#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 0.09 0.00 0.00 3.04 -2.04 -0.19 116.25 117.14 1m4p h VAL 3 Ca 0.00 -0.40 0.00 0.00 -1.01 0.00 0.00 66.70 65.29 1m4p h VAL 3 Cb 0.00 1.36 0.00 0.00 -2.01 0.00 0.00 31.29 30.64 1m4p h VAL 3 CO 0.00 0.02 -0.27 -1.20 -1.01 0.00 0.00 177.57 175.11 1m4p n SER 4 N -3.16 0.60 -0.58 3.17 7.64 -1.26 -3.94 113.62 116.09 1m4p n SER 4 Ca -0.01 0.31 0.45 0.00 1.01 0.00 0.00 58.87 60.64 1m4p n SER 4 Cb 0.24 -0.30 0.72 0.00 -1.01 0.00 0.00 64.21 63.85 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 -1.99 -0.01 0.44 1.43 0.00 -0.08 0.97 120.64 121.40 1m4p n GLU 5 Ca 0.05 1.07 -0.18 0.00 0.00 0.00 0.00 57.16 58.10 1m4p n GLU 5 Cb 0.41 -2.32 -0.09 0.00 0.00 0.00 0.00 31.44 29.44 1m4p n GLU 5 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 1m4p h SER 6 N 0.00 -0.95 0.11 4.31 0.87 -1.79 -2.61 113.55 113.49 1m4p h SER 6 Ca 0.86 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 61.43 1m4p h SER 6 Cb 3.21 0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 65.41 1m4p h SER 6 CO -0.17 -0.62 -0.06 -0.61 -0.53 0.00 0.00 176.83 174.84 1m4p h GLN 7 N -1.23 0.00 0.39 2.24 4.15 0.32 -2.80 115.11 118.17 1m4p h GLN 7 Ca -0.12 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.30 1m4p h GLN 7 Cb 0.87 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.54 1m4p h GLN 7 CO 0.19 0.06 -0.45 -0.07 -1.93 0.00 0.00 178.83 176.62 1m4p h LEU 8 N 0.00 -1.25 -1.84 -2.39 3.38 -0.52 0.71 115.31 113.39 1m4p h LEU 8 Ca -0.00 0.11 0.10 0.00 0.09 0.00 0.00 57.88 58.18 1m4p h LEU 8 Cb 0.13 0.42 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1m4p h LEU 8 CO 0.01 -0.57 0.50 0.50 0.09 0.00 0.00 178.44 178.96 1m4p h LYS 9 N -0.85 0.00 0.00 1.13 3.64 -1.21 1.67 116.57 120.95 1m4p h LYS 9 Ca -0.05 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.12 1m4p h LYS 9 Cb 0.75 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.54 1m4p h LYS 9 CO -0.09 0.00 -1.12 0.87 -2.27 0.00 0.00 179.45 176.84 1m4p h LYS 10 N 0.00 0.00 0.00 1.90 1.57 -0.70 -2.43 116.57 116.91 1m4p h LYS 10 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1m4p h LYS 10 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1m4p h LYS 10 CO -0.00 0.80 0.00 0.52 -0.57 0.00 0.00 179.45 180.20 1m4p h MET 11 N 0.00 0.00 0.00 3.15 2.86 0.84 -3.42 114.93 118.36 1m4p h MET 11 Ca -0.08 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1m4p h MET 11 Cb 1.77 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.43 1m4p h MET 11 CO 0.11 0.00 0.00 1.33 1.06 0.00 0.00 176.91 179.41 1m4p n VAL 12 N -2.50 0.00 -1.30 -2.22 0.24 -0.34 -4.86 118.33 107.35 1m4p n VAL 12 Ca 0.04 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.22 1m4p n VAL 12 Cb 0.39 -0.10 -0.05 0.00 -1.47 0.00 0.00 33.84 32.61 1m4p n VAL 12 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1m4p n SER 13 N 0.00 -4.76 -0.02 -1.34 3.41 -0.92 -4.67 113.62 105.32 1m4p n SER 13 Ca 0.00 0.30 -0.03 0.00 -0.26 0.00 0.00 58.87 58.88 1m4p n SER 13 Cb 0.00 -3.80 -0.03 0.00 -0.26 0.00 0.00 64.21 60.12 1m4p n SER 13 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1m4p n LYS 14 N -1.21 2.09 -1.62 4.33 5.02 -1.26 -5.01 118.16 120.49 1m4p n LYS 