#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 1.08 0.79 0.00 3.14 -1.26 -4.45 118.33 117.63 1m4p n VAL 3 Ca 0.00 -0.36 0.13 0.00 -2.96 0.00 0.00 64.34 61.15 1m4p n VAL 3 Cb 0.00 -1.39 0.45 0.00 -1.06 0.00 0.00 33.84 31.84 1m4p n VAL 3 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1m4p n SER 4 N -3.37 0.48 -0.32 6.55 7.64 -1.26 -3.91 113.62 119.43 1m4p n SER 4 Ca -0.36 0.44 0.19 0.00 1.01 0.00 0.00 58.87 60.15 1m4p n SER 4 Cb 0.83 -0.51 0.36 0.00 -1.01 0.00 0.00 64.21 63.88 1m4p n SER 4 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1m4p n GLU 5 N -1.91 -0.07 -0.05 1.43 0.00 -1.26 0.19 120.64 118.96 1m4p n GLU 5 Ca 0.06 1.38 -0.09 0.00 0.00 0.00 0.00 57.16 58.50 1m4p n GLU 5 Cb 0.39 -2.28 -0.03 0.00 0.00 0.00 0.00 31.44 29.53 1m4p n GLU 5 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.13 177.90 1m4p h SER 6 N 0.00 0.20 0.37 4.31 0.02 -1.88 -2.11 113.55 114.45 1m4p h SER 6 Ca 0.64 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 61.46 1m4p h SER 6 Cb 1.47 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.96 1m4p h SER 6 CO -0.84 0.15 -0.55 -0.61 -1.14 0.00 0.00 176.83 173.84 1m4p h GLN 7 N 0.26 0.20 -0.92 3.45 -0.00 0.17 -2.89 115.11 115.38 1m4p h GLN 7 Ca 0.09 -0.12 0.13 0.00 -0.00 0.00 0.00 58.65 58.75 1m4p h GLN 7 Cb -0.00 0.01 -0.07 0.00 0.00 0.00 0.00 27.48 27.42 1m4p h GLN 7 CO -0.04 0.70 0.59 1.25 0.00 0.00 0.00 178.83 181.33 1m4p h LEU 8 N 0.15 0.75 -1.92 -2.39 5.85 0.26 0.71 115.31 118.72 1m4p h LEU 8 Ca 0.00 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 1m4p h LEU 8 Cb 1.02 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.94 1m4p h LEU 8 CO 0.08 0.39 -0.10 0.50 -0.34 0.00 0.00 178.44 178.97 1m4p h LYS 9 N 0.80 0.00 0.00 1.25 3.64 -1.20 0.94 116.57 122.01 1m4p h LYS 9 Ca 0.46 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.84 1m4p h LYS 9 Cb 0.62 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 1m4p h LYS 9 CO -0.22 0.10 -0.41 -0.22 -2.27 0.00 0.00 179.45 176.44 1m4p h LYS 10 N 0.00 0.00 0.00 1.90 3.64 0.27 -2.85 116.57 119.53 1m4p h LYS 10 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1m4p h LYS 10 Cb 0.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1m4p h LYS 10 CO 0.01 0.00 0.00 -1.33 -2.27 0.00 0.00 179.45 175.86 1m4p n MET 11 N -2.78 0.81 0.00 1.90 2.81 0.32 -4.55 117.12 115.63 1m4p n MET 11 Ca 0.03 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.92 1m4p n MET 11 Cb 0.52 -1.47 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 -0.97 0.00 -2.49 2.03 0.24 -1.19 -4.46 118.33 111.49 1m4p n VAL 12 Ca 0.18 0.00 -0.03 0.00 -2.04 0.00 0.00 64.34 62.45 1m4p n VAL 12 Cb 0.08 0.00 -0.01 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 -0.98 0.00 -1.34 2.88 -1.08 -4.15 113.62 108.95 1m4p n SER 13 Ca 0.00 0.34 0.00 0.00 -1.33 0.00 0.00 58.87 57.88 1m4p n SER 13 Cb 0.00 -0.96 0.00 0.00 -0.75 0.00 0.00 64.21 62.50 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 -2.42 0.00 -1.12 -1.46 5.02 -1.26 -5.10 118.16 111.82 1m4p n LYS 14 Ca 0.01 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.93 1m4p n LYS 14 Cb 0.46 -0.09 -0.00 0.00 -0.02 0.00 0.00 35.03 35.38 1m4p n LYS 14 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1m4p n TYR 15 N -2.04 -1.78 -0.30 2.13 4.02 -1.26 -4.74 117.16 113.19 1m4p n TYR 15 Ca 0.00 0.55 0.13 0.00 -0.01 0.00 0.00 57.90 58.56 1m4p n TYR 15 Cb 0.00 -1.54 0.29 0.00 -0.02 0.00 0.00 39.34 38.07 1m4p n TYR 15 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 1m4p h LYS 16 N 0.30 0.21 -2.40 -0.72 3.11 -1.98 -3.03 116.57 112.06 1m4p h LYS 16 Ca -0.32 -0.01 -0.59 0.00 -2.81 0.00 0.00 60.65 56.92 1m4p h LYS 16 Cb 1.25 -0.05 -0.40 0.00 -1.00 0.00 0.00 32.23 32.03 1m4p h LYS 16 CO 0.41 0.14 -0.87 0.66 -2.81 0.00 0.00 179.45 176.98 1m4p n TYR 17 N -5.21 0.77 -0.35 1.91 4.01 -1.26 -4.95 117.16 112.08 1m4p n TYR 17 Ca 0.21 -3.71 0.11 0.00 -0.16 0.00 0.00 57.90 54.35 1m4p n TYR 17 Cb 0.67 -0.20 0.29 0.00 -0.31 0.00 0.00 39.34 39.79 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 4.95 0.77 0.76 -0.72 3.08 -1.86 0.43 114.38 121.79 1m4p h ARG 18 Ca 0.18 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.15 1m4p h ARG 18 Cb 0.83 -0.17 0.01 0.00 0.08 0.00 0.00 29.97 30.72 1m4p h ARG 18 CO 0.54 0.51 -0.37 0.22 -1.07 0.00 0.00 179.97 179.80 1m4p h ASP 19 N 0.79 -0.87 -0.91 7.04 3.58 -1.92 0.92 116.42 125.06 1m4p h ASP 19 Ca 0.55 0.02 0.15 0.00 0.42 0.00 0.00 57.03 58.16 1m4p h ASP 19 Cb 0.78 0.22 -0.07 0.00 1.72 0.00 0.00 39.33 41.98 1m4p h ASP 19 CO -0.36 -0.58 0.58 -0.07 -2.88 0.00 0.00 179.24 175.94 1m4p h LEU 20 N -1.09 0.68 0.16 2.28 4.07 -1.72 1.36 115.31 