#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m4p n VAL 3 N 0.00 0.00 0.24 0.00 0.31 -1.26 -4.33 118.33 113.29 1m4p n VAL 3 Ca 0.00 -0.20 0.09 0.00 -0.01 0.00 0.00 64.34 64.22 1m4p n VAL 3 Cb 0.00 0.73 0.65 0.00 -0.91 0.00 0.00 33.84 34.31 1m4p n VAL 3 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 1m4p h SER 4 N 0.00 0.00 -1.84 4.52 0.87 -2.00 -2.17 113.55 112.93 1m4p h SER 4 Ca 0.00 0.00 0.53 0.00 -1.23 0.00 0.00 61.79 61.09 1m4p h SER 4 Cb 0.49 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 62.38 1m4p h SER 4 CO 0.00 0.00 1.34 -1.84 -0.53 0.00 0.00 176.83 175.80 1m4p n GLU 5 N -4.52 0.00 0.10 2.24 0.28 -1.26 0.17 120.64 117.65 1m4p n GLU 5 Ca -0.02 1.02 -0.10 0.00 -0.16 0.00 0.00 57.16 57.90 1m4p n GLU 5 Cb 0.13 -2.36 -0.07 0.00 1.43 0.00 0.00 31.44 30.57 1m4p n GLU 5 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 177.13 177.74 1m4p h SER 6 N 0.00 -0.27 0.32 -1.84 0.02 -1.73 -2.72 113.55 107.33 1m4p h SER 6 Ca 0.87 -0.24 -0.10 0.00 -0.84 0.00 0.00 61.79 61.49 1m4p h SER 6 Cb 3.55 0.07 -0.01 0.00 0.14 0.00 0.00 62.40 66.15 1m4p h SER 6 CO -0.01 0.22 -0.41 -0.61 -1.14 0.00 0.00 176.83 174.89 1m4p h GLN 7 N -0.92 0.12 -0.03 3.45 5.75 0.10 -2.99 115.11 120.59 1m4p h GLN 7 Ca -0.03 -0.06 0.03 0.00 -0.15 0.00 0.00 58.65 58.44 1m4p h GLN 7 Cb 0.49 -0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.01 1m4p h GLN 7 CO 0.05 0.51 -0.13 1.25 -2.65 0.00 0.00 178.83 177.86 1m4p h LEU 8 N 0.10 -0.40 -2.30 -2.39 5.85 0.18 0.28 115.31 116.64 1m4p h LEU 8 Ca 0.01 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.81 1m4p h LEU 8 Cb 0.77 0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.97 1m4p h LEU 8 CO 0.06 -0.19 0.07 0.50 -0.34 0.00 0.00 178.44 178.54 1m4p h LYS 9 N -0.21 0.00 0.00 1.25 3.11 -1.35 0.75 116.57 120.12 1m4p h LYS 9 Ca 0.06 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.90 1m4p h LYS 9 Cb 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.52 1m4p h LYS 9 CO -0.15 0.00 -0.22 1.63 -2.81 0.00 0.00 179.45 177.90 1m4p n LYS 10 N -3.99 0.17 0.03 1.90 5.02 0.34 -3.06 118.16 118.57 1m4p n LYS 10 Ca -0.01 0.10 0.12 0.00 -2.02 0.00 0.00 58.31 56.50 1m4p n LYS 10 Cb 0.17 -1.66 0.12 0.00 -0.02 0.00 0.00 35.03 33.63 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 0.23 0.00 1.97 2.81 0.25 -4.79 117.12 115.64 1m4p n MET 11 Ca 0.05 0.03 0.00 0.00 -1.81 0.00 0.00 57.70 55.97 1m4p n MET 11 Cb 0.40 -1.61 0.00 0.00 -0.71 0.00 0.00 33.22 31.30 1m4p n MET 11 CO 0.00 0.00 0.00 1.33 1.51 0.00 0.00 175.97 178.81 1m4p n VAL 12 N -1.91 0.00 -1.76 2.03 0.24 -0.76 -4.91 118.33 111.26 1m4p n VAL 12 Ca 0.03 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.19 1m4p n VAL 12 Cb 0.41 0.00 -0.04 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 -3.93 0.00 -1.34 2.88 -1.17 -4.63 113.62 105.43 1m4p n SER 13 Ca 0.00 0.28 0.00 0.00 -1.33 0.00 0.00 58.87 57.82 1m4p n SER 13 Cb 0.00 -3.52 0.00 0.00 -0.75 0.00 0.00 64.21 59.94 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 -2.25 0.00 -1.20 -1.46 5.02 -1.26 -5.07 118.16 111.95 1m4p n LYS 14 Ca -0.15 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.74 1m4p n LYS 14 Cb 0.52 -0.49 -0.02 0.00 -0.02 0.00 0.00 35.03 35.02 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 -2.44 -0.92 0.19 2.13 4.02 -1.26 -4.73 117.16 114.15 1m4p n TYR 15 Ca 0.00 0.75 0.18 0.00 -0.01 0.00 0.00 57.90 58.82 1m4p n TYR 15 Cb 0.27 -1.67 0.82 0.00 -0.02 0.00 0.00 39.34 38.74 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 0.67 0.00 -1.99 -0.72 3.64 -1.98 -2.85 116.57 113.35 1m4p h LYS 16 Ca -0.27 0.00 -0.49 0.00 -1.27 0.00 0.00 60.65 58.61 1m4p h LYS 16 Cb 1.27 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 32.69 1m4p h LYS 16 CO 0.47 0.00 -1.18 0.66 -2.27 0.00 0.00 179.45 177.13 1m4p n TYR 17 N -3.73 0.06 -0.23 1.91 4.01 -1.26 -4.95 117.16 112.96 1m4p n TYR 17 Ca 0.03 -3.76 0.03 0.00 -0.16 0.00 0.00 57.90 54.04 1m4p n TYR 17 Cb 0.39 -0.40 0.14 0.00 -0.31 0.00 0.00 39.34 39.16 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 3.20 0.17 0.40 -0.72 2.43 -1.83 1.24 114.38 119.27 1m4p h ARG 18 Ca 0.09 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.23 1m4p h ARG 18 Cb 0.95 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.47 1m4p h ARG 18 CO 0.49 0.12 -0.20 0.38 -1.51 0.00 0.00 179.97 179.24 1m4p h ASP 19 N 0.18 -0.48 -0.78 -3.80 2.03 -1.92 1.12 116.42 112.76 1m4p h ASP 19 Ca 0.37 0.02 0.07 0.00 -0.73 0.00 0.00 57.03 56.76 1m4p h ASP 19 Cb 0.61 0.13 -0.06 0.00 -0.83 0.00 0.00 39.33 39.17 1m4p h ASP 19 CO -0.53 -0.34 0.45 0.25 -1.03 0.00 0.00 179.24 178.05 1m4p h LEU 20 N -0.55 0.68 0.56 0.15 5.85 -1.55 0.82 115.31 121.26 1m4p h LEU 20 Ca -0.05 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 1m4p h LEU 20 Cb 0.43 -0.10 0.01 0.00 0.37 0.00 0.00 40.66 41.36 1m4p h LEU 20 CO 0.08 0.42 -0.27 0.74 -0.34 0.00 0.00 178.44 179.07 1m4p h THR 21 N 0.80 0.34 -0.76 1.05 2.02 0.20 -1.27 112.91 115.29 1m4p h THR 21 Ca 0.36 -0.32 0.10 0.00 0.77 0.00 0.00 66.41 67.32 1m4p h THR 21 Cb 0.25 0.44 -0.08 0.00 -1.74 0.00 0.00 68.15 67.03 1m4p h THR 21 CO -0.21 0.04 0.39 0.58 0.37 0.00 0.00 175.52 176.69 1m4p h VAL 22 N -0.98 0.84 0.00 3.16 2.07 0.16 0.41 116.25 121.91 1m4p h VAL 22 Ca -0.08 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 1m4p h VAL 22 Cb 0.64 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.55 1m4p h VAL 22 CO 0.13 0.12 -0.00 -0.09 0.02 0.00 0.00 177.57 177.74 1m4p h ARG 23 N 0.64 0.00 0.00 1.57 2.43 0.77 1.30 114.38 121.09 1m4p h ARG 23 Ca 0.38 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 59.38 1m4p h ARG 23 Cb 0.42 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.94 1m4p h ARG 23 CO -0.28 0.00 -0.82 0.93 -1.51 0.00 0.00 179.97 178.29 1m4p h GLU 24 N 0.00 0.00 0.08 0.20 5.08 0.99 -2.93 114.58 118.00 1m4p h GLU 24 Ca -0.00 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.09 1m4p h GLU 24 Cb 0.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1m4p h GLU 24 CO 0.00 0.82 -1.42 1.15 -1.00 0.00 0.00 179.01 178.57 1m4p h THR 25 N 0.00 0.96 -0.27 1.13 2.02 0.43 -2.78 112.91 114.41 1m4p h THR 25 Ca -0.01 -2.33 0.06 0.00 0.77 0.00 0.00 66.41 64.90 1m4p h THR 25 Cb 1.54 2.58 -0.07 0.00 -1.74 0.00 0.00 68.15 70.46 1m4p h THR 25 CO 0.11 0.64 -0.23 -0.37 0.37 0.00 0.00 175.52 176.04 1m4p h VAL 26 N -0.44 0.41 -0.24 3.16 -1.51 0.15 1.29 116.25 119.07 1m4p h VAL 26 Ca -0.32 0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 65.13 1m4p h VAL 26 Cb 1.66 0.41 -0.01 0.00 -2.13 0.00 0.00 31.29 31.22 1m4p h VAL 26 CO -0.01 0.00 0.07 -0.55 -1.23 0.00 0.00 177.57 175.85 1m4p h ASN 27 N -0.22 0.35 0.32 4.19 -1.07 -1.68 0.60 115.58 118.07 1m4p h ASN 27 Ca 0.14 -0.21 -0.00 0.00 0.07 0.00 0.00 56.30 56.30 1m4p h ASN 27 Cb 0.44 -0.09 -0.03 0.00 -2.07 0.00 0.00 38.32 36.58 1m4p h ASN 27 CO -0.39 0.47 -0.43 0.58 0.07 0.00 0.00 177.43 177.72 1m4p h VAL 28 N 0.21 0.00 -0.23 6.14 2.07 -0.98 1.49 116.25 124.95 1m4p h VAL 28 Ca 0.08 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.62 1m4p h VAL 28 Cb 0.25 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.01 1m4p h VAL 28 CO -0.00 0.00 0.15 0.16 0.02 0.00 0.00 177.57 177.90 1m4p h ILE 29 N -0.78 0.99 0.00 4.57 3.07 0.16 0.45 117.51 125.97 1m4p h ILE 29 Ca -0.04 -0.07 0.00 0.00 1.55 0.00 0.00 64.86 66.30 1m4p h ILE 29 Cb 0.71 0.78 0.00 0.00 -0.27 0.00 0.00 36.82 38.04 1m4p h ILE 29 CO -0.12 0.04 0.00 0.74 -1.05 0.00 0.00 178.15 177.76 1m4p h THR 30 N 0.20 0.00 0.09 0.16 2.02 0.17 1.50 112.91 117.05 1m4p h THR 30 Ca 0.09 -0.50 -0.32 0.00 0.77 0.00 0.00 66.41 66.45 1m4p h THR 30 Cb 0.14 1.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.96 1m4p h THR 30 CO -0.02 0.00 -1.75 0.25 0.37 0.00 0.00 175.52 174.37 1m4p h LEU 31 N 0.00 0.30 0.00 2.58 5.85 0.64 -3.43 115.31 121.25 1m4p h LEU 31 Ca 0.00 -0.82 -0.15 0.00 0.84 0.00 0.00 57.88 57.75 1m4p h LEU 31 Cb 0.66 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 1m4p h LEU 31 CO 0.00 1.74 -1.48 -1.22 -0.34 0.00 0.00 178.44 177.15 1m4p n TYR 32 N -3.79 0.06 -0.98 1.25 4.01 0.36 -4.98 117.16 113.09 1m4p n TYR 32 Ca -0.32 0.03 0.00 0.00 -0.16 0.00 0.00 57.90 57.45 1m4p n TYR 32 Cb 0.93 -0.68 0.00 0.00 -0.31 0.00 0.00 39.34 39.28 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 -4.40 -0.03 -0.01 -0.72 4.81 0.51 -4.79 118.16 113.53 1m4p n LYS 33 Ca -0.27 0.01 0.06 0.00 -0.87 0.00 0.00 58.31 57.24 1m4p n LYS 33 Cb 0.63 -2.76 -0.12 0.00 0.02 0.00 0.00 35.03 32.81 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 -0.02 1.56 -4.77 3.14 8.00 -1.26 -4.94 116.55 118.26 1m4p n ASP 34 Ca 0.00 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.11 1m4p n ASP 34 Cb 0.01 1.62 -0.06 0.00 -0.02 0.00 0.00 41.12 42.68 1m4p n ASP 34 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1m4p s LEU 35 N -4.12 4.52 -0.22 0.64 2.96 -1.26 -3.69 118.68 117.52 1m4p s LEU 35 Ca -0.06 1.47 0.01 0.00 -0.22 0.00 0.00 54.13 55.34 1m4p s LEU 35 Cb 0.09 -3.17 0.04 0.00 0.50 0.00 0.00 46.19 43.65 1m4p s LEU 35 CO 0.62 0.15 -0.15 -0.75 -1.32 0.00 0.00 176.35 174.91 1m4p s LYS 36 N -0.73 2.70 -0.10 1.98 2.20 0.47 -4.80 119.74 121.46 1m4p s LYS 36 Ca 0.35 -1.04 -0.30 0.00 -0.36 0.00 0.00 55.97 54.62 1m4p s LYS 36 Cb -0.21 -2.74 -0.03 0.00 -1.51 0.00 0.00 37.83 33.35 1m4p s LYS 36 CO 0.23 -0.36 1.25 -1.25 -0.36 0.00 0.00 175.35 174.85 1m4p s PRO 37 N 1.22 4.29 0.20 4.03 0.04 -1.26 -1.86 135.00 141.67 1m4p s PRO 37 Ca -0.01 1.69 0.10 0.00 0.04 0.00 0.00 61.00 62.83 1m4p s PRO 37 Cb -0.16 -3.65 -0.04 0.00 0.04 0.00 0.00 34.50 30.68 1m4p s PRO 37 CO -0.09 -0.57 -0.17 0.14 0.04 0.00 0.00 177.00 176.35 1m4p s VAL 38 N 2.81 2.74 -0.31 -0.36 -7.23 0.14 -4.98 120.40 113.21 1m4p s VAL 38 Ca 0.56 -1.90 -0.08 0.00 -1.81 0.00 0.00 61.98 58.74 1m4p s VAL 38 Cb -0.24 -2.35 0.00 0.00 0.56 0.00 0.00 36.38 34.36 1m4p s VAL 38 CO 0.19 -0.14 0.12 -0.22 -0.31 0.00 0.00 175.10 174.74 1m4p s LEU 39 N -2.83 4.01 0.13 1.32 1.98 -1.26 0.94 118.68 122.98 1m4p s LEU 39 Ca 0.23 -0.62 0.05 0.00 -2.89 0.00 0.00 54.13 50.90 1m4p s LEU 39 Cb -0.08 -1.95 -0.04 0.00 0.66 0.00 0.00 46.19 44.78 1m4p s LEU 39 CO 0.13 -0.20 0.07 -0.62 -1.89 0.00 0.00 176.35 173.84 1m4p s ASP 40 N 1.56 5.28 -0.26 3.68 -1.08 -0.22 -4.93 116.67 120.70 1m4p s ASP 40 Ca 0.04 -0.17 -0.02 0.00 -0.52 0.00 0.00 52.55 51.88 1m4p s ASP 40 Cb -0.17 -1.32 0.15 0.00 -1.46 0.00 0.00 42.92 40.12 1m4p s ASP 40 CO 0.05 0.11 0.43 -0.55 0.52 0.00 0.00 175.17 175.73 1m4p s SER 41 N -2.78 -0.16 0.19 -0.34 0.15 -1.26 -1.72 113.70 107.78 1m4p s SER 41 Ca 0.29 0.34 -0.04 0.00 0.70 0.00 0.00 55.95 57.24 1m4p s SER 41 Cb -0.11 1.38 -0.03 0.00 -1.71 0.00 0.00 66.02 65.55 1m4p s SER 41 CO 0.21 -0.29 0.20 -0.47 1.20 0.00 0.00 173.24 174.09 1m4p s TYR 42 N 2.62 0.85 0.20 3.44 5.04 -0.57 -4.83 117.35 124.11 1m4p s TYR 42 Ca 0.14 -1.14 -0.24 0.00 -2.44 0.00 0.00 57.07 53.39 1m4p s TYR 42 Cb -0.15 -0.33 -0.08 0.00 0.35 0.00 0.00 41.96 41.74 1m4p s TYR 42 CO -0.18 -0.70 0.79 0.14 -1.34 0.00 0.00 175.55 174.26 1m4p s VAL 43 N -4.09 4.39 0.17 3.14 -7.23 -1.26 0.15 120.40 115.68 1m4p s VAL 43 Ca 0.30 1.62 0.00 0.00 -1.81 0.00 0.00 61.98 62.09 1m4p s VAL 43 Cb 0.05 -4.05 0.00 0.00 0.56 0.00 0.00 36.38 32.94 1m4p s VAL 43 CO 0.08 0.39 0.00 0.49 -0.31 0.00 0.00 175.10 175.75 1m4p n PHE 44 N 1.22 -1.95 -1.53 2.82 3.72 -0.70 -4.64 117.46 116.40 1m4p n PHE 44 Ca -0.04 0.40 -0.33 0.00 -0.05 0.00 0.00 57.45 57.43 1m4p n PHE 44 Cb 0.49 1.04 -0.08 0.00 -0.94 0.00 0.00 39.48 39.99 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 1.39 -1.98 4.37 4.13 -1.25 -0.88 115.26 118.06 1m4p n ASN 45 Ca 0.00 -0.47 -0.11 0.00 1.68 0.00 0.00 54.58 55.68 1m4p n ASN 45 Cb 0.00 -1.33 -0.02 0.00 -1.54 0.00 0.00 39.78 36.88 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 14.07 -3.21 -1.11 6.41 4.64 -1.26 -1.10 116.55 134.99 1m4p n ASP 46 Ca 0.49 0.25 0.00 0.00 -1.38 0.00 0.00 54.79 54.15 1m4p n ASP 46 Cb 0.36 -2.88 0.00 0.00 -1.04 0.00 0.00 41.12 37.55 1m4p n ASP 46 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1m4p n GLY 47 N -0.53 0.69 2.94 0.27 0.00 -0.06 -5.08 105.19 103.42 1m4p n GLY 47 Ca -0.12 -0.38 -0.27 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.83 2.19 0.21 1.61 0.15 -0.26 -4.73 113.70 110.05 1m4p s SER 48 Ca 0.00 -0.33 -0.27 0.00 0.70 0.00 0.00 55.95 56.05 1m4p s SER 48 Cb 0.00 -0.89 -0.17 0.00 -1.71 0.00 0.00 66.02 63.26 1m4p s SER 48 CO 0.00 -0.09 0.48 -0.24 1.20 0.00 0.00 173.24 174.59 1m4p n SER 49 N 4.76 -1.35 -3.77 5.45 2.88 -1.26 -1.72 113.62 118.61 1m4p n SER 49 Ca -0.15 1.09 -0.13 0.00 -1.33 0.00 0.00 58.87 58.36 1m4p n SER 49 Cb 0.50 -0.93 -0.12 0.00 -0.75 0.00 0.00 64.21 62.90 1m4p n SER 49 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1m4p s ARG 50 N -0.99 0.23 -0.01 -1.46 3.52 0.40 -4.80 118.95 115.84 1m4p s ARG 50 Ca 0.63 0.39 -0.08 0.00 -0.13 0.00 0.00 55.73 56.54 1m4p s ARG 50 Cb -0.90 0.02 -0.05 0.00 -1.56 0.00 0.00 34.95 32.47 1m4p s ARG 50 CO 0.56 -0.08 0.27 -2.00 -0.81 0.00 0.00 175.30 173.23 1m4p s GLU 51 N 0.58 3.61 -0.25 5.12 2.12 -1.26 -1.51 118.70 127.10 1m4p s GLU 51 Ca -0.04 -0.01 -0.28 0.00 0.36 0.00 0.00 54.97 55.00 1m4p s GLU 51 Cb -0.05 -3.11 0.16 0.00 0.26 0.00 0.00 34.13 31.39 1m4p s GLU 51 CO -0.03 0.67 1.22 -0.48 -0.54 0.00 0.00 175.26 176.10 1m4p s LEU 52 N -1.57 -0.20 -0.04 2.70 -0.00 -0.70 -4.58 118.68 114.30 1m4p s LEU 52 Ca 0.25 0.27 -0.18 0.00 -0.00 0.00 0.00 54.13 54.47 1m4p s LEU 52 Cb -0.13 1.43 -0.05 0.00 -0.00 0.00 0.00 46.19 47.43 1m4p s LEU 52 CO 0.14 -0.14 0.51 -0.32 -0.00 0.00 0.00 176.35 176.54 1m4p s MET 53 N -0.67 4.22 0.24 1.48 1.75 -0.67 -1.06 119.30 124.60 1m4p s MET 53 Ca 0.05 0.56 0.11 0.00 -1.25 0.00 0.00 55.69 55.15 1m4p s MET 53 Cb -0.02 -3.34 -0.05 0.00 2.84 0.00 0.00 34.83 34.27 1m4p s MET 53 CO -0.06 0.39 -0.13 1.21 -0.65 0.00 0.00 175.02 175.78 1m4p s ASN 54 N -0.19 3.98 -0.05 1.11 2.47 0.27 0.05 114.94 122.57 1m4p s ASN 54 Ca 0.27 -0.80 0.04 0.00 0.42 0.00 0.00 52.86 52.79 