14 Ca -0.12 0.01 -0.51 0.00 -2.02 0.00 0.00 58.31 55.67 1m4p n LYS 14 Cb 0.53 -1.11 -0.06 0.00 -0.02 0.00 0.00 35.03 34.37 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 -2.35 1.76 -0.52 2.13 4.02 -1.26 -4.76 117.16 116.18 1m4p n TYR 15 Ca -0.08 0.52 0.42 0.00 -0.01 0.00 0.00 57.90 58.75 1m4p n TYR 15 Cb 0.63 -2.40 0.71 0.00 -0.02 0.00 0.00 39.34 38.26 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 5.22 0.03 -2.06 -0.72 3.11 -1.96 -0.57 116.57 119.63 1m4p h LYS 16 Ca -0.47 -0.00 -0.53 0.00 -2.81 0.00 0.00 60.65 56.84 1m4p h LYS 16 Cb 1.31 -0.01 -0.40 0.00 -1.00 0.00 0.00 32.23 32.13 1m4p h LYS 16 CO 0.82 0.02 -1.04 0.66 -2.81 0.00 0.00 179.45 177.11 1m4p n TYR 17 N -4.50 0.95 -0.23 1.91 4.01 -1.26 -4.94 117.16 113.09 1m4p n TYR 17 Ca 0.40 -3.81 0.04 0.00 -0.16 0.00 0.00 57.90 54.36 1m4p n TYR 17 Cb 1.63 -0.43 0.14 0.00 -0.31 0.00 0.00 39.34 40.37 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 3.34 0.14 0.50 -0.72 2.43 -1.44 1.54 114.38 120.18 1m4p h ARG 18 Ca 0.11 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.25 1m4p h ARG 18 Cb 0.85 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.35 1m4p h ARG 18 CO 0.57 0.10 -0.34 0.38 -1.51 0.00 0.00 179.97 179.16 1m4p h ASP 19 N 0.15 -0.88 -0.03 -3.80 2.03 -1.92 1.13 116.42 113.10 1m4p h ASP 19 Ca 0.38 0.06 0.01 0.00 -0.73 0.00 0.00 57.03 56.74 1m4p h ASP 19 Cb 0.64 0.27 -0.00 0.00 -0.83 0.00 0.00 39.33 39.41 1m4p h ASP 19 CO -0.57 -0.52 0.02 0.25 -1.03 0.00 0.00 179.24 177.39 1m4p h LEU 20 N -0.81 0.00 0.32 0.15 5.85 -1.57 0.62 115.31 119.86 1m4p h LEU 20 Ca -0.05 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 1m4p h LEU 20 Cb 0.68 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.71 1m4p h LEU 20 CO 0.03 0.00 -0.15 0.74 -0.34 0.00 0.00 178.44 178.72 1m4p h THR 21 N 0.00 0.13 -0.48 1.05 2.02 0.34 -1.14 112.91 114.83 1m4p h THR 21 Ca 0.01 -0.74 0.02 0.00 0.77 0.00 0.00 66.41 66.48 1m4p h THR 21 Cb 0.06 0.22 -0.03 0.00 -1.74 0.00 0.00 68.15 66.66 1m4p h THR 21 CO -0.00 0.03 0.32 0.58 0.37 0.00 0.00 175.52 176.82 1m4p h VAL 22 N -1.09 1.08 -0.58 3.16 2.07 0.16 0.33 116.25 121.39 1m4p h VAL 22 Ca -0.04 -0.20 -0.10 0.00 0.82 0.00 0.00 66.70 67.17 1m4p h VAL 22 Cb 0.38 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 1m4p h VAL 22 CO 0.07 0.11 -0.03 -0.09 0.02 0.00 0.00 177.57 177.65 1m4p h ARG 23 N 0.59 1.04 -0.05 1.57 2.43 0.19 0.12 114.38 120.28 1m4p h ARG 23 Ca 0.19 -0.34 -0.19 0.00 -0.81 0.00 0.00 59.98 58.83 1m4p h ARG 23 Cb 0.02 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 1m4p h ARG 23 CO -0.04 1.03 -0.79 0.93 -1.51 0.00 0.00 179.97 179.59 1m4p h GLU 24 N 0.94 0.35 0.17 0.20 3.07 0.15 -0.87 114.58 118.58 1m4p h GLU 24 Ca 0.16 -0.31 -0.01 0.00 -0.50 0.00 0.00 59.36 58.70 1m4p h GLU 24 Cb 0.58 0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.56 1m4p h GLU 24 CO 0.03 0.97 -0.08 1.15 -1.40 0.00 0.00 179.01 179.68 1m4p h THR 25 N 0.22 0.95 -0.79 1.13 2.02 -0.16 -2.37 112.91 113.92 1m4p h THR 25 Ca -0.04 -0.79 -0.03 0.00 0.77 0.00 0.00 66.41 66.32 1m4p h THR 25 Cb 1.38 1.41 -0.04 0.00 -1.74 0.00 0.00 68.15 69.16 1m4p h THR 25 CO 0.13 0.18 0.38 -0.37 0.37 0.00 0.00 175.52 176.21 1m4p h