121.05 1m4p h LEU 20 Ca -0.10 0.04 -0.01 0.00 0.08 0.00 0.00 57.88 57.89 1m4p h LEU 20 Cb 0.80 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.45 1m4p h LEU 20 CO 0.17 0.34 -0.08 0.74 -1.08 0.00 0.00 178.44 178.53 1m4p h THR 21 N 0.71 0.97 -0.31 0.22 2.02 0.26 0.63 112.91 117.42 1m4p h THR 21 Ca 0.46 -0.80 -0.00 0.00 0.77 0.00 0.00 66.41 66.83 1m4p h THR 21 Cb 0.72 1.44 -0.01 0.00 -1.74 0.00 0.00 68.15 68.56 1m4p h THR 21 CO -0.22 0.18 0.17 0.58 0.37 0.00 0.00 175.52 176.61 1m4p h VAL 22 N -0.62 1.12 -0.19 3.16 2.07 0.19 0.54 116.25 122.52 1m4p h VAL 22 Ca -0.02 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 1m4p h VAL 22 Cb 0.46 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1m4p h VAL 22 CO 0.04 0.12 0.11 -0.09 0.02 0.00 0.00 177.57 177.77 1m4p h ARG 23 N 0.38 0.25 0.07 1.57 9.65 0.18 0.74 114.38 127.22 1m4p h ARG 23 Ca 0.11 -0.02 -0.20 0.00 -1.10 0.00 0.00 59.98 58.77 1m4p h ARG 23 Cb 0.04 -0.05 0.02 0.00 -1.39 0.00 0.00 29.97 28.59 1m4p h ARG 23 CO -0.02 0.18 -0.82 0.93 2.80 0.00 0.00 179.97 183.05 1m4p h GLU 24 N 0.26 0.43 -0.30 0.20 3.07 0.07 -0.80 114.58 117.51 1m4p h GLU 24 Ca 0.07 -0.56 -0.06 0.00 -0.50 0.00 0.00 59.36 58.31 1m4p h GLU 24 Cb -0.00 0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.08 1m4p h GLU 24 CO -0.01 1.21 -0.06 1.15 -1.40 0.00 0.00 179.01 179.90 1m4p h THR 25 N -0.09 1.28 -0.54 1.13 2.02 0.68 -1.86 112.91 115.53 1m4p h THR 25 Ca -0.12 -1.09 -0.10 0.00 0.77 0.00 0.00 66.41 65.87 1m4p h THR 25 Cb 1.55 1.37 -0.02 0.00 -1.74 0.00 0.00 68.15 69.32 1m4p h THR 25 CO 0.16 0.35 -0.06 -0.37 0.37 0.00 0.00 175.52 175.97 1m4p h VAL 26 N 0.34 1.27 -0.60 3.16 -1.51 0.38 -2.46 116.25 116.83 1m4p h VAL 26 Ca 0.08 -1.20 0.07 0.00 -1.23 0.00 0.00 66.70 64.42 1m4p h VAL 26 Cb 0.54 0.95 -0.06 0.00 -2.13 0.00 0.00 31.29 30.59 1m4p h VAL 26 CO 0.03 0.42 0.28 0.78 -1.23 0.00 0.00 177.57 177.85 1m4p h ASN 27 N 0.86 0.35 0.09 4.19 4.21 -1.01 0.91 115.58 125.18 1m4p h ASN 27 Ca 0.14 0.05 -0.00 0.00 1.21 0.00 0.00 56.30 57.70 1m4p h ASN 27 Cb 0.61 -0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.81 1m4p h ASN 27 CO 0.04 0.22 -0.06 0.58 -1.29 0.00 0.00 177.43 176.92 1m4p h VAL 28 N 0.51 0.00 -0.07 2.81 2.07 -1.07 0.68 116.25 121.17 1m4p h VAL 28 Ca 0.29 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.83 1m4p h VAL 28 Cb 0.27 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.04 1m4p h VAL 28 CO -0.24 0.00 0.34 0.16 0.02 0.00 0.00 177.57 177.86 1m4p h ILE 29 N -0.14 0.07 0.02 4.57 3.07 -1.27 1.06 117.51 124.88 1m4p h ILE 29 Ca -0.01 0.00 -0.22 0.00 1.55 0.00 0.00 64.86 66.18 1m4p h ILE 29 Cb 0.12 0.67 -0.02 0.00 -0.27 0.00 0.00 36.82 37.31 1m4p h ILE 29 CO 0.01 0.00 -1.04 0.74 -1.05 0.00 0.00 178.15 176.81 1m4p h THR 30 N 0.00 1.68 0.00 0.16 2.02 0.19 0.13 112.91 117.09 1m4p h THR 30 Ca 0.03 -3.36 -0.03 0.00 0.77 0.00 0.00 66.41 63.82 1m4p h THR 30 Cb 0.72 2.86 -0.00 0.00 -1.74 0.00 0.00 68.15 69.99 1m4p h THR 30 CO -0.00 0.96 -0.19 0.25 0.37 0.00 0.00 175.52 176.91 1m4p h LEU 31 N 0.01 0.00 0.00 2.58 5.85 0.71 -3.43 115.31 121.03 1m4p h LEU 31 Ca -0.03 -0.71 -0.07 0.00 0.84 0.00 0.00 57.88 57.91 1m4p h LEU 31 Cb 1.80 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.82 1m4p h LEU 31 CO 0.14 0.96 -1.23 -1.22 -0.34 0.00 0.00 178.44 176.76 1m4p n TYR 32 N -4.62 0.01 -0.96 1.25 4.01 0.54 -5.01 117.16 112.38 1m4p n TYR 32 Ca -0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.63 1m4p n TYR 32 Cb 0.41 -0.58 0.00 0.00 -0.31 0.00 0.00 39.34 38.86 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 -4.43 0.00 -0.04 -0.72 4.81 0.45 -4.91 118.16 113.32 1m4p n LYS 33 Ca -0.20 0.45 0.03 0.00 -0.87 0.00 0.00 58.31 57.71 1m4p n LYS 33 Cb 0.57 -3.71 -0.14 0.00 0.02 0.00 0.00 35.03 31.78 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 1.86 0.76 -4.03 3.14 8.00 -1.26 -4.98 116.55 120.04 1m4p n ASP 34 Ca 0.00 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.20 1m4p n ASP 34 Cb 0.02 1.49 0.20 0.00 -0.02 0.00 0.00 41.12 42.81 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 -4.66 2.58 -0.30 0.64 2.01 -1.26 -2.86 118.68 114.83 1m4p s LEU 35 Ca -0.07 0.25 -0.09 0.00 0.01 0.00 0.00 54.13 54.22 1m4p s LEU 35 Cb 0.09 -2.22 0.13 0.00 0.01 0.00 0.00 46.19 44.20 1m4p s LEU 35 CO 0.75 -2.91 0.64 -0.75 1.01 0.00 0.00 176.35 175.08 1m4p s LYS 36 N -5.89 0.57 0.02 1.70 2.20 0.26 -4.84 119.74 113.76 1m4p s LYS 36 Ca 0.75 1.42 -0.30 0.00 -0.36 0.00 0.00 55.97 57.47 1m4p s LYS 36 Cb -0.04 0.84 -0.05 0.00 -1.51 0.00 0.00 37.83 37.08 1m4p s LYS 36 CO 0.54 -0.23 1.18 -1.25 -0.36 0.00 0.00 175.35 175.23 1m4p s PRO 37 N 2.89 4.42 0.10 4.03 0.04 -1.26 -0.47 135.00 144.74 1m4p s PRO 37 Ca -0.04 1.72 0.03 0.00 0.04 0.00 0.00 61.00 62.75 1m4p s PRO 37 Cb -0.12 -3.42 -0.04 0.00 0.04 0.00 0.00 34.50 30.96 1m4p s PRO 37 CO -0.19 -0.30 -0.09 0.14 0.04 0.00 0.00 177.00 176.60 1m4p s VAL 38 N 1.40 0.91 -0.24 -0.36 -7.23 0.22 -4.96 120.40 110.15 1m4p s VAL 38 Ca 0.57 -1.74 -0.08 0.00 -1.81 0.00 0.00 61.98 58.93 1m4p s VAL 38 Cb -0.27 -1.47 -0.03 0.00 0.56 0.00 0.00 36.38 35.16 1m4p s VAL 38 CO 0.27 -0.64 0.08 -0.22 -0.31 0.00 0.00 175.10 174.28 1m4p s LEU 39 N -2.64 3.58 0.17 1.32 1.98 -1.26 0.19 118.68 122.01 1m4p s LEU 39 Ca 0.08 -0.13 0.09 0.00 -2.89 0.00 0.00 54.13 51.28 1m4p s LEU 39 Cb -0.01 -1.95 -0.04 0.00 0.66 0.00 0.00 46.19 44.85 1m4p s LEU 39 CO -0.01 0.01 -0.19 -0.62 -1.89 0.00 0.00 176.35 173.65 1m4p s ASP 40 N 1.36 2.81 -0.04 3.68 -1.08 -0.92 -4.94 116.67 117.54 1m4p s ASP 40 Ca 0.05 -0.88 -0.02 0.00 -0.52 0.00 0.00 52.55 51.19 1m4p s ASP 40 Cb -0.15 -0.17 0.03 0.00 -1.46 0.00 0.00 42.92 41.17 1m4p s ASP 40 CO 0.04 -0.02 0.05 -0.55 0.52 0.00 0.00 175.17 175.21 1m4p s SER 41 N -2.73 1.05 0.07 -0.34 0.15 -1.26 -2.55 113.70 108.09 1m4p s SER 41 Ca 0.17 0.06 -0.16 0.00 0.70 0.00 0.00 55.95 56.72 1m4p s SER 41 Cb -0.06 -0.15 0.03 0.00 -1.71 0.00 0.00 66.02 64.13 1m4p s SER 41 CO 0.07 -0.23 0.38 -0.47 1.20 0.00 0.00 173.24 174.19 1m4p s TYR 42 N 2.03 -0.20 0.25 3.44 5.04 -0.70 -4.86 117.35 122.35 1m4p s TYR 42 Ca 0.03 0.04 -0.27 0.00 -2.44 0.00 0.00 57.07 54.43 1m4p s TYR 42 Cb -0.12 0.19 -0.09 0.00 0.35 0.00 0.00 41.96 42.29 1m4p s TYR 42 CO -0.03 -0.59 0.90 0.14 -1.34 0.00 0.00 175.55 174.63 1m4p s VAL 43 N -2.94 4.19 0.29 3.14 -7.23 -1.26 0.19 120.40 116.78 1m4p s VAL 43 Ca -0.02 1.90 0.00 0.00 -1.81 0.00 0.00 61.98 62.05 1m4p s VAL 43 Cb 0.00 -4.18 0.00 0.00 0.56 0.00 0.00 36.38 32.77 1m4p s VAL 43 CO -0.06 0.38 0.00 0.49 -0.31 0.00 0.00 175.10 175.60 1m4p n PHE 44 N 1.17 -2.74 -1.54 2.82 3.72 -0.97 -4.64 117.46 115.28 1m4p n PHE 44 Ca -0.01 0.61 -0.14 0.00 -0.05 0.00 0.00 57.45 57.86 1m4p n PHE 44 Cb 0.48 1.18 -0.09 0.00 -0.94 0.00 0.00 39.48 40.11 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 -3.37 1.27 -1.69 4.37 3.02 -1.25 -2.33 115.26 115.29 1m4p n ASN 45 Ca 0.00 -1.51 -0.11 0.00 -0.03 0.00 0.00 54.58 52.93 1m4p n ASN 45 Cb 0.00 -1.52 -0.03 0.00 -0.61 0.00 0.00 39.78 37.62 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 17.08 -3.06 -0.30 6.41 2.03 -1.26 -1.89 116.55 135.56 1m4p n ASP 46 Ca 0.48 0.26 0.00 0.00 0.52 0.00 0.00 54.79 56.04 1m4p n ASP 46 Cb 0.40 -2.84 0.00 0.00 -0.72 0.00 0.00 41.12 37.97 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 -0.39 0.82 2.80 0.27 0.00 -0.98 -5.10 105.19 102.61 1m4p n GLY 47 Ca -0.11 -0.58 -0.29 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.04 3.35 0.05 1.61 0.15 -0.79 -4.76 113.70 111.26 1m4p s SER 48 Ca 0.00 -1.04 -0.35 0.00 0.70 0.00 0.00 55.95 55.26 1m4p s SER 48 Cb 0.00 -0.82 -0.18 0.00 -1.71 0.00 0.00 66.02 63.31 1m4p s SER 48 CO 0.00 -0.30 0.89 -1.20 1.20 0.00 0.00 173.24 173.83 1m4p n SER 49 N 4.90 -0.29 -4.01 5.45 7.64 -1.26 -2.30 113.62 123.75 1m4p n SER 49 Ca -0.09 1.10 -0.20 0.00 1.01 0.00 0.00 58.87 60.68 1m4p n SER 49 Cb 0.45 -0.88 -0.15 0.00 -1.01 0.00 0.00 64.21 62.62 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 -0.23 0.98 -0.16 1.43 3.52 0.51 -4.82 118.95 120.17 1m4p s ARG 50 Ca 0.80 -0.32 -0.05 0.00 -0.13 0.00 0.00 55.73 56.03 1m4p s ARG 50 Cb -1.13 -0.91 -0.03 0.00 -1.56 0.00 0.00 34.95 31.31 1m4p s ARG 50 CO 0.54 0.13 0.01 -2.00 -0.81 0.00 0.00 175.30 173.17 1m4p s GLU 51 N 0.15 3.79 -0.05 5.12 2.12 -1.26 -1.72 118.70 126.85 1m4p s GLU 51 Ca -0.03 -0.43 -0.29 0.00 0.36 0.00 0.00 54.97 54.58 1m4p s GLU 51 Cb -0.08 -3.05 0.10 0.00 0.26 0.00 0.00 34.13 31.36 1m4p s GLU 51 CO 0.00 0.28 0.85 -0.48 -0.54 0.00 0.00 175.26 175.37 1m4p s LEU 52 N 0.31 -0.45 -0.06 2.70 -0.00 -1.06 -4.93 118.68 115.19 1m4p s LEU 52 Ca -0.00 0.28 -0.27 0.00 -0.00 0.00 0.00 54.13 54.14 1m4p s LEU 52 Cb -0.13 2.14 -0.03 0.00 -0.00 0.00 0.00 46.19 48.18 1m4p s LEU 52 CO 0.02 -0.57 0.86 -0.32 -0.00 0.00 0.00 176.35 176.34 1m4p s MET 53 N -2.12 4.45 0.17 1.48 -2.45 -1.15 -2.17 119.30 117.51 1m4p s MET 53 Ca -0.01 1.15 0.07 0.00 -1.25 0.00 0.00 55.69 55.65 1m4p s MET 53 Cb -0.01 -3.48 -0.04 0.00 1.25 0.00 0.00 34.83 32.55 1m4p s MET 53 CO -0.02 -0.09 0.03 1.21 1.05 0.00 0.00 175.02 177.20 1m4p s ASN 54 N 0.97 4.95 -0.13 1.11 2.47 0.50 0.35 114.94 125.16 1m4p s ASN 54 Ca 0.44 -0.32 -0.05 0.00 0.42 0.00 0.00 52.86 53.35 1m4p s ASN 54 Cb -0.19 -1.12 -0.04 0.00 -1.45 0.00 0.00 41.25 38.45 1m4p s ASN 54 CO 0.21 0.09 0.05 -0.76 -3.72 0.00 0.00 177.10 172.97 