1m4p s ASN 54 Cb -0.17 -0.54 -0.02 0.00 -1.45 0.00 0.00 41.25 39.07 1m4p s ASN 54 CO 0.14 0.05 -0.15 -0.76 -3.72 0.00 0.00 177.10 172.66 1m4p s LEU 55 N -3.29 2.67 0.06 3.21 2.01 0.77 0.27 118.68 124.38 1m4p s LEU 55 Ca 0.28 -0.23 -0.09 0.00 0.01 0.00 0.00 54.13 54.10 1m4p s LEU 55 Cb -0.07 -1.54 0.00 0.00 0.01 0.00 0.00 46.19 44.60 1m4p s LEU 55 CO 0.16 0.33 0.20 0.28 1.01 0.00 0.00 176.35 178.33 1m4p s THR 56 N -0.66 0.12 -4.20 5.49 -1.32 -0.77 -2.28 115.64 112.02 1m4p s THR 56 Ca 0.10 -1.01 0.00 0.00 -1.21 0.00 0.00 61.69 59.56 1m4p s THR 56 Cb -0.11 -1.10 0.00 0.00 -1.51 0.00 0.00 72.50 69.78 1m4p s THR 56 CO 0.01 -0.56 0.00 0.61 -2.21 0.00 0.00 174.62 172.47 1m4p n GLY 57 N 0.34 0.89 3.11 6.08 0.00 -1.23 0.18 105.19 114.57 1m4p n GLY 57 Ca -0.17 -1.96 -0.26 0.00 0.00 0.00 0.00 46.02 43.63 1m4p n GLY 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1m4p s THR 58 N -2.06 1.41 0.07 2.61 -4.23 -1.24 -1.96 115.64 110.24 1m4p s THR 58 Ca 0.00 -0.68 0.03 0.00 -1.18 0.00 0.00 61.69 59.86 1m4p s THR 58 Cb 0.00 -1.22 -0.04 0.00 1.34 0.00 0.00 72.50 72.58 1m4p s THR 58 CO 0.00 0.41 0.05 0.27 -0.54 0.00 0.00 174.62 174.81 1m4p s ILE 59 N 0.21 4.39 -0.32 2.99 -4.36 -0.33 -4.43 121.20 119.33 1m4p s ILE 59 Ca -0.08 -0.79 -0.29 0.00 -0.26 0.00 0.00 60.65 59.23 1m4p s ILE 59 Cb -0.13 -3.09 0.00 0.00 1.25 0.00 0.00 42.46 40.49 1m4p s ILE 59 CO 0.03 0.15 1.36 -2.16 0.24 0.00 0.00 174.94 174.57 1m4p s PRO 60 N -2.28 3.81 -0.34 0.37 0.04 -1.26 -1.83 135.00 133.51 1m4p s PRO 60 Ca 0.27 1.20 -0.06 0.00 0.04 0.00 0.00 61.00 62.45 1m4p s PRO 60 Cb -0.12 -3.94 0.04 0.00 0.04 0.00 0.00 34.50 30.53 1m4p s PRO 60 CO 0.20 -1.27 0.10 0.08 0.04 0.00 0.00 177.00 176.16 1m4p s VAL 61 N 4.76 3.75 0.53 -0.36 1.01 -0.25 -4.93 120.40 124.90 1m4p s VAL 61 Ca 0.59 -1.16 -0.18 0.00 0.00 0.00 0.00 61.98 61.23 1m4p s VAL 61 Cb -0.17 -3.13 -0.07 0.00 0.00 0.00 0.00 36.38 33.01 1m4p s VAL 61 CO 0.26 -0.19 1.04 -2.16 0.00 0.00 0.00 175.10 174.06 1m4p s PRO 62 N 1.39 3.63 0.00 2.72 0.04 -1.26 -0.81 135.00 140.71 1m4p s PRO 62 Ca -0.02 1.28 0.00 0.00 0.04 0.00 0.00 61.00 62.30 1m4p s PRO 62 Cb -0.20 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.27 1m4p s PRO 62 CO 0.03 -0.56 0.00 0.98 0.04 0.00 0.00 177.00 177.48 1m4p n TYR 63 N -1.40 0.00 0.30 0.56 9.36 0.26 -4.60 117.16 121.64 1m4p n TYR 63 Ca 0.09 0.00 0.18 0.00 3.32 0.00 0.00 57.90 61.49 1m4p n TYR 63 Cb 0.53 0.00 0.95 0.00 -0.63 0.00 0.00 39.34 40.19 1m4p n TYR 63 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1m4p h ARG 64 N 0.00 0.00 0.00 2.98 2.47 -1.93 -3.37 114.38 114.53 1m4p h ARG 64 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1m4p h ARG 64 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 1m4p h ARG 64 CO 0.00 0.03 0.00 0.41 0.56 0.00 0.00 179.97 180.97 1m4p n GLY 65 N -0.77 0.00 3.64 0.04 0.00 -1.26 -5.15 105.19 101.69 1m4p n GLY 65 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 -0.66 -0.40 1.61 0.01 -1.26 -5.13 114.94 109.12 1m4p s ASN 66 Ca 0.00 1.16 -0.05 0.00 -0.71 0.00 0.00 52.86 53.26 1m4p s ASN 66 Cb 0.00 1.22 0.09 0.00 0.41 0.00 0.00 41.25 42.97 1m4p s ASN 66 CO 0.00 -0.19 0.20 -0.89 -1.51 0.00 0.00 177.10 174.70 1m4p s THR 67 N 0.81 3.58 0.00 1.60 2.01 -1.26 0.93 115.64 123.31 1m4p s THR 67 Ca -0.03 -1.74 0.00 0.00 0.31 0.00 0.00 61.69 60.23 1m4p s THR 67 Cb -0.05 -3.31 0.00 0.00 0.01 0.00 0.00 72.50 69.16 1m4p s THR 67 CO -0.09 -0.55 0.00 -1.22 -0.69 0.00 0.00 174.62 172.07 1m4p n TYR 68 N 4.72 -1.89 -3.87 4.92 4.02 0.01 -4.72 117.16 120.35 1m4p n TYR 68 Ca -0.07 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.56 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 2.35 0.09 7.72 0.01 -1.26 -1.09 114.94 121.76 1m4p s ASN 69 Ca 0.00 -0.42 0.05 0.00 -0.71 0.00 0.00 52.86 51.78 1m4p s ASN 69 Cb 0.00 -0.78 -0.04 0.00 0.41 0.00 0.00 41.25 40.84 1m4p s ASN 69 CO 0.00 -0.17 -0.03 -0.51 -1.51 0.00 0.00 177.10 174.89 1m4p s ILE 70 N 1.74 3.84 0.49 0.60 1.10 -0.76 -4.87 121.20 123.34 1m4p s ILE 70 Ca 0.03 -1.05 -0.20 0.00 -0.51 0.00 0.00 60.65 58.92 1m4p s ILE 70 Cb -0.14 -2.82 -0.08 0.00 0.15 0.00 0.00 42.46 39.57 1m4p s ILE 70 CO -0.08 0.13 1.04 -2.16 -2.11 0.00 0.00 174.94 171.76 1m4p s PRO 71 N -2.25 3.77 -0.04 3.50 0.04 -1.26 -1.19 135.00 137.57 1m4p s PRO 71 Ca 0.24 1.34 -0.04 0.00 0.04 0.00 0.00 61.00 62.59 1m4p s PRO 71 Cb -0.12 -2.09 0.01 0.00 0.04 0.00 0.00 34.50 32.35 1m4p s PRO 71 CO 0.17 -0.45 0.11 0.42 0.04 0.00 0.00 177.00 177.29 1m4p s ILE 72 N -2.03 -0.01 -0.03 0.56 -1.09 -0.83 -4.19 121.20 113.59 1m4p s ILE 72 Ca 0.67 0.02 -0.01 0.00 -2.23 0.00 0.00 60.65 59.10 1m4p s ILE 72 Cb -0.16 -0.17 0.03 