VAL 26 N -0.63 1.24 -0.85 3.16 -1.51 -0.83 -1.84 116.25 114.99 1m4p h VAL 26 Ca -0.02 -0.68 0.12 0.00 -1.23 0.00 0.00 66.70 64.88 1m4p h VAL 26 Cb 0.47 0.23 -0.08 0.00 -2.13 0.00 0.00 31.29 29.77 1m4p h VAL 26 CO 0.04 0.29 0.47 0.78 -1.23 0.00 0.00 177.57 177.92 1m4p h ASN 27 N 1.12 0.64 0.31 4.19 4.21 -1.10 1.44 115.58 126.39 1m4p h ASN 27 Ca 0.27 0.07 -0.02 0.00 1.21 0.00 0.00 56.30 57.83 1m4p h ASN 27 Cb 0.10 -0.05 0.00 0.00 -1.12 0.00 0.00 38.32 37.26 1m4p h ASN 27 CO -0.04 0.32 -0.15 0.58 -1.29 0.00 0.00 177.43 176.86 1m4p h VAL 28 N 0.74 0.00 -0.16 2.81 2.07 -0.79 -0.45 116.25 120.46 1m4p h VAL 28 Ca 0.44 -0.02 0.05 0.00 0.82 0.00 0.00 66.70 67.99 1m4p h VAL 28 Cb 0.50 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 1m4p h VAL 28 CO -0.30 0.00 0.27 0.16 0.02 0.00 0.00 177.57 177.73 1m4p h ILE 29 N -0.43 0.26 0.00 4.57 3.07 -1.14 0.82 117.51 124.65 1m4p h ILE 29 Ca -0.04 0.00 -0.09 0.00 1.55 0.00 0.00 64.86 66.27 1m4p h ILE 29 Cb 0.32 0.76 -0.01 0.00 -0.27 0.00 0.00 36.82 37.62 1m4p h ILE 29 CO 0.07 0.00 -0.45 0.74 -1.05 0.00 0.00 178.15 177.46 1m4p h THR 30 N 0.00 1.04 0.03 0.16 2.02 0.25 0.85 112.91 117.26 1m4p h THR 30 Ca 0.08 -1.72 -0.22 0.00 0.77 0.00 0.00 66.41 65.32 1m4p h THR 30 Cb 0.63 2.01 -0.02 0.00 -1.74 0.00 0.00 68.15 69.02 1m4p h THR 30 CO -0.00 0.44 -1.19 0.25 0.37 0.00 0.00 175.52 175.39 1m4p h LEU 31 N 0.00 0.09 0.00 2.58 6.46 0.22 -3.43 115.31 121.24 1m4p h LEU 31 Ca -0.00 -0.66 0.00 0.00 -0.12 0.00 0.00 57.88 57.09 1m4p h LEU 31 Cb 0.97 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 40.87 1m4p h LEU 31 CO 0.06 1.48 -0.30 -1.22 -0.62 0.00 0.00 178.44 177.84 1m4p n TYR 32 N -4.29 0.52 -0.73 1.25 4.01 -0.01 -4.99 117.16 112.92 1m4p n TYR 32 Ca -0.28 0.22 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 1m4p n TYR 32 Cb 0.72 -0.54 0.00 0.00 -0.31 0.00 0.00 39.34 39.21 1m4p n TYR 32 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1m4p n LYS 33 N -3.61 0.00 -0.02 -0.72 4.81 0.30 -4.89 118.16 114.02 1m4p n LYS 33 Ca -0.04 0.21 0.02 0.00 -0.87 0.00 0.00 58.31 57.62 1m4p n LYS 33 Cb 0.16 -2.60 -0.09 0.00 0.02 0.00 0.00 35.03 32.52 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 0.84 2.42 -4.40 3.14 9.92 -1.26 -5.01 116.55 122.19 1m4p n ASP 34 Ca 0.00 0.00 -0.29 0.00 -0.53 0.00 0.00 54.79 53.97 1m4p n ASP 34 Cb 0.00 1.23 0.17 0.00 -0.64 0.00 0.00 41.12 41.88 1m4p n ASP 34 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1m4p s LEU 35 N -4.16 2.01 -0.21 0.64 1.02 -1.26 -3.63 118.68 113.10 1m4p s LEU 35 Ca -0.05 0.67 -0.08 0.00 0.02 0.00 0.00 54.13 54.69 1m4p s LEU 35 Cb 0.06 -2.80 0.09 0.00 0.02 0.00 0.00 46.19 43.56 1m4p s LEU 35 CO 0.45 -2.86 0.45 -0.75 0.02 0.00 0.00 176.35 173.67 1m4p s LYS 36 N -5.52 0.37 -0.12 1.70 2.20 0.98 -4.91 119.74 114.43 1m4p s LYS 36 Ca 0.68 1.06 -0.29 0.00 -0.36 0.00 0.00 55.97 57.05 1m4p s LYS 36 Cb -0.10 0.34 -0.02 0.00 -1.51 0.00 0.00 37.83 36.54 1m4p s LYS 36 CO 0.53 -0.23 1.26 -1.25 -0.36 0.00 0.00 175.35 175.30 1m4p s PRO 37 N 2.48 4.27 0.25 4.03 0.04 -1.26 -0.97 135.00 143.83 1m4p s PRO 37 Ca -0.03 1.69 0.10 0.00 0.04 0.00 0.00 61.00 62.80 1m4p s PRO 37 Cb -0.11 -3.70 -0.05 0.00 0.04 0.00 0.00 34.50 30.68 