1m4p s LEU 55 N -2.94 3.84 -0.11 3.21 2.01 0.30 0.71 118.68 125.70 1m4p s LEU 55 Ca 0.28 0.19 -0.09 0.00 0.01 0.00 0.00 54.13 54.53 1m4p s LEU 55 Cb -0.10 -1.92 0.03 0.00 0.01 0.00 0.00 46.19 44.21 1m4p s LEU 55 CO 0.20 0.31 0.27 0.28 1.01 0.00 0.00 176.35 178.42 1m4p s THR 56 N -0.47 -0.01 -3.88 5.49 -1.32 0.38 -2.33 115.64 113.49 1m4p s THR 56 Ca 0.10 0.04 0.00 0.00 -1.21 0.00 0.00 61.69 60.61 1m4p s THR 56 Cb -0.12 -0.39 0.00 0.00 -1.51 0.00 0.00 72.50 70.48 1m4p s THR 56 CO 0.02 0.01 0.00 0.61 -2.21 0.00 0.00 174.62 173.05 1m4p n GLY 57 N 3.27 -1.17 2.79 6.08 0.00 -1.23 0.90 105.19 115.83 1m4p n GLY 57 Ca -0.16 -1.10 -0.29 0.00 0.00 0.00 0.00 46.02 44.47 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 0.92 0.33 2.61 -4.23 -1.14 -1.90 115.64 109.23 1m4p s THR 58 Ca 0.00 -1.02 -0.19 0.00 -1.18 0.00 0.00 61.69 59.31 1m4p s THR 58 Cb 0.00 -1.45 -0.09 0.00 1.34 0.00 0.00 72.50 72.30 1m4p s THR 58 CO 0.00 -0.33 0.81 0.27 -0.54 0.00 0.00 174.62 174.82 1m4p s ILE 59 N 1.65 4.54 -0.34 2.99 -4.36 -0.32 -4.73 121.20 120.63 1m4p s ILE 59 Ca 0.01 1.24 -0.29 0.00 -0.26 0.00 0.00 60.65 61.36 1m4p s ILE 59 Cb -0.18 -3.70 0.00 0.00 1.25 0.00 0.00 42.46 39.84 1m4p s ILE 59 CO -0.13 -0.10 1.37 -2.16 0.24 0.00 0.00 174.94 174.16 1m4p s PRO 60 N -2.73 3.77 -0.39 0.37 0.04 -1.26 -1.83 135.00 132.97 1m4p s PRO 60 Ca 0.53 1.16 -0.09 0.00 0.04 0.00 0.00 61.00 62.64 1m4p s PRO 60 Cb -0.12 -3.95 0.06 0.00 0.04 0.00 0.00 34.50 30.52 1m4p s PRO 60 CO 0.18 -1.31 0.21 0.08 0.04 0.00 0.00 177.00 176.20 1m4p s VAL 61 N 4.87 4.25 0.63 -0.36 1.01 -0.20 -4.94 120.40 125.67 1m4p s VAL 61 Ca 0.60 -1.18 -0.14 0.00 0.00 0.00 0.00 61.98 61.26 1m4p s VAL 61 Cb -0.16 -3.50 -0.02 0.00 0.00 0.00 0.00 36.38 32.70 1m4p s VAL 61 CO 0.27 -0.36 1.05 -2.16 0.00 0.00 0.00 175.10 173.90 1m4p s PRO 62 N 1.46 3.19 -0.02 2.72 0.04 -1.26 -0.58 135.00 140.55 1m4p s PRO 62 Ca 0.02 1.08 0.02 0.00 0.04 0.00 0.00 61.00 62.16 1m4p s PRO 62 Cb -0.21 -2.02 0.03 0.00 0.04 0.00 0.00 34.50 32.34 1m4p s PRO 62 CO 0.04 -0.91 0.83 0.98 0.04 0.00 0.00 177.00 177.98 1m4p n TYR 63 N -2.49 0.00 -1.41 0.56 9.36 0.25 -4.69 117.16 118.74 1m4p n TYR 63 Ca 0.08 -0.17 0.00 0.00 3.32 0.00 0.00 57.90 61.13 1m4p n TYR 63 Cb 0.53 -0.04 0.00 0.00 -0.63 0.00 0.00 39.34 39.20 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 -0.22 0.00 0.00 2.98 0.63 -1.26 -4.63 116.66 114.15 1m4p n ARG 64 Ca 0.02 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.95 1m4p n ARG 64 Cb 0.57 -1.42 0.00 0.00 0.45 0.00 0.00 32.46 32.05 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 -1.38 1.21 2.98 5.14 0.00 -1.26 -5.09 105.19 106.79 1m4p n GLY 65 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.39 -0.13 -0.26 1.61 -0.87 -1.26 -5.13 114.94 108.51 1m4p s ASN 66 Ca 0.00 0.27 0.02 0.00 -1.57 0.00 0.00 52.86 51.59 1m4p s ASN 66 Cb 0.00 0.24 0.06 0.00 -0.02 0.00 0.00 41.25 41.53 1m4p s ASN 66 CO 0.00 -0.08 -0.07 -0.89 -2.57 0.00 0.00 177.10 173.49 1m4p s THR 67 N 0.43 1.94 0.00 1.60 2.01 -1.26 0.86 115.64 121.22 1m4p s THR 67 Ca -0.03 -1.55 0.00 0.00 0.31 0.00 0.00 61.69 60.42 1m4p s THR 67 Cb -0.04 -2.14 0.00 0.00 0.01 0.00 0.00 72.50 70.33 1m4p s THR 67 CO -0.02 -0.11 0.00 -1.22 -0.69 0.00 0.00 174.62 172.58 1m4p n TYR 68 N 4.50 -2.97 -4.00 4.92 4.02 0.25 -4.70 117.16 119.19 1m4p n TYR 68 Ca -0.12 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.47 1m4p n TYR 68 Cb 0.43 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.58 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 2.91 -0.06 7.72 0.01 -1.26 -1.03 114.94 122.22 1m4p s ASN 69 Ca 0.00 -0.62 0.02 0.00 -0.71 0.00 0.00 52.86 51.55 1m4p s ASN 69 Cb 0.00 -1.17 -0.03 0.00 0.41 0.00 0.00 41.25 40.47 1m4p s ASN 69 CO 0.00 -0.10 -0.10 -0.51 -1.51 0.00 0.00 177.10 174.88 1m4p s ILE 70 N 1.48 3.42 0.45 0.60 1.10 -0.76 -4.91 121.20 122.57 1m4p s ILE 70 Ca 0.03 -0.59 -0.22 0.00 -0.51 0.00 0.00 60.65 59.36 1m4p s ILE 70 Cb -0.14 -2.38 -0.09 0.00 0.15 0.00 0.00 42.46 40.01 1m4p s ILE 70 CO -0.10 0.59 1.05 -2.16 -2.11 0.00 0.00 174.94 172.21 1m4p s PRO 71 N -0.74 3.96 -0.02 3.50 0.04 -1.26 -1.18 135.00 139.31 1m4p s PRO 71 Ca 0.11 1.44 0.02 0.00 0.04 0.00 0.00 61.00 62.61 1m4p s PRO 71 Cb -0.11 -2.30 0.00 0.00 0.04 0.00 0.00 34.50 32.13 1m4p s PRO 71 CO 0.01 -0.30 -0.08 0.42 0.04 0.00 0.00 177.00 177.08 1m4p s ILE 72 N -1.83 0.69 -0.12 0.56 -1.09 -0.80 -4.10 121.20 114.51 1m4p s ILE 72 Ca 0.63 -0.33 -0.01 0.00 -2.23 0.00 0.00 60.65 58.71 1m4p s ILE 72 Cb -0.19 -0.61 0.03 0.00 -1.58 0.00 0.00 42.46 40.11 1m4p s ILE 72 CO 0.24 0.21 -0.04 0.00 -1.23 0.00 0.00 174.94 174.12 1m4p s LEU 74 N 1.80 1.25 -1.07 0.00 