h LEU 125 Cb 0.53 0.64 -0.09 0.00 1.08 0.00 0.00 40.66 42.82 1m4p h LEU 125 CO -0.80 -0.39 0.62 1.23 -1.08 0.00 0.00 178.44 178.02 1m4p h GLY 126 N -0.44 1.64 0.71 0.83 0.00 -1.39 -0.57 103.07 103.86 1m4p h GLY 126 Ca 0.05 -0.41 0.03 0.00 0.00 0.00 0.00 47.33 47.00 1m4p h GLY 126 CO -0.46 0.12 0.07 -2.00 0.00 0.00 0.00 176.54 174.27 1m4p h LEU 127 N 0.95 0.05 -1.51 3.11 6.46 0.45 -0.19 115.31 124.62 1m4p h LEU 127 Ca 0.50 0.04 0.02 0.00 -0.12 0.00 0.00 57.88 58.32 1m4p h LEU 127 Cb 0.54 0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 40.49 1m4p h LEU 127 CO -0.28 0.06 0.35 0.40 -0.62 0.00 0.00 178.44 178.35 1m4p h ILE 128 N 0.18 1.09 -0.30 4.05 1.08 0.11 -1.30 117.51 122.42 1m4p h ILE 128 Ca 0.13 -0.23 -0.00 0.00 -0.39 0.00 0.00 64.86 64.37 1m4p h ILE 128 Cb 0.12 0.38 -0.01 0.00 -3.07 0.00 0.00 36.82 34.23 1m4p h ILE 128 CO -0.15 0.12 0.18 -0.61 -0.69 0.00 0.00 178.15 177.00 1m4p h GLN 129 N 0.66 0.40 -0.80 2.37 4.15 0.13 0.28 115.11 122.31 1m4p h GLN 129 Ca 0.21 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.58 1m4p h GLN 129 Cb 0.02 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 27.58 1m4p h GLN 129 CO -0.05 0.30 0.45 0.28 -1.93 0.00 0.00 178.83 177.88 1m4p h VAL 130 N 0.38 1.23 -0.46 2.39 2.07 -0.32 -1.97 116.25 119.58 1m4p h VAL 130 Ca 0.11 -0.56 -0.08 0.00 0.82 0.00 0.00 66.70 66.99 1m4p h VAL 130 Cb 0.00 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 29.90 1m4p h VAL 130 CO -0.02 0.26 -0.03 -0.03 0.02 0.00 0.00 177.57 177.77 1m4p h MET 131 N 1.11 0.77 -0.51 1.57 1.85 -0.73 0.40 114.93 119.40 1m4p h MET 131 Ca 0.28 -0.22 -0.00 0.00 -0.61 0.00 0.00 59.70 59.15 1m4p h MET 131 Cb 0.01 -0.08 -0.03 0.00 0.43 0.00 0.00 31.60 31.93 1m4p h MET 131 CO -0.05 0.80 0.30 0.82 -0.40 0.00 0.00 176.91 178.38 1m4p h ILE 132 N 0.72 1.15 0.12 1.77 2.04 0.27 0.78 117.51 124.35 1m4p h ILE 132 Ca 0.14 -0.34 -0.29 0.00 1.00 0.00 0.00 64.86 65.37 1m4p h ILE 132 Cb 0.48 0.44 0.02 0.00 -0.74 0.00 0.00 36.82 37.02 1m4p h ILE 132 CO 0.02 0.16 -1.22 0.58 0.00 0.00 0.00 178.15 177.69 1m4p h VAL 133 N 0.70 1.35 -0.10 1.67 2.07 -0.82 -0.98 116.25 120.13 1m4p h VAL 133 Ca 0.18 -2.61 -0.09 0.00 0.82 0.00 0.00 66.70 65.00 1m4p h VAL 133 Cb -0.02 2.73 -0.01 0.00 -1.52 0.00 0.00 31.29 32.48 1m4p h VAL 133 CO -0.03 0.78 -0.34 0.58 0.02 0.00 0.00 177.57 178.58 1m4p h VAL 134 N 0.21 1.27 -0.56 2.57 2.07 -0.04 -2.18 116.25 119.59 1m4p h VAL 134 Ca -0.17 -1.32 -0.34 0.00 0.82 0.00 0.00 66.70 65.70 1m4p h VAL 134 Cb 1.90 1.58 -0.20 0.00 -1.52 0.00 0.00 31.29 33.04 1m4p h VAL 134 CO 0.22 0.39 -0.01 0.49 0.02 0.00 0.00 177.57 