1m4p s PRO 37 CO -0.14 -0.62 -0.11 0.54 0.04 0.00 0.00 177.00 176.71 1m4p s VAL 38 N 3.06 2.96 -0.12 -0.36 0.11 0.14 -4.98 120.40 121.21 1m4p s VAL 38 Ca 0.56 -2.05 -0.02 0.00 -2.93 0.00 0.00 61.98 57.55 1m4p s VAL 38 Cb -0.23 -2.54 -0.03 0.00 -1.53 0.00 0.00 36.38 32.05 1m4p s VAL 38 CO 0.18 -0.31 -0.06 -0.22 -3.33 0.00 0.00 175.10 171.36 1m4p s LEU 39 N -3.36 3.16 0.07 2.54 1.98 -1.26 -0.95 118.68 120.86 1m4p s LEU 39 Ca 0.29 -0.11 0.03 0.00 -2.89 0.00 0.00 54.13 51.44 1m4p s LEU 39 Cb -0.07 -1.73 -0.03 0.00 0.66 0.00 0.00 46.19 45.03 1m4p s LEU 39 CO 0.16 0.24 -0.09 1.51 -1.89 0.00 0.00 176.35 176.29 1m4p s ASP 40 N -0.10 1.15 -0.02 3.68 1.47 -0.25 -4.94 116.67 117.66 1m4p s ASP 40 Ca 0.01 -0.74 0.01 0.00 1.18 0.00 0.00 52.55 53.01 1m4p s ASP 40 Cb -0.13 0.04 0.01 0.00 -0.34 0.00 0.00 42.92 42.50 1m4p s ASP 40 CO 0.03 -0.28 -0.04 -0.55 0.68 0.00 0.00 175.17 175.01 1m4p s SER 41 N -2.19 0.66 0.00 2.11 0.15 -1.26 -0.45 113.70 112.73 1m4p s SER 41 Ca 0.00 -0.09 -0.12 0.00 0.70 0.00 0.00 55.95 56.45 1m4p s SER 41 Cb -0.04 -0.23 0.01 0.00 -1.71 0.00 0.00 66.02 64.05 1m4p s SER 41 CO -0.01 -0.01 0.24 -0.47 1.20 0.00 0.00 173.24 174.19 1m4p s TYR 42 N 0.47 -0.07 0.25 3.44 5.04 -0.91 -4.88 117.35 120.70 1m4p s TYR 42 Ca -0.05 0.03 -0.29 0.00 -2.44 0.00 0.00 57.07 54.31 1m4p s TYR 42 Cb -0.09 0.03 -0.09 0.00 0.35 0.00 0.00 41.96 42.16 1m4p s TYR 42 CO -0.00 -0.38 0.95 0.14 -1.34 0.00 0.00 175.55 174.92 1m4p s VAL 43 N -1.65 4.04 0.11 3.14 -7.23 -1.26 -0.13 120.40 117.42 1m4p s VAL 43 Ca -0.12 2.02 0.00 0.00 -1.81 0.00 0.00 61.98 62.07 1m4p s VAL 43 Cb -0.05 -4.27 0.00 0.00 0.56 0.00 0.00 36.38 32.63 1m4p s VAL 43 CO 0.02 0.45 0.00 0.49 -0.31 0.00 0.00 175.10 175.74 1m4p n PHE 44 N 1.36 -1.39 -1.53 2.82 3.72 -0.84 -4.66 117.46 116.93 1m4p n PHE 44 Ca -0.01 0.24 -0.30 0.00 -0.05 0.00 0.00 57.45 57.33 1m4p n PHE 44 Cb 0.47 0.79 -0.12 0.00 -0.94 0.00 0.00 39.48 39.68 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 -2.84 0.81 -2.23 4.37 3.02 -1.25 -1.17 115.26 115.97 1m4p n ASN 45 Ca 0.00 -0.50 -0.03 0.00 -0.03 0.00 0.00 54.58 54.02 1m4p n ASN 45 Cb 0.00 -1.18 -0.00 0.00 -0.61 0.00 0.00 39.78 37.99 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 12.69 -1.56 -0.92 6.41 2.03 -1.26 -1.22 116.55 132.72 1m4p n ASP 46 Ca 0.54 0.36 0.00 0.00 0.52 0.00 0.00 54.79 56.21 1m4p n ASP 46 Cb 0.28 -1.50 0.00 0.00 -0.72 0.00 0.00 41.12 39.19 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 -0.48 0.64 2.69 0.27 0.00 -0.32 -5.10 105.19 102.88 1m4p n GLY 47 Ca -0.04 -0.46 -0.22 0.00 0.00 0.00 0.00 46.02 45.30 1m4p n GLY 47 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1m4p s SER 48 N -2.40 1.53 0.28 1.61 0.15 -0.35 -4.78 113.70 109.74 1m4p s SER 48 Ca 0.00 -0.12 -0.25 0.00 0.70 0.00 0.00 55.95 56.28 1m4p s SER 48 Cb 0.00 -0.25 -0.16 0.00 -1.71 0.00 0.00 66.02 63.90 1m4p s SER 48 CO 0.00 -0.26 0.35 -1.54 1.20 0.00 0.00 173.24 172.99 1m4p n SER 49 N 5.25 -1.88 -3.79 5.45 3.41 -1.26 -2.00 113.62 118.80 1m4p n SER 49 Ca -0.05 1.01 -0.13 0.00 -0.26 0.00 0.00 58.87 59.44 1m4p n SER 49 Cb 0.50 -0.92 -0.13 0.00 -0.26 0.00 0.00 64.21 63.39 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 -1.00 