2.01 -0.98 -2.26 118.68 119.43 1m4p s LEU 74 Ca 0.04 -0.23 -0.15 0.00 0.01 0.00 0.00 54.13 53.79 1m4p s LEU 74 Cb -0.13 -0.70 0.17 0.00 0.01 0.00 0.00 46.19 45.54 1m4p s LEU 74 CO -0.07 -0.08 1.24 0.26 1.01 0.00 0.00 176.35 178.72 1m4p s TRP 75 N 1.30 3.43 -0.68 0.29 0.52 -1.09 0.11 118.94 122.83 1m4p s TRP 75 Ca -0.04 -1.88 -0.26 0.00 0.02 0.00 0.00 56.10 53.94 1m4p s TRP 75 Cb -0.14 -4.23 -0.10 0.00 -1.15 0.00 0.00 33.47 27.85 1m4p s TRP 75 CO -0.03 -1.37 2.34 -1.17 0.02 0.00 0.00 176.95 176.74 1m4p s LEU 76 N 1.69 3.12 0.00 2.99 2.96 0.15 -3.92 118.68 125.67 1m4p s LEU 76 Ca 0.36 0.40 -0.02 0.00 -0.22 0.00 0.00 54.13 54.65 1m4p s LEU 76 Cb -0.05 -2.53 0.03 0.00 0.50 0.00 0.00 46.19 44.14 1m4p s LEU 76 CO -0.05 -3.33 0.11 0.18 -1.32 0.00 0.00 176.35 171.94 1m4p n LEU 77 N 16.92 0.00 -0.08 -0.68 7.99 -1.26 -2.95 117.00 136.94 1m4p n LEU 77 Ca 0.41 -0.11 -0.08 0.00 -0.01 0.00 0.00 56.01 56.22 1m4p n LEU 77 Cb 0.48 -0.10 -0.14 0.00 -0.11 0.00 0.00 43.42 43.56 1m4p n LEU 77 CO 0.62 -1.21 -1.06 0.47 -1.51 0.00 0.00 177.39 174.71 1m4p n ASP 78 N -3.20 0.70 0.00 -1.43 8.00 -1.26 -4.84 116.55 114.52 1m4p n ASP 78 Ca 0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.51 1m4p n ASP 78 Cb 0.06 0.96 0.00 0.00 -0.02 0.00 0.00 41.12 42.12 1m4p n ASP 78 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 1m4p n THR 79 N -2.63 0.00 -3.58 -3.53 5.66 -1.26 -3.87 114.28 105.06 1m4p n THR 79 Ca -0.28 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.63 1m4p n THR 79 Cb 1.05 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.78 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 0.00 -0.32 -0.08 1.09 5.04 -1.26 -4.78 117.35 117.03 1m4p s TYR 80 Ca 0.00 0.53 -0.27 0.00 -2.44 0.00 0.00 57.07 54.89 1m4p s TYR 80 Cb 0.00 0.46 -0.23 0.00 0.35 0.00 0.00 41.96 42.54 1m4p s TYR 80 CO 0.00 -0.31 1.00 -1.00 -1.34 0.00 0.00 175.55 173.90 1m4p h PRO 81 N 2.46 -0.01 0.00 4.97 0.13 -1.96 -3.39 132.00 134.21 1m4p h PRO 81 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 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 0.30 0.73 -0.14 0.66 -0.23 0.00 0.00 178.00 179.32 1m4p n TYR 82 N -4.74 0.00 0.00 1.56 4.02 -1.26 -4.99 117.16 111.75 1m4p n TYR 82 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.80 1m4p n TYR 82 Cb 0.36 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.68 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 -1.07 0.00 -4.62 7.72 5.15 -1.26 -5.10 115.26 116.08 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 0.04 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.27 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 3.75 0.40 1.20 0.04 -1.26 -4.79 135.00 134.33 1m4p s PRO 84 Ca 0.00 1.13 -0.07 0.00 0.04 0.00 0.00 61.00 62.10 1m4p s PRO 84 Cb 0.00 -3.96 0.09 0.00 0.04 0.00 0.00 34.50 30.68 1m4p s PRO 84 CO 0.00 -1.34 0.44 -0.35 0.04 0.00 0.00 177.00 175.79 1m4p n PRO 85 N 7.70 -1.10 -2.02 0.56 -0.04 -1.26 -4.04 135.00 134.79 1m4p n PRO 85 Ca 0.16 -0.69 -0.43 0.00 -0.04 0.00 0.00 63.50 62.51 1m4p n PRO 85 Cb 0.47 -0.54 -0.03 0.00 -0.04 0.00 0.00 33.50 33.37 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 -1.88 3.56 -0.36 0.52 1.01 -1.25 -4.89 121.20 117.91 1m4p s ILE 86 Ca 0.26 0.63 -0.12 0.00 0.00 0.00 0.00 60.65 61.43 1m4p s ILE 86 Cb -0.02 -3.57 0.01 0.00 0.01 0.00 0.00 42.46 38.90 1m4p s ILE 86 CO 0.19 -0.24 0.22 0.00 0.00 0.00 0.00 174.94 175.12 1m4p s PHE 88 N 1.62 -0.74 0.24 0.00 -0.71 -0.96 -1.86 117.98 115.57 1m4p s PHE 88 Ca 0.04 1.71 -0.23 0.00 -1.04 0.00 0.00 56.93 57.41 1m4p s PHE 88 Cb -0.18 0.29 -0.09 0.00 -1.21 0.00 0.00 43.02 41.83 1m4p s PHE 88 CO 0.08 -0.42 0.80 0.54 -1.34 0.00 0.00 175.22 174.87 1m4p s VAL 89 N 0.03 4.42 -0.68 -2.49 0.11 -0.95 -1.54 120.40 119.30 1m4p s VAL 89 Ca -0.02 1.53 0.02 0.00 -2.93 0.00 0.00 61.98 60.58 1m4p s VAL 89 Cb -0.04 -3.97 0.17 0.00 -1.53 0.00 0.00 36.38 31.01 1m4p s VAL 89 CO 0.03 0.27 0.48 -1.59 -3.33 0.00 0.00 175.10 170.96 1m4p s LYS 90 N -1.79 2.51 1.07 1.54 0.00 -1.26 -4.12 119.74 117.69 1m4p s LYS 90 Ca 0.43 -3.05 -0.17 0.00 0.00 0.00 0.00 55.97 53.18 1m4p s LYS 90 Cb -0.19 -3.54 0.23 0.00 0.00 0.00 0.00 37.83 34.34 1m4p s LYS 90 CO 0.23 -1.22 1.21 -1.25 0.00 0.00 0.00 175.35 174.32 1m4p s PRO 91 N -0.96 -0.16 0.00 1.78 0.04 -1.26 -4.72 135.00 129.72 1m4p s PRO 91 Ca 0.22 -0.19 0.00 0.00 0.04 0.00 0.00 61.00 61.07 1m4p s PRO 91 Cb -0.13 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.68 1m4p s PRO 91 CO -0.10 -2.98 0.00 0.25 0.04 0.00 0.00 177.00 174.21 1m4p n THR 92 N -4.22 0.00 -0.10 1.26 -2.24 -1.26 -5.03 114.28 102.69 1m4p n THR 92 Ca 0.14 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.81 