0.00 -1.58 0.00 0.00 42.46 40.58 1m4p s ILE 72 CO 0.21 0.01 0.05 0.00 -1.23 0.00 0.00 174.94 173.98 1m4p s LEU 74 N 1.56 1.02 -1.06 0.00 2.01 -0.97 -2.48 118.68 118.76 1m4p s LEU 74 Ca -0.03 -0.11 -0.14 0.00 0.01 0.00 0.00 54.13 53.86 1m4p s LEU 74 Cb -0.12 -0.45 0.19 0.00 0.01 0.00 0.00 46.19 45.82 1m4p s LEU 74 CO -0.03 -0.12 1.19 0.26 1.01 0.00 0.00 176.35 178.66 1m4p s TRP 75 N 1.37 3.59 -0.55 0.29 0.52 -1.07 -0.17 118.94 122.93 1m4p s TRP 75 Ca -0.04 -2.03 -0.27 0.00 0.02 0.00 0.00 56.10 53.78 1m4p s TRP 75 Cb -0.13 -4.14 -0.02 0.00 -1.15 0.00 0.00 33.47 28.03 1m4p s TRP 75 CO -0.03 -1.27 1.78 -1.17 0.02 0.00 0.00 176.95 176.28 1m4p s LEU 76 N 1.11 3.35 0.00 2.99 2.96 0.11 -4.65 118.68 124.54 1m4p s LEU 76 Ca 0.34 0.53 -0.13 0.00 -0.22 0.00 0.00 54.13 54.65 1m4p s LEU 76 Cb -0.06 -2.81 0.20 0.00 0.50 0.00 0.00 46.19 44.02 1m4p s LEU 76 CO -0.05 -2.14 0.65 0.18 -1.32 0.00 0.00 176.35 173.66 1m4p n LEU 77 N 11.78 0.00 0.11 -0.68 4.77 -1.26 -1.67 117.00 130.05 1m4p n LEU 77 Ca 0.20 -0.69 -0.06 0.00 -0.03 0.00 0.00 56.01 55.43 1m4p n LEU 77 Cb 0.51 -0.62 -0.03 0.00 -2.33 0.00 0.00 43.42 40.95 1m4p n LEU 77 CO 0.70 -1.84 0.15 0.44 -1.33 0.00 0.00 177.39 175.51 1m4p h ASP 78 N -2.26 -0.32 0.00 -1.43 5.19 -1.93 -3.43 116.42 112.24 1m4p h ASP 78 Ca -0.25 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.17 1m4p h ASP 78 Cb 0.79 0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.38 1m4p h ASP 78 CO 0.16 0.13 0.00 1.07 -3.12 0.00 0.00 179.24 177.49 1m4p n THR 79 N -5.03 0.00 -3.63 0.35 5.66 -1.26 -4.42 114.28 105.95 1m4p n THR 79 Ca -0.05 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.83 1m4p n THR 79 Cb 0.15 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 68.86 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 0.00 -0.73 -0.10 1.09 2.02 -1.26 -4.48 117.35 113.89 1m4p s TYR 80 Ca 0.00 1.75 0.25 0.00 -0.37 0.00 0.00 57.07 58.70 1m4p s TYR 80 Cb 0.00 0.32 0.75 0.00 -0.40 0.00 0.00 41.96 42.63 1m4p s TYR 80 CO 0.00 -0.35 1.75 -1.00 -1.57 0.00 0.00 175.55 174.38 1m4p h PRO 81 N 5.00 0.00 0.00 -1.71 0.13 -2.01 -3.42 132.00 129.99 1m4p h PRO 81 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 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 0.07 0.12 0.00 0.66 -0.23 0.00 0.00 178.00 178.63 1m4p n TYR 82 N -3.19 -0.65 -4.23 1.56 4.01 -1.26 -5.15 117.16 108.25 1m4p n TYR 82 Ca 0.02 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.63 1m4p n TYR 82 Cb 0.47 0.13 -0.10 0.00 -0.31 0.00 0.00 39.34 39.53 1m4p n TYR 82 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 1m4p s ASN 83 N -1.29 0.67 -0.33 7.72 -0.87 -1.26 -4.92 114.94 114.66 1m4p s ASN 83 Ca 0.00 -1.31 -0.29 0.00 -1.57 0.00 0.00 52.86 49.69 1m4p s ASN 83 Cb 0.00 0.25 0.00 0.00 -0.02 0.00 0.00 41.25 41.48 1m4p s ASN 83 CO 0.00 -0.74 1.36 -2.16 -2.57 0.00 0.00 177.10 173.00 1m4p s PRO 84 N -4.06 3.79 0.02 -0.60 0.04 -1.26 -4.80 135.00 128.13 1m4p s PRO 84 Ca 0.33 1.17 -0.19 0.00 0.04 0.00 0.00 61.00 62.34 1m4p s PRO 84 Cb 0.07 -3.94 -0.22 0.00 0.04 0.00 0.00 34.50 30.45 1m4p s PRO 84 CO 0.09 -1.29 1.15 -1.00 0.04 0.00 0.00 177.00 175.99 1m4p h PRO 85 N 9.88 0.46 -5.94 0.56 0.13 -1.91 -3.42 132.00 131.77 1m4p h PRO 85 Ca -0.27 -0.44 -0.52 0.00 -0.87 0.00 0.00 66.00 63.89 1m4p h PRO 85 Cb 1.10 0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 1m4p h PRO 85 CO 1.05 1.09 1.45 0.42 -0.23 0.00 0.00 178.00 181.78 1m4p s ILE 86 N -3.38 3.21 -0.09 -3.56 1.01 -1.26 -4.91 121.20 112.22 1m4p s ILE 86 Ca -0.13 0.17 -0.03 0.00 0.00 0.00 0.00 60.65 60.67 1m4p s ILE 86 Cb 0.04 -3.41 0.04 0.00 0.01 0.00 0.00 42.46 39.14 1m4p s ILE 86 CO 0.83 -0.35 0.05 0.00 0.00 0.00 0.00 174.94 175.47 1m4p s PHE 88 N 2.09 -0.07 0.16 0.00 -0.12 -1.03 -3.19 117.98 115.80 1m4p s PHE 88 Ca 0.04 -0.46 0.05 0.00 -0.05 0.00 0.00 56.93 56.50 1m4p s PHE 88 Cb -0.14 0.75 -0.04 0.00 -0.63 0.00 0.00 43.02 42.97 1m4p s PHE 88 CO -0.05 -1.36 0.14 0.54 -0.05 0.00 0.00 175.22 174.44 1m4p s VAL 89 N -3.34 4.55 -0.64 -2.49 0.11 0.12 -1.36 120.40 117.35 1m4p s VAL 89 Ca 0.13 -1.03 0.03 0.00 -2.93 0.00 0.00 61.98 58.18 1m4p s VAL 89 Cb -0.06 -3.31 0.16 0.00 -1.53 0.00 0.00 36.38 31.64 1m4p s VAL 89 CO 0.09 -0.09 0.41 -0.54 -3.33 0.00 0.00 175.10 171.64 1m4p s LYS 90 N -3.05 2.33 1.08 1.54 -0.14 -1.26 -4.68 119.74 115.55 1m4p s LYS 90 Ca 0.31 -2.97 -0.17 0.00 -1.36 0.00 0.00 55.97 51.77 1m4p s LYS 90 Cb -0.10 -3.45 0.24 0.00 -1.68 0.00 0.00 37.83 32.84 1m4p s LYS 90 CO 0.24 -1.20 1.22 -1.25 -0.76 0.00 0.00 175.35 173.59 1m4p s PRO 91 N -0.84 -0.25 0.00 -1.68 0.04 -1.26 -4.61 135.00 126.40 1m4p s PRO 91 Ca 0.21 -0.23 0.00 0.00 0.04 0.00 0.00 61.00 