0.13 -0.42 4.33 3.52 0.81 -4.82 118.95 121.51 1m4p s ARG 50 Ca 0.62 0.27 -0.29 0.00 -0.13 0.00 0.00 55.73 56.21 1m4p s ARG 50 Cb -0.82 -0.03 0.02 0.00 -1.56 0.00 0.00 34.95 32.56 1m4p s ARG 50 CO 0.59 -0.08 1.30 -1.21 -0.81 0.00 0.00 175.30 175.09 1m4p s GLU 51 N 0.55 3.68 0.24 5.12 2.02 -1.26 -2.14 118.70 126.91 1m4p s GLU 51 Ca -0.04 0.86 0.10 0.00 0.02 0.00 0.00 54.97 55.91 1m4p s GLU 51 Cb -0.05 -3.96 -0.05 0.00 0.10 0.00 0.00 34.13 30.17 1m4p s GLU 51 CO -0.03 -1.43 -0.17 -1.17 0.02 0.00 0.00 175.26 172.48 1m4p s LEU 52 N 4.94 2.57 0.22 1.80 0.20 0.41 -4.98 118.68 123.85 1m4p s LEU 52 Ca 0.56 -1.03 0.10 0.00 0.69 0.00 0.00 54.13 54.44 1m4p s LEU 52 Cb -0.12 -0.88 -0.04 0.00 -0.43 0.00 0.00 46.19 44.72 1m4p s LEU 52 CO 0.31 -0.07 -0.08 -0.32 -0.29 0.00 0.00 176.35 175.89 1m4p s MET 53 N -3.58 2.08 0.21 1.98 1.75 -1.26 -1.09 119.30 119.39 1m4p s MET 53 Ca 0.26 -1.39 -0.15 0.00 -1.25 0.00 0.00 55.69 53.17 1m4p s MET 53 Cb -0.03 -2.10 0.01 0.00 2.84 0.00 0.00 34.83 35.55 1m4p s MET 53 CO 0.11 0.40 0.47 0.54 -0.65 0.00 0.00 175.02 175.89 1m4p s ASN 54 N -3.21 -0.15 0.14 1.11 4.22 -0.12 -1.50 114.94 115.43 1m4p s ASN 54 Ca 0.28 -0.70 0.07 0.00 -2.14 0.00 0.00 52.86 50.37 1m4p s ASN 54 Cb -0.07 0.56 -0.04 0.00 1.28 0.00 0.00 41.25 42.98 1m4p s ASN 54 CO 0.17 -1.07 -0.17 -0.76 -2.04 0.00 0.00 177.10 173.23 1m4p s LEU 55 N -2.94 2.41 -0.16 3.54 1.43 0.10 0.26 118.68 123.32 1m4p s LEU 55 Ca 0.15 -0.82 -0.29 0.00 -1.03 0.00 0.00 54.13 52.13 1m4p s LEU 55 Cb -0.00 -0.73 0.11 0.00 0.03 0.00 0.00 46.19 45.60 1m4p s LEU 55 CO 0.02 -0.07 0.91 0.28 0.23 0.00 0.00 176.35 177.72 1m4p s THR 56 N -2.00 0.00 -3.68 5.49 -1.32 -0.14 -2.29 115.64 111.69 1m4p s THR 56 Ca 0.12 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.60 1m4p s THR 56 Cb -0.06 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.93 1m4p s THR 56 CO 0.05 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.07 1m4p n GLY 57 N 1.12 -1.28 3.25 6.08 0.00 -1.02 -0.01 105.19 113.33 1m4p n GLY 57 Ca -0.13 -1.10 -0.35 0.00 0.00 0.00 0.00 46.02 44.43 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 3.24 0.01 2.61 -4.23 -1.24 -1.45 115.64 111.58 1m4p s THR 58 Ca 0.00 -0.88 -0.23 0.00 -1.18 0.00 0.00 61.69 59.40 1m4p s THR 58 Cb 0.00 -2.64 -0.05 0.00 1.34 0.00 0.00 72.50 71.15 1m4p s THR 58 CO 0.00 0.18 0.69 -0.63 -0.54 0.00 0.00 174.62 174.32 1m4p s ILE 59 N 1.39 4.85 -0.60 2.99 1.01 0.11 -4.66 121.20 126.29 1m4p s ILE 59 Ca 0.01 1.44 -0.27 0.00 0.00 0.00 0.00 60.65 61.83 1m4p s ILE 59 Cb -0.17 -4.03 0.01 0.00 0.01 0.00 0.00 42.46 38.28 1m4p s ILE 59 CO -0.02 0.37 1.52 -2.16 0.00 0.00 0.00 174.94 174.64 1m4p s PRO 60 N 0.03 3.11 -0.37 2.79 0.04 -1.26 -0.18 135.00 139.17 1m4p s PRO 60 Ca 0.35 0.40 -0.20 0.00 0.04 0.00 0.00 61.00 61.59 1m4p s PRO 60 Cb -0.19 -4.21 0.00 0.00 0.04 0.00 0.00 34.50 30.15 1m4p s PRO 60 CO 0.20 -2.18 0.60 0.08 0.04 0.00 0.00 177.00 175.74 1m4p s VAL 61 N 6.80 4.92 0.72 -0.36 1.01 0.17 -4.87 120.40 128.79 1m4p s VAL 61 Ca 0.54 0.42 -0.11 0.00 0.00 0.00 0.00 61.98 62.83 1m4p s VAL 61 Cb -0.11 -4.06 0.02 0.00 0.00 0.00 0.00 36.38 32.23 1m4p s VAL 61 CO 0.22 -0.33 1.07 -2.16 0.00 0.00 0.00 175.10 173.90 1m4p s PRO 