1m4p n THR 92 Cb 0.59 -1.39 -0.16 0.00 -2.10 0.00 0.00 70.33 67.28 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 0.16 -0.14 3.42 7.64 -1.26 -4.13 113.62 119.31 1m4p n SER 93 Ca 0.00 -0.00 0.09 0.00 1.01 0.00 0.00 58.87 59.97 1m4p n SER 93 Cb 0.00 0.88 0.50 0.00 -1.01 0.00 0.00 64.21 64.57 1m4p n SER 93 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1m4p n SER 94 N -2.79 0.42 -1.80 6.43 2.88 -1.26 -4.82 113.62 112.67 1m4p n SER 94 Ca -0.34 -1.50 0.00 0.00 -1.33 0.00 0.00 58.87 55.70 1m4p n SER 94 Cb 1.15 -0.03 0.00 0.00 -0.75 0.00 0.00 64.21 64.58 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 -0.50 1.12 -3.40 -1.46 2.00 -1.26 -4.62 117.12 109.00 1m4p n MET 95 Ca 0.14 0.00 -0.07 0.00 0.00 0.00 0.00 57.70 57.77 1m4p n MET 95 Cb 0.13 0.00 -0.07 0.00 0.00 0.00 0.00 33.22 33.28 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 0.93 -0.67 0.39 2.03 2.01 -1.26 -4.97 115.64 114.11 1m4p s THR 96 Ca 0.00 -0.01 -0.20 0.00 0.31 0.00 0.00 61.69 61.80 1m4p s THR 96 Cb 0.00 -0.81 -0.10 0.00 0.01 0.00 0.00 72.50 71.60 1m4p s THR 96 CO 0.00 -0.06 0.89 -0.51 -0.69 0.00 0.00 174.62 174.25 1m4p s ILE 97 N 2.61 4.45 -0.29 1.82 2.07 -1.26 -3.00 121.20 127.61 1m4p s ILE 97 Ca 0.10 1.37 -0.04 0.00 -1.41 0.00 0.00 60.65 60.68 1m4p s ILE 97 Cb -0.15 -3.63 0.03 0.00 0.13 0.00 0.00 42.46 38.84 1m4p s ILE 97 CO -0.16 -0.25 0.01 -0.75 -1.91 0.00 0.00 174.94 171.88 1m4p s LYS 98 N -3.05 2.78 -0.12 3.50 2.20 -1.18 -4.95 119.74 118.92 1m4p s LYS 98 Ca 0.59 -1.04 -0.07 0.00 -0.36 0.00 0.00 55.97 55.09 1m4p s LYS 98 Cb -0.10 -3.20 -0.04 0.00 -1.51 0.00 0.00 37.83 32.98 1m4p s LYS 98 CO 0.15 -0.50 0.14 0.95 -0.36 0.00 0.00 175.35 175.73 1m4p s THR 99 N 1.37 5.50 0.00 3.43 -4.23 -1.26 -4.08 115.64 116.37 1m4p s THR 99 Ca -0.01 0.22 0.00 0.00 -1.18 0.00 0.00 61.69 60.72 1m4p s THR 99 Cb -0.18 -3.41 0.00 0.00 1.34 0.00 0.00 72.50 70.25 1m4p s THR 99 CO -0.01 0.61 0.00 0.61 -0.54 0.00 0.00 174.62 175.29 1m4p n GLY 100 N 2.07 -0.40 1.65 3.99 0.00 -0.86 -4.92 105.19 106.72 1m4p n GLY 100 Ca -0.20 0.38 -0.07 0.00 0.00 0.00 0.00 46.02 46.13 1m4p n GLY 100 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1m4p n LYS 101 N 0.00 2.65 0.08 1.61 2.85 -1.26 -4.32 118.16 119.77 1m4p n LYS 101 Ca 0.00 -2.06 0.00 0.00 -1.05 0.00 0.00 58.31 55.20 1m4p n LYS 101 Cb 0.00 -1.89 0.00 0.00 -0.65 0.00 0.00 35.03 32.49 1m4p n LYS 101 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1m4p n HIS 102 N -0.14 -1.28 -3.45 5.58 8.25 -1.26 -4.90 115.22 118.01 1m4p n HIS 102 Ca 0.30 0.23 -0.21 0.00 -0.26 0.00 0.00 57.72 57.77 1m4p n HIS 102 Cb 1.11 0.44 0.00 0.00 1.12 0.00 0.00 29.99 32.66 1m4p n HIS 102 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1m4p s VAL 103 N -1.61 2.31 -0.03 1.59 1.01 -1.26 -2.52 120.40 119.89 1m4p s VAL 103 Ca 0.00 -1.26 -0.04 0.00 0.00 0.00 0.00 61.98 60.68 1m4p s VAL 103 Cb 0.00 -2.57 -0.02 0.00 0.00 0.00 0.00 36.38 33.79 1m4p s VAL 103 CO 0.00 0.00 -0.10 -0.67 0.00 0.00 0.00 175.10 174.33 1m4p n ASP 104 N -1.81 0.93 0.00 3.32 2.03 -1.20 -2.02 116.55 117.79 1m4p n ASP 104 Ca 0.06 0.14 0.00 0.00 0.52 0.00 0.00 54.79 55.51 1m4p n ASP 104 Cb 0.62 -0.33 0.00 0.00 -0.72 0.00 0.00 41.12 40.69 1m4p n ASP 104 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1m4p n ALA 105 N -3.54 0.00 1.45 -1.67 0.00 -1.26 -4.65 120.51 110.83 1m4p n ALA 105 Ca -0.09 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.49 1m4p n ALA 105 Cb 0.38 0.00 0.71 0.00 0.00 0.00 0.00 19.45 20.54 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 0.18 0.00 0.00 4.13 -1.26 -4.87 115.26 113.44 1m4p n ASN 106 Ca 0.00 -0.36 0.00 0.00 1.68 0.00 0.00 54.58 55.90 1m4p n ASN 106 Cb 0.00 -0.18 0.00 0.00 -1.54 0.00 0.00 39.78 38.06 1m4p n ASN 106 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1m4p n GLY 107 N 1.27 1.31 3.73 7.41 0.00 -1.26 -4.51 105.19 113.13 1m4p n GLY 107 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.98 4.13 0.55 1.61 2.47 -1.26 -2.23 119.74 124.02 1m4p s LYS 108 Ca 0.00 2.59 -0.17 0.00 -1.56 0.00 0.00 55.97 56.83 1m4p s LYS 108 Cb 0.00 -3.06 -0.06 0.00 -1.46 0.00 0.00 37.83 33.25 1m4p s LYS 108 CO 0.00 -0.72 1.04 0.42 0.16 0.00 0.00 175.35 176.25 1m4p s ILE 109 N 0.88 3.90 -0.41 5.43 1.01 -0.78 -3.26 121.20 127.97 1m4p s ILE 109 Ca 0.72 0.98 0.08 0.00 0.00 0.00 0.00 60.65 62.43 1m4p s ILE 109 Cb -0.49 -3.44 0.27 0.00 0.01 0.00 0.00 42.46 38.80 1m4p s ILE 109 CO 0.36 -0.45 0.65 0.00 0.00 0.00 0.00 174.94 175.50 1m4p n TYR 110 N -1.67 -0.94 -4.29 3.97 9.36 -1.05 -4.97 117.16 117.57 1m4p n TYR 110 Ca 0.09 -3.21 -0.22 0.00 3.32 0.00 0.00 57.90 57.88 1m4p n TYR 