61.02 1m4p s PRO 91 Cb -0.15 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.66 1m4p s PRO 91 CO -0.08 -3.03 0.00 0.25 0.04 0.00 0.00 177.00 174.17 1m4p n THR 92 N -4.24 0.00 -0.07 1.26 -2.24 -1.26 -5.04 114.28 102.68 1m4p n THR 92 Ca 0.14 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.75 1m4p n THR 92 Cb 0.59 -1.13 -0.13 0.00 -2.10 0.00 0.00 70.33 67.56 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 -1.15 1.62 0.04 3.42 7.64 -1.26 -4.08 113.62 119.84 1m4p n SER 93 Ca 0.00 0.05 0.11 0.00 1.01 0.00 0.00 58.87 60.04 1m4p n SER 93 Cb 0.00 -0.31 0.46 0.00 -1.01 0.00 0.00 64.21 63.35 1m4p n SER 93 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1m4p n SER 94 N -3.23 0.22 -2.86 6.43 7.64 -1.26 -4.79 113.62 115.76 1m4p n SER 94 Ca -0.37 0.54 -0.11 0.00 1.01 0.00 0.00 58.87 59.94 1m4p n SER 94 Cb 1.04 -0.59 0.09 0.00 -1.01 0.00 0.00 64.21 63.74 1m4p n SER 94 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1m4p n MET 95 N -1.72 -1.62 -3.30 1.43 2.00 -1.26 -4.54 117.12 108.10 1m4p n MET 95 Ca 0.05 -0.65 -0.08 0.00 0.00 0.00 0.00 57.70 57.02 1m4p n MET 95 Cb 0.28 -0.58 -0.06 0.00 0.00 0.00 0.00 33.22 32.86 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 -1.77 -0.66 0.39 2.03 2.01 -1.20 -4.95 115.64 111.50 1m4p s THR 96 Ca 0.26 -0.19 -0.25 0.00 0.31 0.00 0.00 61.69 61.82 1m4p s THR 96 Cb -0.02 -0.94 -0.09 0.00 0.01 0.00 0.00 72.50 71.47 1m4p s THR 96 CO 0.20 -0.20 1.12 -0.51 -0.69 0.00 0.00 174.62 174.53 1m4p s ILE 97 N 2.58 3.38 -0.33 1.82 2.07 -1.26 -3.17 121.20 126.28 1m4p s ILE 97 Ca 0.11 1.14 0.04 0.00 -1.41 0.00 0.00 60.65 60.53 1m4p s ILE 97 Cb -0.13 -3.63 0.10 0.00 0.13 0.00 0.00 42.46 38.92 1m4p s ILE 97 CO -0.25 0.09 0.04 -0.75 -1.91 0.00 0.00 174.94 172.16 1m4p s LYS 98 N -2.29 1.56 0.32 3.50 2.36 -1.25 -4.99 119.74 118.96 1m4p s LYS 98 Ca 0.56 -1.83 -0.29 0.00 -2.55 0.00 0.00 55.97 51.86 1m4p s LYS 98 Cb -0.28 -3.19 -0.10 0.00 -1.05 0.00 0.00 37.83 33.21 1m4p s LYS 98 CO 0.35 -0.91 1.34 0.95 1.55 0.00 0.00 175.35 178.63 1m4p s THR 99 N 0.92 2.65 0.00 3.43 -4.23 -1.26 -4.64 115.64 112.51 1m4p s THR 99 Ca 0.09 0.64 0.00 0.00 -1.18 0.00 0.00 61.69 61.24 1m4p s THR 99 Cb -0.19 -3.41 0.00 0.00 1.34 0.00 0.00 72.50 70.24 1m4p s THR 99 CO -0.08 0.14 0.00 0.61 -0.54 0.00 0.00 174.62 174.76 1m4p n GLY 100 N 0.96 2.02 2.43 3.99 0.00 -0.44 -4.97 105.19 109.19 1m4p n GLY 100 Ca 0.01 -0.28 -0.25 0.00 0.00 0.00 0.00 46.02 45.49 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 2.37 0.11 1.61 2.85 -1.26 -3.98 118.16 119.85 1m4p n LYS 101 Ca 0.00 -2.18 0.00 0.00 -1.05 0.00 0.00 58.31 55.08 1m4p n LYS 101 Cb 0.00 -2.13 0.00 0.00 -0.65 0.00 0.00 35.03 32.25 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 1.09 -3.34 -4.22 5.58 8.25 -1.26 -4.95 115.22 116.37 1m4p n HIS 102 Ca 0.48 0.78 -0.29 0.00 -0.26 0.00 0.00 57.72 58.43 1m4p n HIS 102 Cb 0.60 2.15 -0.09 0.00 1.12 0.00 0.00 29.99 33.76 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 3.45 -0.20 1.59 1.01 -1.26 -1.70 120.40 121.29 1m4p s VAL 103 Ca 0.00 -1.33 -0.16 0.00 0.00 0.00 0.00 61.98 60.50 1m4p s VAL 103 Cb 0.00 -2.65 -0.10 0.00 0.00 0.00 0.00 36.38 33.63 1m4p s VAL 103 CO 0.00 0.05 -0.16 -0.67 0.00 0.00 0.00 175.10 174.32 1m4p n ASP 104 N 0.47 1.89 0.00 3.32 2.03 -1.25 -1.33 116.55 121.68 1m4p n ASP 104 Ca -0.12 0.43 0.00 0.00 0.52 0.00 0.00 54.79 55.62 1m4p n ASP 104 Cb 0.53 -0.85 0.00 0.00 -0.72 0.00 0.00 41.12 40.08 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 -3.92 0.00 0.86 -1.67 0.00 -1.26 -4.43 120.51 110.08 1m4p n ALA 105 Ca -0.28 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.26 1m4p n ALA 105 Cb 0.59 0.00 0.47 0.00 0.00 0.00 0.00 19.45 20.51 1m4p n ALA 105 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1m4p n ASN 106 N 0.00 0.00 0.00 0.00 5.15 -1.26 -4.83 115.26 114.32 1m4p n ASN 106 Ca 0.00 0.10 0.00 0.00 -0.60 0.00 0.00 54.58 54.08 1m4p n ASN 106 Cb 0.00 -0.32 0.00 0.00 -0.53 0.00 0.00 39.78 38.93 1m4p n ASN 106 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1m4p n GLY 107 N 0.35 0.55 3.46 8.20 0.00 -1.26 -4.85 105.19 111.63 1m4p n GLY 107 Ca 0.08 -0.83 -0.36 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.85 3.67 0.16 1.61 -2.85 -1.26 0.12 119.74 118.33 1m4p s LYS 108 Ca 0.00 -0.48 -0.33 0.00 -1.00 0.00 0.00 55.97 54.16 1m4p s LYS 108 Cb 0.00 -3.25 -0.13 0.00 -2.06 0.00 0.00 37.83 32.39 1m4p s LYS 108 CO 0.00 -0.10 1.66 -0.89 0.10 0.00 0.00 175.35 176.12 1m4p n ILE 109 N 4.65 0.06 -2.51 3.79 5.41 -1.19 -3.92 119.36 125.64 1m4p n ILE 109 Ca -0.16 -0.01 -0.18 0.00 1.00 0.00 0.00 62.75 63.40 1m4p n ILE 109 Cb 0.52 -1.74 0.02 0.00 -0.71 0.00 