62 N 2.62 2.70 0.00 2.72 0.04 -1.26 0.50 135.00 142.33 1m4p s PRO 62 Ca 0.22 0.86 0.00 0.00 0.04 0.00 0.00 61.00 62.12 1m4p s PRO 62 Cb -0.15 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.42 1m4p s PRO 62 CO 0.15 -1.24 0.00 0.98 0.04 0.00 0.00 177.00 176.93 1m4p n TYR 63 N -3.21 0.00 -1.89 0.56 9.36 0.50 -4.85 117.16 117.63 1m4p n TYR 63 Ca 0.07 0.00 -0.35 0.00 3.32 0.00 0.00 57.90 60.94 1m4p n TYR 63 Cb 0.54 0.00 -0.01 0.00 -0.63 0.00 0.00 39.34 39.25 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 0.00 3.36 0.00 2.98 0.63 -1.26 -4.29 116.66 118.08 1m4p n ARG 64 Ca 0.00 -3.26 0.00 0.00 -0.92 0.00 0.00 57.85 53.67 1m4p n ARG 64 Cb 0.00 -2.32 0.00 0.00 0.45 0.00 0.00 32.46 30.59 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 0.45 1.93 3.82 5.14 0.00 -1.26 -5.12 105.19 110.14 1m4p n GLY 65 Ca 0.52 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.49 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 -2.00 -0.21 -0.28 1.61 -0.87 -1.26 -5.15 114.94 106.78 1m4p s ASN 66 Ca 0.00 -0.56 0.01 0.00 -1.57 0.00 0.00 52.86 50.74 1m4p s ASN 66 Cb 0.00 0.64 0.15 0.00 -0.02 0.00 0.00 41.25 42.02 1m4p s ASN 66 CO 0.00 -1.18 0.39 -0.89 -2.57 0.00 0.00 177.10 172.85 1m4p s THR 67 N -3.54 -0.60 0.08 1.60 2.01 -1.26 0.19 115.64 114.12 1m4p s THR 67 Ca 0.12 -0.30 -0.01 0.00 0.31 0.00 0.00 61.69 61.81 1m4p s THR 67 Cb -0.04 -0.97 0.02 0.00 0.01 0.00 0.00 72.50 71.52 1m4p s THR 67 CO 0.05 -0.29 0.11 -1.22 -0.69 0.00 0.00 174.62 172.58 1m4p n TYR 68 N 5.35 -3.79 -3.97 4.92 4.02 0.18 -4.71 117.16 119.16 1m4p n TYR 68 Ca -0.00 -0.12 -0.27 0.00 -0.01 0.00 0.00 57.90 57.50 1m4p n TYR 68 Cb 0.49 -0.08 -0.17 0.00 -0.02 0.00 0.00 39.34 39.56 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 -1.42 2.17 0.11 7.72 0.01 -1.26 0.43 114.94 122.71 1m4p s ASN 69 Ca 0.07 -0.31 0.05 0.00 -0.71 0.00 0.00 52.86 51.95 1m4p s ASN 69 Cb -0.00 -0.86 -0.04 0.00 0.41 0.00 0.00 41.25 40.76 1m4p s ASN 69 CO 0.05 -0.10 0.03 -0.51 -1.51 0.00 0.00 177.10 175.06 1m4p s ILE 70 N 1.60 4.11 0.44 0.60 1.10 0.75 -4.85 121.20 124.96 1m4p s ILE 70 Ca 0.03 -1.05 -0.22 0.00 -0.51 0.00 0.00 60.65 58.91 1m4p s ILE 70 Cb -0.13 -3.00 -0.09 0.00 0.15 0.00 0.00 42.46 39.39 1m4p s ILE 70 CO -0.07 0.05 1.05 -2.16 -2.11 0.00 0.00 174.94 171.69 1m4p s PRO 71 N -2.55 3.97 -0.07 3.50 0.04 -1.26 0.05 135.00 138.68 1m4p s PRO 71 Ca 0.27 1.44 -0.07 0.00 0.04 0.00 0.00 61.00 62.68 1m4p s PRO 71 Cb -0.11 -2.30 0.02 0.00 0.04 0.00 0.00 34.50 32.14 1m4p s PRO 71 CO 0.20 -0.30 0.20 0.42 0.04 0.00 0.00 177.00 177.56 1m4p s ILE 72 N -1.83 0.01 -0.26 0.56 -1.09 -0.53 -4.21 121.20 113.85 1m4p s ILE 72 Ca 0.63 -0.04 -0.08 0.00 -2.23 0.00 0.00 60.65 58.93 1m4p s ILE 72 Cb -0.19 -0.31 0.12 0.00 -1.58 0.00 0.00 42.46 40.51 1m4p s ILE 72 CO 0.24 -0.02 0.55 0.00 -1.23 0.00 0.00 174.94 174.47 1m4p s LEU 74 N 2.78 1.29 0.98 0.00 2.34 -0.97 -1.96 118.68 123.13 1m4p s LEU 74 Ca -0.00 0.33 -0.16 0.00 0.06 0.00 0.00 54.13 54.35 1m4p s LEU 74 Cb -0.13 0.55 0.21 0.00 -0.56 0.00 0.00 46.19 46.26 1m4p s LEU 74 CO -0.17 -0.07 1.34 0.26 -1.06 0.00 0.00 176.35 176.65 1m4p s TRP 75 N 0.23 1.44 -0.04 3.48 0.52 -0.86 -0.72 118.94 122.99 1m4p s TRP 75 Ca -0.01 0.28 -0.01 0.00 0.02 0.00 0.00 56.10 56.37 1m4p s TRP 75 Cb -0.02 -4.18 0.03 0.00 -1.15 0.00 0.00 33.47 28.15 1m4p s TRP 75 CO -0.01 -2.76 0.09 -1.17 0.02 0.00 0.00 176.95 173.12 1m4p s LEU 76 N -5.94 0.88 0.00 2.99 2.96 -0.56 -4.52 118.68 114.49 1m4p s LEU 76 Ca 0.75 0.17 0.06 0.00 -0.22 0.00 0.00 54.13 54.89 1m4p s LEU 76 Cb -0.03 0.14 0.06 0.00 0.50 0.00 0.00 46.19 46.86 1m4p s LEU 76 CO 0.53 -0.14 0.46 0.18 -1.32 0.00 0.00 176.35 176.07 1m4p n LEU 77 N 4.22 0.00 -0.10 -0.68 7.99 -1.26 -4.21 117.00 122.96 1m4p n LEU 77 Ca -0.27 -1.54 -0.18 0.00 -0.01 0.00 0.00 56.01 54.01 1m4p n LEU 77 Cb 0.51 -0.23 -0.08 0.00 -0.11 0.00 0.00 43.42 43.50 1m4p n LEU 77 CO 0.20 -0.61 -1.17 0.47 -1.51 0.00 0.00 177.39 174.76 1m4p n ASP 78 N -2.52 2.02 -2.66 -1.43 8.00 -1.26 -4.93 116.55 113.76 1m4p n ASP 78 Ca 0.09 0.06 -0.03 0.00 0.71 0.00 0.00 54.79 55.62 1m4p n ASP 78 Cb 0.37 -0.45 0.08 0.00 -0.02 0.00 0.00 41.12 41.10 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 -3.47 0.00 -3.64 -3.53 5.66 -1.26 -4.60 114.28 103.43 1m4p n THR 79 Ca -0.38 -0.66 -0.03 0.00 -3.05 0.00 0.00 64.05 59.93 1m4p n THR 79 Cb 0.83 0.95 -0.06 0.00 -1.55 0.00 0.00 70.33 70.50 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 0.04 -0.09 -0.03 1.09 5.04 -1.26 -4.80 117.35 117.33 1m4p s TYR 80 Ca 0.16 0.21 -0.24 0.00 -2.44 0.00 0.00 57.07 54.77 1m4p s TYR 80 Cb 0.24 0.48 -0.22 0.00 0.35 0.00 0.00 41.96 42.80 1m4p s TYR 80 CO -0.15 -0.05 1.08 -1.00 -1.34 0.00 0.00 175.55 174.08 1m4p h PRO 81 N 3.00 0.21 0.00 4.97 0.13 -1.95 -3.40 132.00 134.96 1m4p h PRO 81 Ca -0.23 -0.21 -0.19 0.00 -0.87 0.00 0.00 66.00 64.50 1m4p h PRO 81 Cb 1.19 0.05 -0.03 0.00 0.13 0.00 0.00 31.00 32.34 1m4p h PRO 81 CO 0.19 0.91 -1.70 0.98 -0.23 0.00 0.00 178.00 178.14 1m4p n TYR 82 N -4.49 0.00 0.00 1.56 9.36 -1.26 -5.04 117.16 117.29 1m4p n TYR 82 Ca -0.09 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.13 1m4p n TYR 82 Cb 0.50 -0.49 0.00 0.00 -0.63 0.00 0.00 39.34 38.72 1m4p n TYR 82 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 1m4p n ASN 83 N -2.59 0.00 -4.61 2.98 5.15 -1.26 -4.99 115.26 109.94 1m4p n ASN 83 Ca -0.19 0.00 -0.43 0.00 -0.60 0.00 0.00 54.58 53.36 1m4p n ASN 83 Cb 0.79 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 40.02 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 3.65 0.00 1.20 0.04 -1.26 -4.32 135.00 134.31 1m4p s PRO 84 Ca 0.00 1.02 0.00 0.00 0.04 0.00 0.00 61.00 62.06 1m4p s PRO 84 Cb 0.00 -3.99 0.00 0.00 0.04 0.00 0.00 34.50 30.55 1m4p s PRO 84 CO 0.00 -1.46 0.00 -0.35 0.04 0.00 0.00 177.00 175.23 1m4p n PRO 85 N 7.90 0.00 -4.41 0.56 -0.04 -1.26 -4.66 135.00 133.08 1m4p n PRO 85 Ca 0.16 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.40 1m4p n PRO 85 Cb 0.48 -0.14 -0.13 0.00 -0.04 0.00 0.00 33.50 33.66 1m4p n PRO 85 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1m4p s ILE 86 N -0.01 1.35 -0.01 0.52 1.01 -1.26 -5.01 121.20 117.79 1m4p s ILE 86 Ca 0.00 -1.16 0.01 0.00 0.00 0.00 0.00 60.65 59.51 1m4p s ILE 86 Cb 0.00 -1.22 0.00 0.00 0.01 0.00 0.00 42.46 41.25 1m4p s ILE 86 CO 0.00 0.03 -0.04 0.00 0.00 0.00 0.00 174.94 174.93 1m4p s PHE 88 N 0.06 -0.15 0.07 0.00 -0.71 -0.83 -3.88 117.98 112.55 