110 Cb 0.53 0.08 -0.12 0.00 -0.63 0.00 0.00 39.34 39.20 1m4p n TYR 110 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 1m4p s LEU 111 N -1.34 2.35 -0.48 2.98 2.01 -1.26 -4.75 118.68 118.19 1m4p s LEU 111 Ca 0.35 -0.75 -0.06 0.00 0.01 0.00 0.00 54.13 53.68 1m4p s LEU 111 Cb 0.22 -0.80 -0.15 0.00 0.01 0.00 0.00 46.19 45.46 1m4p s LEU 111 CO -0.13 -0.00 2.71 -0.81 1.01 0.00 0.00 176.35 179.13 1m4p n PRO 112 N 0.80 2.00 -0.07 1.29 -0.04 -1.26 -3.76 135.00 133.96 1m4p n PRO 112 Ca -0.17 -1.15 -0.09 0.00 -0.04 0.00 0.00 63.50 62.05 1m4p n PRO 112 Cb 0.55 -2.16 -0.07 0.00 -0.04 0.00 0.00 33.50 31.78 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 3.13 0.00 -0.15 0.54 0.18 -1.26 -4.16 117.16 115.44 1m4p n TYR 113 Ca 0.43 0.00 -0.09 0.00 1.88 0.00 0.00 57.90 60.12 1m4p n TYR 113 Cb 0.49 -0.56 0.04 0.00 -0.38 0.00 0.00 39.34 38.94 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 0.00 0.95 -3.92 -3.48 6.46 -2.01 -2.50 115.31 110.81 1m4p h LEU 114 Ca -0.32 -0.32 -0.56 0.00 -0.12 0.00 0.00 57.88 56.56 1m4p h LEU 114 Cb 1.56 -0.26 -0.29 0.00 -0.73 0.00 0.00 40.66 40.95 1m4p h LEU 114 CO -0.03 1.09 0.72 1.57 -0.62 0.00 0.00 178.44 181.17 1m4p n HIS 115 N -4.13 2.99 0.00 1.25 -0.00 -1.26 -4.37 115.22 109.69 1m4p n HIS 115 Ca 0.01 -2.30 0.00 0.00 0.46 0.00 0.00 57.72 55.89 1m4p n HIS 115 Cb 0.41 -1.14 0.00 0.00 -0.12 0.00 0.00 29.99 29.14 1m4p n HIS 115 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 1m4p n GLU 116 N -0.94 0.00 0.00 1.57 1.02 -0.97 -4.99 120.64 116.32 1m4p n GLU 116 Ca 0.58 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.72 1m4p n GLU 116 Cb 1.18 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.60 1m4p n GLU 116 CO 0.00 0.00 0.00 1.87 1.18 0.00 0.00 177.13 180.18 1m4p n TRP 117 N -1.24 0.00 -4.41 -0.32 -0.00 -1.01 -4.72 117.44 105.74 1m4p n TRP 117 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 57.50 57.13 1m4p n TRP 117 Cb 0.00 0.00 -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 -0.81 -0.20 5.87 4.81 -1.26 -4.77 118.16 121.44 1m4p n LYS 118 Ca 0.00 0.12 -0.01 0.00 -0.87 0.00 0.00 58.31 57.54 1m4p n LYS 118 Cb 0.00 -4.16 0.10 0.00 0.02 0.00 0.00 35.03 30.99 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 -1.23 0.47 -0.03 5.64 2.76 -1.96 -3.45 115.15 117.35 1m4p h HIS 119 Ca -0.61 0.03 -0.14 0.00 -2.20 0.00 0.00 60.37 57.44 1m4p h HIS 119 Cb 1.37 -0.12 0.01 0.00 1.55 0.00 0.00 27.41 30.22 1m4p h HIS 119 CO 0.62 0.17 -0.54 -1.00 -1.30 0.00 0.00 177.93 175.88 1m4p h PRO 120 N 0.48 0.42 0.00 5.26 0.13 -1.99 -3.49 132.00 132.80 1m4p h PRO 120 Ca 0.29 -0.41 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 1m4p h PRO 120 Cb 0.29 0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.53 1m4p h PRO 120 CO -0.25 1.07 0.00 0.94 -0.23 0.00 0.00 178.00 179.53 1m4p n GLN 121 N -4.25 0.00 -1.01 0.86 -0.06 -1.26 -4.79 117.38 106.86 1m4p n GLN 121 Ca -0.10 0.00 -0.35 0.00 -2.00 0.00 0.00 57.00 54.55 1m4p n GLN 121 Cb 0.64 0.00 0.03 0.00 -4.06 0.00 0.00 30.24 26.85 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 0.00 -5.13 -4.04 1.69 2.88 -1.26 -5.00 113.62 102.77 1m4p n SER 122 Ca 0.00 0.29 -0.23 0.00 -1.33 0.00 0.00 58.87 57.60 1m4p n SER 122 Cb 0.00 -0.74 -0.08 0.00 -0.75 0.00 0.00 64.21 62.63 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 -0.95 2.39 0.27 -3.46 1.01 -1.26 -4.98 116.67 109.69 1m4p s ASP 123 Ca 0.42 -1.64 0.00 0.00 0.71 0.00 0.00 52.55 52.05 1m4p s ASP 123 Cb -0.25 0.45 0.56 0.00 1.01 0.00 0.00 42.92 44.68 1m4p s ASP 123 CO 0.74 -0.91 1.78 0.25 0.21 0.00 0.00 175.17 177.24 1m4p h LEU 124 N 1.93 0.66 -1.34 1.23 5.85 -1.94 0.49 115.31 122.19 1m4p h LEU 124 Ca -0.34 0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.48 1m4p h LEU 124 Cb 1.26 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.22 1m4p h LEU 124 CO 0.55 0.30 0.46 -0.07 -0.34 0.00 0.00 178.44 179.33 1m4p h LEU 125 N 0.73 0.76 0.31 2.25 4.07 -1.96 -2.15 115.31 119.33 1m4p h LEU 125 Ca 0.48 -0.01 -0.02 0.00 0.08 0.00 0.00 57.88 58.41 1m4p h LEU 125 Cb 0.64 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 42.20 1m4p h LEU 125 CO -0.34 0.54 -0.15 1.23 -1.08 0.00 0.00 178.44 178.64 1m4p h GLY 126 N 0.89 -0.44 -0.87 0.83 0.00 -0.55 -1.87 103.07 101.06 1m4p h GLY 126 Ca 0.27 0.16 0.12 0.00 0.00 0.00 0.00 47.33 47.88 1m4p h GLY 126 CO -0.07 -0.16 -0.45 -2.00 0.00 0.00 0.00 176.54 173.86 1m4p h LEU 127 N -0.94 -1.65 -1.04 3.11 6.46 -0.57 1.57 115.31 122.26 1m4p h LEU 127 Ca -0.04 0.30 0.05 0.00 -0.12 0.00 0.00 57.88 58.07 1m4p h LEU 127 Cb 0.51 0.79 -0.06 0.00 -0.73 0.00 0.00 40.66 41.17 1m4p h LEU 127 CO 0.07 -0.28 0.64 0.40 -0.62 0.00 