0.00 39.64 37.73 1m4p n ILE 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1m4p n TYR 110 N 3.95 2.34 -4.41 1.39 9.36 -0.69 -4.95 117.16 124.15 1m4p n TYR 110 Ca 0.17 -2.76 -0.21 0.00 3.32 0.00 0.00 57.90 58.42 1m4p n TYR 110 Cb 0.31 -0.23 -0.10 0.00 -0.63 0.00 0.00 39.34 38.69 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 -3.45 2.57 -0.54 2.98 2.01 -1.26 -4.84 118.68 116.15 1m4p s LEU 111 Ca 0.39 -1.03 -0.06 0.00 0.01 0.00 0.00 54.13 53.45 1m4p s LEU 111 Cb 0.41 -0.89 -0.14 0.00 0.01 0.00 0.00 46.19 45.58 1m4p s LEU 111 CO -0.06 -0.07 2.69 -0.81 1.01 0.00 0.00 176.35 179.11 1m4p n PRO 112 N -0.50 2.07 -0.12 1.29 -0.04 -1.26 -3.97 135.00 132.47 1m4p n PRO 112 Ca -0.06 -1.20 -0.20 0.00 -0.04 0.00 0.00 63.50 62.00 1m4p n PRO 112 Cb 0.60 -2.20 -0.11 0.00 -0.04 0.00 0.00 33.50 31.76 1m4p n PRO 112 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1m4p n TYR 113 N 3.20 0.00 0.09 0.54 4.01 -1.26 -4.11 117.16 119.63 1m4p n TYR 113 Ca 0.44 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.99 1m4p n TYR 113 Cb 0.46 -0.93 -0.11 0.00 -0.31 0.00 0.00 39.34 38.45 1m4p n TYR 113 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 1m4p h LEU 114 N -0.23 0.76 -4.26 7.72 5.85 -1.97 -3.25 115.31 119.92 1m4p h LEU 114 Ca -0.57 -0.69 -0.59 0.00 0.84 0.00 0.00 57.88 56.87 1m4p h LEU 114 Cb 1.78 -0.24 -0.23 0.00 0.37 0.00 0.00 40.66 42.34 1m4p h LEU 114 CO -0.16 1.50 0.72 1.41 -0.34 0.00 0.00 178.44 181.57 1m4p n HIS 115 N -3.75 2.46 0.00 1.25 8.25 -1.26 -4.34 115.22 117.82 1m4p n HIS 115 Ca -0.12 -2.39 0.00 0.00 -0.26 0.00 0.00 57.72 54.95 1m4p n HIS 115 Cb 0.96 -1.27 0.00 0.00 1.12 0.00 0.00 29.99 30.80 1m4p n HIS 115 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1m4p n GLU 116 N -0.17 0.00 0.00 -0.41 2.13 -1.23 -4.96 120.64 116.01 1m4p n GLU 116 Ca 0.51 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.33 1m4p n GLU 116 Cb 0.51 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.22 1m4p n GLU 116 CO 0.00 0.00 0.00 1.87 -0.41 0.00 0.00 177.13 178.59 1m4p n TRP 117 N -1.57 0.00 -4.28 4.31 -0.00 -1.26 -4.84 117.44 109.81 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 -0.32 -1.27 -0.22 5.87 4.81 -1.26 -4.79 118.16 120.98 1m4p n LYS 118 Ca 0.00 0.14 -0.01 0.00 -0.87 0.00 0.00 58.31 57.56 1m4p n LYS 118 Cb 0.00 -3.77 0.10 0.00 0.02 0.00 0.00 35.03 31.38 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 -1.76 0.58 0.02 5.64 2.76 -1.96 -3.46 115.15 116.97 1m4p h HIS 119 Ca -0.65 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 57.54 1m4p h HIS 119 Cb 1.40 -0.17 0.00 0.00 1.55 0.00 0.00 27.41 30.19 1m4p h HIS 119 CO 0.52 0.24 -0.01 -1.00 -1.30 0.00 0.00 177.93 176.39 1m4p h PRO 120 N 0.58 -0.02 0.00 5.26 0.13 -1.96 -3.50 132.00 132.49 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 0.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.38 1m4p h PRO 120 CO -0.22 0.69 0.00 0.94 -0.23 0.00 0.00 178.00 179.18 1m4p n GLN 121 N -4.75 0.00 -0.78 0.86 -0.06 -1.26 -4.80 117.38 106.59 1m4p n GLN 121 Ca -0.09 0.00 -0.33 0.00 -2.00 0.00 0.00 57.00 54.58 1m4p n GLN 121 Cb 0.35 0.00 0.12 0.00 -4.06 0.00 0.00 30.24 26.65 1m4p n GLN 121 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 1m4p n SER 122 N 0.56 -2.63 -4.39 1.69 2.88 -1.26 -5.02 113.62 105.45 1m4p n SER 122 Ca 0.00 -0.10 -0.19 0.00 -1.33 0.00 0.00 58.87 57.24 1m4p n SER 122 Cb 0.00 -0.77 -0.10 0.00 -0.75 0.00 0.00 64.21 62.59 1m4p n SER 122 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1m4p s ASP 123 N -1.53 1.85 0.33 -3.46 1.11 -1.26 -4.99 116.67 108.72 1m4p s ASP 123 Ca 0.47 -1.37 0.08 0.00 0.18 0.00 0.00 52.55 51.91 1m4p s ASP 123 Cb -0.03 0.02 0.95 0.00 1.07 0.00 0.00 42.92 44.94 1m4p s ASP 123 CO 0.63 -0.65 1.58 -0.07 1.18 0.00 0.00 175.17 177.83 1m4p h LEU 124 N 2.25 -0.18 0.20 1.23 4.07 -1.96 0.47 115.31 121.39 1m4p h LEU 124 Ca -0.40 0.27 0.00 0.00 0.08 0.00 0.00 57.88 57.84 1m4p h LEU 124 Cb 1.24 0.40 -0.03 0.00 1.08 0.00 0.00 40.66 43.36 1m4p h LEU 124 CO 0.66 -0.37 -0.41 -0.07 -1.08 0.00 0.00 178.44 177.17 1m4p h LEU 125 N 0.02 -1.20 -1.24 1.67 4.07 -1.95 1.01 115.31 117.68 1m4p h LEU 125 Ca 0.68 0.12 0.14 0.00 0.08 0.00 0.00 57.88 58.90 1m4p h LEU 125 Cb 1.56 0.43 -0.07 0.00 1.08 0.00 0.00 40.66 43.66 1m4p h LEU 125 CO -0.86 -0.47 0.58 1.23 -1.08 0.00 0.00 178.44 177.85 1m4p h GLY 126 N -0.66 1.28 0.80 0.83 0.00 -0.63 1.47 103.07 106.15 1m4p h GLY 126 Ca -0.02 -0.32 -0.03 0.00 0.00 0.00 0.00 47.33 46.96 1m4p h GLY 126 CO -0.17 0.10 -0.32 -2.00 0.00 0.00 0.00 176.54 174.16 1m4p h LEU 127 N 0.74 -0.75 -1.44 3.11 6.46 0.55 -1.85 115.31 122.13 1m4p h LEU 127 Ca 0.46 -0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 58.19 1m4p h LEU 127 Cb 0.68 0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 40.78 1m4p h LEU 127 CO -0.22 -0.41 0.22 0.40 -0.62 0.00 0.00 178.44 177.81 1m4p h ILE 128 N -1.10 1.14 -0.55 4.05 2.04 0.17 -1.99 117.51 121.27 1m4p h ILE 128 Ca -0.09 -0.39 0.08 0.00 1.00 0.00 0.00 64.86 65.46 1m4p h ILE 128 Cb 0.72 0.59 -0.06 0.00 -0.74 0.00 0.00 36.82 37.32 1m4p h ILE 128 CO 0.15 0.16 0.21 -0.61 0.00 0.00 0.00 178.15 178.06 1m4p h GLN 129 N 0.60 0.38 -0.23 2.37 4.15 0.22 0.54 115.11 123.14 1m4p h GLN 129 Ca 0.15 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.54 1m4p h GLN 129 Cb 0.05 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.64 1m4p h GLN 129 CO -0.02 0.25 0.11 0.28 -1.93 0.00 0.00 178.83 177.51 1m4p h VAL 130 N 0.39 1.15 -0.90 2.39 2.07 -0.60 -2.10 116.25 118.65 1m4p h VAL 130 Ca 0.27 -0.42 0.02 0.00 0.82 0.00 0.00 66.70 67.39 1m4p h VAL 130 Cb 0.30 1.00 -0.05 0.00 -1.52 0.00 0.00 31.29 31.03 1m4p h VAL 130 CO -0.27 0.14 0.59 -0.03 0.02 0.00 0.00 177.57 178.03 1m4p h MET 131 N 0.24 1.14 -0.33 1.57 1.85 -0.88 0.40 114.93 118.92 1m4p h MET 131 Ca 0.08 -0.07 -0.01 0.00 -0.61 0.00 0.00 59.70 59.09 1m4p h MET 131 Cb 0.13 -0.26 -0.02 0.00 0.43 0.00 0.00 31.60 31.89 1m4p h MET 131 CO -0.01 0.76 0.15 0.82 -0.40 0.00 0.00 176.91 178.22 1m4p h ILE 132 N 1.18 1.12 0.24 1.77 2.04 0.47 1.48 117.51 125.81 1m4p h ILE 132 Ca 0.34 -0.36 -0.33 0.00 1.00 0.00 0.00 64.86 65.51 1m4p h ILE 132 Cb -0.08 0.72 0.03 0.00 -0.74 0.00 0.00 36.82 36.75 1m4p h ILE 132 CO -0.09 0.14 -1.45 0.58 0.00 0.00 0.00 178.15 177.33 1m4p h VAL 133 N 0.46 1.31 -0.28 1.67 2.07 -0.45 0.42 116.25 121.45 1m4p h VAL 133 Ca 0.12 -2.76 -0.13 0.00 0.82 0.00 0.00 66.70 64.75 1m4p h VAL 133 Cb 0.07 3.03 -0.01 0.00 -1.52 0.00 0.00 31.29 32.86 1m4p h VAL 133 CO -0.01 0.82 -0.37 0.58 0.02 0.00 0.00 177.57 178.61 1m4p h VAL 134 N 0.14 1.29 -0.61 2.57 2.07 0.50 -2.98 116.25 119.22 1m4p h VAL 134 Ca -0.24 -1.52 -0.37 0.00 0.82 0.00 0.00 66.70 65.39 1m4p h VAL 134 Cb 2.14 1.47 -0.22 0.00 -1.52 0.00 0.00 31.29 33.16 1m4p h VAL 134 CO 0.27 0.49 0.05 0.49 0.02 0.00 0.00 177.57 178.88 1m4p n PHE 135 N -4.05 1.99 0.00 1.57 3.01 0.50 -4.41 117.46 116.07 1m4p n PHE 135 Ca -0.01 -1.98 0.00 0.00 1.01 0.00 0.00 57.45 56.47 1m4p n PHE 135 Cb 0.50 -0.69 0.00 0.00 -0.01 0.00 0.00 39.48 39.28 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 -1.03 0.00 0.01 1.37 0.00 0.14 -4.76 105.19 100.92 1m4p n GLY 136 Ca 0.44 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.45 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 -0.01 -3.80 1.61 1.82 -1.75 -3.42 116.42 110.87 1m4p h ASP 137 Ca 0.00 0.00 -0.49 0.00 -0.39 0.00 0.00 57.03 56.15 1m4p h ASP 137 Cb 0.93 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.96 1m4p h ASP 137 CO 0.00 0.00 0.18 -1.61 -1.61 0.00 0.00 179.24 176.20 1m4p s GLU 138 N -1.63 3.76 -0.33 0.28 2.02 -1.26 -4.97 118.70 116.56 1m4p s GLU 138 Ca -0.00 0.53 -0.29 0.00 0.02 0.00 0.00 54.97 55.23 1m4p s GLU 138 Cb 0.00 -2.33 0.00 0.00 0.10 0.00 0.00 34.13 31.90 1m4p s GLU 138 CO 0.01 -0.13 1.37 -1.25 0.02 0.00 0.00 175.26 175.27 1m4p s PRO 139 N -4.09 3.78 0.26 0.39 0.04 -1.26 -4.67 135.00 129.45 1m4p s PRO 139 Ca 0.52 1.17 0.12 0.00 0.04 0.00 0.00 61.00 62.85 1m4p s PRO 139 Cb -0.10 -3.95 0.27 0.00 0.04 0.00 0.00 34.50 30.76 1m4p s PRO 139 CO 0.35 -1.30 1.54 -1.00 0.04 0.00 0.00 177.00 176.63 1m4p h PRO 140 N 9.93 0.00 0.00 0.56 0.13 -1.89 -3.41 132.00 137.32 1m4p h PRO 140 Ca -0.27 0.00 -0.16 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 0.64 -0.13 1.55 -0.23 0.00 0.00 178.00 180.88 1m4p n VAL 141 N -3.57 0.00 -1.70 1.56 3.14 -1.26 -3.84 118.33 112.67 1m4p n VAL 141 Ca -0.00 -0.99 -0.43 0.00 -2.96 0.00 0.00 64.34 59.95 1m4p n VAL 141 Cb 0.68 1.23 -0.02 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 0.40 2.35 -3.30 1.45 1.16 -1.19 -4.25 117.46 114.08 1m4p n PHE 142 Ca -0.02 0.45 -0.20 0.00 -1.87 0.00 0.00 57.45 55.81 1m4p n PHE 142 Cb 0.74 -2.47 0.01 0.00 -1.61 0.00 0.00 39.48 36.15 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 0.07 5.16 0.78 5.98 0.15 -1.26 -3.22 113.70 121.36 1m4p s SER 143 Ca 0.62 -0.78 -0.13 0.00 0.70 0.00 0.00 55.95 56.36 1m4p s SER 143 Cb -0.59 -0.15 0.07 0.00 -1.71 0.00 0.00 66.02 63.65 1m4p s SER 143 CO 0.55 -0.98 1.19 0.00 1.20 0.00 0.00 173.24 175.20 1m4p s ARG 144 N -4.39 1.83 0.00 5.44 1.70 -1.26 -4.99 118.95 117.28 1m4p s ARG 144 Ca 0.52 1.68 0.24 0.00 -0.47 0.00 0.00 55.73 57.70 1m4p s ARG 144 Cb -0.06 -1.81 1.43 0.00 -0.57 0.00 0.00 34.95 33.95 1m4p s ARG 144 CO 0.32 -2.05 1.79 -0.35 -1.08 0.00 0.00 175.30 173.93