178.68 1m4p n PHE 135 N -4.09 1.82 0.00 1.57 3.01 0.26 -4.42 117.46 115.61 1m4p n PHE 135 Ca -0.01 -1.92 0.00 0.00 1.01 0.00 0.00 57.45 56.53 1m4p n PHE 135 Cb 0.42 -0.64 0.00 0.00 -0.01 0.00 0.00 39.48 39.25 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 -1.04 0.00 0.26 1.37 0.00 -0.38 -4.77 105.19 100.64 1m4p n GLY 136 Ca 0.42 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.28 1m4p n GLY 136 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1m4p h ASP 137 N 0.00 -0.51 -2.47 1.61 1.82 -1.63 -3.45 116.42 111.80 1m4p h ASP 137 Ca 0.00 -0.03 -0.56 0.00 -0.39 0.00 0.00 57.03 56.05 1m4p h ASP 137 Cb 0.46 0.13 -0.08 0.00 0.68 0.00 0.00 39.33 40.52 1m4p h ASP 137 CO 0.00 -0.30 -0.60 -1.61 -1.61 0.00 0.00 179.24 175.12 1m4p s GLU 138 N -5.73 2.60 -0.33 0.28 0.41 -1.26 -5.07 118.70 109.59 1m4p s GLU 138 Ca -0.16 -1.14 -0.29 0.00 -0.41 0.00 0.00 54.97 52.97 1m4p s GLU 138 Cb 0.04 -2.41 0.00 0.00 -1.78 0.00 0.00 34.13 29.98 1m4p s GLU 138 CO 0.61 0.42 1.37 -1.25 -0.49 0.00 0.00 175.26 175.91 1m4p s PRO 139 N -3.43 3.78 0.26 0.39 0.04 -1.26 -4.63 135.00 130.16 1m4p s PRO 139 Ca 0.31 1.17 0.12 0.00 0.04 0.00 0.00 61.00 62.64 1m4p s PRO 139 Cb -0.08 -3.94 0.28 0.00 0.04 0.00 0.00 34.50 30.79 1m4p s PRO 139 CO 0.21 -1.30 1.55 -1.00 0.04 0.00 0.00 177.00 176.51 1m4p h PRO 140 N 9.92 0.00 0.00 0.56 0.13 -1.88 -3.41 132.00 137.33 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 1.10 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.11 1m4p h PRO 140 CO 1.05 0.63 -0.14 1.55 -0.23 0.00 0.00 178.00 180.86 1m4p n VAL 141 N -3.57 0.00 -1.71 1.56 3.14 -1.26 -4.00 118.33 112.49 1m4p n VAL 141 Ca -0.00 -0.99 -0.43 0.00 -2.96 0.00 0.00 64.34 59.96 1m4p n VAL 141 Cb 0.68 1.25 -0.03 0.00 -1.06 0.00 0.00 33.84 34.67 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 0.63 2.67 -2.88 1.45 -1.74 -1.24 -4.32 117.46 112.02 1m4p n PHE 142 Ca -0.00 0.06 -0.21 0.00 -0.56 0.00 0.00 57.45 56.74 1m4p n PHE 142 Cb 0.73 -2.66 0.08 0.00 1.52 0.00 0.00 39.48 39.14 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 1.24 4.87 0.68 5.98 0.15 -1.26 -3.79 113.70 121.57 1m4p s SER 143 Ca 0.76 -0.67 -0.16 0.00 0.70 0.00 0.00 55.95 56.58 1m4p s SER 143 Cb -0.53 0.16 0.01 0.00 -1.71 0.00 0.00 66.02 63.94 1m4p s SER 143 CO 0.34 -1.50 1.23 0.00 1.20 0.00 0.00 173.24 174.51 1m4p s ARG 144 N -4.81 2.41 0.00 5.44 1.70 -1.26 -4.99 118.95 117.44 1m4p s ARG 144 Ca 0.63 1.85 0.24 0.00 -0.47 0.00 0.00 55.73 57.98 1m4p s ARG 144 Cb -0.06 -1.86 1.44 0.00 -0.57 0.00 0.00 34.95 33.90 1m4p s ARG 144 CO 0.41 -1.65 1.80 -0.35 -1.08 0.00 0.00 175.30 174.43