0.00 178.44 178.65 1m4p h ILE 128 N -0.05 1.13 -0.51 4.05 5.03 -1.46 -0.51 117.51 125.18 1m4p h ILE 128 Ca 0.26 -0.41 0.00 0.00 -0.12 0.00 0.00 64.86 64.59 1m4p h ILE 128 Cb 0.54 -0.18 -0.02 0.00 -3.03 0.00 0.00 36.82 34.13 1m4p h ILE 128 CO -0.90 0.22 0.33 -0.61 -0.68 0.00 0.00 178.15 176.50 1m4p h GLN 129 N 1.20 0.67 -0.44 2.37 4.15 0.27 0.67 115.11 124.00 1m4p h GLN 129 Ca 0.41 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.75 1m4p h GLN 129 Cb 0.09 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.61 1m4p h GLN 129 CO -0.15 0.46 0.15 0.28 -1.93 0.00 0.00 178.83 177.63 1m4p h VAL 130 N 0.68 1.18 -0.10 2.39 2.07 0.16 -1.64 116.25 121.00 1m4p h VAL 130 Ca 0.18 -0.60 -0.18 0.00 0.82 0.00 0.00 66.70 66.92 1m4p h VAL 130 Cb -0.06 0.69 0.01 0.00 -1.52 0.00 0.00 31.29 30.41 1m4p h VAL 130 CO -0.04 0.23 -0.64 -0.03 0.02 0.00 0.00 177.57 177.11 1m4p h MET 131 N 0.64 0.61 -0.03 1.57 1.85 -0.14 -2.03 114.93 117.40 1m4p h MET 131 Ca 0.15 -0.52 0.01 0.00 -0.61 0.00 0.00 59.70 58.73 1m4p h MET 131 Cb 0.18 0.12 -0.00 0.00 0.43 0.00 0.00 31.60 32.33 1m4p h MET 131 CO -0.01 1.14 0.03 0.82 -0.40 0.00 0.00 176.91 178.49 1m4p h ILE 132 N 0.25 0.67 0.02 1.77 2.04 0.74 1.28 117.51 124.29 1m4p h ILE 132 Ca -0.05 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.77 1m4p h ILE 132 Cb 1.29 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 38.35 1m4p h ILE 132 CO 0.13 0.00 -0.18 0.58 0.00 0.00 0.00 178.15 178.69 1m4p h VAL 133 N 0.00 1.69 -0.59 1.67 2.07 -1.18 -0.51 116.25 119.40 1m4p h VAL 133 Ca 0.01 -2.24 -0.07 0.00 0.82 0.00 0.00 66.70 65.22 1m4p h VAL 133 Cb 0.07 3.18 -0.02 0.00 -1.52 0.00 0.00 31.29 33.00 1m4p h VAL 133 CO -0.00 0.60 0.08 0.58 0.02 0.00 0.00 177.57 178.85 1m4p h VAL 134 N -0.78 1.26 -0.38 2.57 2.07 -0.58 -1.92 116.25 118.49 1m4p h VAL 134 Ca -0.03 -1.01 0.00 0.00 0.82 0.00 0.00 66.70 66.48 1m4p h VAL 134 Cb 1.07 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 1m4p h VAL 134 CO 0.03 0.37 0.00 0.49 0.02 0.00 0.00 177.57 178.48 1m4p n PHE 135 N -4.29 1.09 0.08 1.57 3.01 0.43 -3.39 117.46 115.96 1m4p n PHE 135 Ca 0.03 -0.40 0.02 0.00 1.01 0.00 0.00 57.45 58.11 1m4p n PHE 135 Cb 0.29 -0.26 -0.03 0.00 -0.01 0.00 0.00 39.48 39.47 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 0.61 0.09 0.13 1.37 0.00 -0.20 -4.77 105.19 102.43 1m4p n GLY 136 Ca 0.16 -0.12 -0.04 0.00 0.00 0.00 0.00 46.02 46.02 1m4p n GLY 136 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1m4p n ASP 137 N -1.45 0.97 -4.91 1.61 8.00 -0.91 -4.60 116.55 115.26 1m4p n ASP 137 Ca -0.00 0.16 -0.27 0.00 0.71 0.00 0.00 54.79 55.39 1m4p n ASP 137 Cb 0.10 -0.58 -0.02 0.00 -0.02 0.00 0.00 41.12 40.60 1m4p n ASP 137 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 1m4p s GLU 138 N -1.95 3.59 -0.34 -1.24 4.04 -1.22 -5.03 118.70 116.55 1m4p s GLU 138 Ca -0.14 -0.04 -0.29 0.00 0.04 0.00 0.00 54.97 54.55 1m4p s GLU 138 Cb 0.02 -2.60 0.00 0.00 0.02 0.00 0.00 34.13 31.57 1m4p s GLU 138 CO 0.20 0.13 1.37 -1.25 -1.84 0.00 0.00 175.26 173.87 1m4p s PRO 139 N -3.94 3.76 0.29 -4.83 0.04 -1.26 -4.57 135.00 124.49 1m4p s PRO 139 Ca 0.44 1.14 0.14 0.00 0.04 0.00 0.00 61.00 62.76 1m4p s PRO 139 Cb -0.10 -3.95 0.34 0.00 0.04 0.00 0.00 34.50 30.82 1m4p s PRO 139 CO 0.34 -1.32 1.57 -1.00 0.04 0.00 0.00 177.00 176.63 1m4p h PRO 140 N 9.98 0.00 0.00 0.56 0.13 -1.89 -3.41 132.00 137.38 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 1.10 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.11 1m4p h PRO 140 CO 1.05 0.56 -0.09 1.55 -0.23 0.00 0.00 178.00 180.85 1m4p n VAL 141 N -3.51 0.00 -1.70 1.56 3.14 -1.26 -3.08 118.33 113.48 1m4p n VAL 141 Ca -0.00 -0.93 -0.43 0.00 -2.96 0.00 0.00 64.34 60.02 1m4p n VAL 141 Cb 0.65 1.19 -0.03 0.00 -1.06 0.00 0.00 33.84 34.59 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 0.39 2.60 -2.46 1.45 1.16 -1.16 -4.28 117.46 115.16 1m4p n PHE 142 Ca -0.03 -0.01 -0.24 0.00 -1.87 0.00 0.00 57.45 55.30 1m4p n PHE 142 Cb 0.74 -2.68 0.10 0.00 -1.61 0.00 0.00 39.48 36.03 1m4p n PHE 142 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 1m4p s SER 143 N 1.98 4.39 0.25 5.98 0.15 -1.26 -4.02 113.70 121.16 1m4p s SER 143 Ca 0.80 -0.12 0.11 0.00 0.70 0.00 0.00 55.95 57.43 1m4p s SER 143 Cb -0.53 -0.33 -0.05 0.00 -1.71 0.00 0.00 66.02 63.40 1m4p s SER 143 CO 0.36 -1.83 -0.18 -0.13 1.20 0.00 0.00 173.24 172.66 1m4p s ARG 144 N -5.20 1.55 0.00 5.44 1.81 -1.26 -4.99 118.95 116.30 1m4p s ARG 144 Ca 0.65 -1.70 0.24 0.00 -1.72 0.00 0.00 55.73 53.20 1m4p s ARG 144 Cb -0.07 -1.55 1.43 0.00 -0.45 0.00 0.00 34.95 34.32 1m4p s ARG 144 CO 0.45 0.28 1.80 -0.35 -0.68 0.00 0.00 175.30 176.80