1m4p s PHE 88 Ca -0.00 0.07 0.02 0.00 -1.04 0.00 0.00 56.93 55.97 1m4p s PHE 88 Cb -0.04 0.53 -0.04 0.00 -1.21 0.00 0.00 43.02 42.26 1m4p s PHE 88 CO -0.00 -0.28 0.14 0.54 -1.34 0.00 0.00 175.22 174.27 1m4p s VAL 89 N -2.55 4.92 -0.73 -2.49 0.11 -1.03 -1.83 120.40 116.80 1m4p s VAL 89 Ca 0.09 -0.60 0.04 0.00 -2.93 0.00 0.00 61.98 58.59 1m4p s VAL 89 Cb -0.00 -3.38 0.18 0.00 -1.53 0.00 0.00 36.38 31.64 1m4p s VAL 89 CO -0.05 0.13 0.54 0.29 -3.33 0.00 0.00 175.10 172.69 1m4p n LYS 90 N 0.39 1.97 -1.87 1.54 4.76 -1.26 -4.57 118.16 119.12 1m4p n LYS 90 Ca -0.07 -4.51 -0.32 0.00 -2.87 0.00 0.00 58.31 50.54 1m4p n LYS 90 Cb 0.51 -2.30 0.02 0.00 -1.84 0.00 0.00 35.03 31.43 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 -1.53 3.20 0.00 1.97 0.04 -1.26 -4.63 135.00 132.79 1m4p s PRO 91 Ca 0.26 1.08 0.00 0.00 0.04 0.00 0.00 61.00 62.38 1m4p s PRO 91 Cb -0.03 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.48 1m4p s PRO 91 CO -0.16 -0.89 0.00 0.25 0.04 0.00 0.00 177.00 176.24 1m4p n THR 92 N -2.46 0.00 -0.09 1.26 -2.24 -1.26 -5.00 114.28 104.48 1m4p n THR 92 Ca 0.08 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.77 1m4p n THR 92 Cb 0.53 -1.37 -0.15 0.00 -2.10 0.00 0.00 70.33 67.23 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 -0.45 0.17 0.10 3.42 7.64 -1.26 -4.23 113.62 119.01 1m4p n SER 93 Ca 0.00 0.00 0.13 0.00 1.01 0.00 0.00 58.87 60.01 1m4p n SER 93 Cb 0.00 1.00 0.29 0.00 -1.01 0.00 0.00 64.21 64.49 1m4p n SER 93 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1m4p h SER 94 N 0.00 0.00 -1.36 6.43 0.87 -2.04 -3.46 113.55 113.99 1m4p h SER 94 Ca -0.52 -0.08 -0.05 0.00 -1.23 0.00 0.00 61.79 59.91 1m4p h SER 94 Cb 2.18 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 64.17 1m4p h SER 94 CO 0.03 0.04 -0.01 0.23 -0.53 0.00 0.00 176.83 176.59 1m4p n MET 95 N -2.29 -2.08 -3.23 2.24 2.00 -1.26 -4.49 117.12 108.01 1m4p n MET 95 Ca 0.04 -0.19 -0.02 0.00 0.00 0.00 0.00 57.70 57.54 1m4p n MET 95 Cb 0.45 -0.22 -0.03 0.00 0.00 0.00 0.00 33.22 33.41 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 -1.16 -0.83 0.50 2.03 2.01 -1.19 -4.89 115.64 112.11 1m4p s THR 96 Ca 0.08 -0.09 -0.15 0.00 0.31 0.00 0.00 61.69 61.84 1m4p s THR 96 Cb -0.01 -0.97 -0.07 0.00 0.01 0.00 0.00 72.50 71.46 1m4p s THR 96 CO 0.07 -0.10 0.94 -0.51 -0.69 0.00 0.00 174.62 174.32 1m4p s ILE 97 N 2.71 4.61 -0.19 1.82 2.07 -1.26 -3.01 121.20 127.95 1m4p s ILE 97 Ca 0.13 1.04 -0.01 0.00 -1.41 0.00 0.00 60.65 60.39 1m4p s ILE 97 Cb -0.13 -3.74 0.05 0.00 0.13 0.00 0.00 42.46 38.78 1m4p s ILE 97 CO -0.24 -0.69 -0.01 -0.75 -1.91 0.00 0.00 174.94 171.34 1m4p s LYS 98 N -4.12 1.06 0.33 3.50 2.36 -1.26 -5.00 119.74 116.61 1m4p s LYS 98 Ca 0.57 -0.57 -0.29 0.00 -2.55 0.00 0.00 55.97 53.13 1m4p s LYS 98 Cb -0.10 -2.17 -0.10 0.00 -1.05 0.00 0.00 37.83 34.41 1m4p s LYS 98 CO 0.33 -0.57 1.36 0.95 1.55 0.00 0.00 175.35 178.97 1m4p s THR 99 N 1.70 2.58 0.00 3.43 -4.23 -1.26 -4.63 115.64 113.23 1m4p s THR 99 Ca -0.02 0.57 0.00 0.00 -1.18 0.00 0.00 61.69 61.06 1m4p s THR 99 Cb -0.17 -3.36 0.00 0.00 1.34 0.00 0.00 72.50 70.31 1m4p s THR 99 CO -0.07 0.13 0.00 0.61 -0.54 0.00 0.00 174.62 174.75 1m4p n GLY 100 N 0.90 1.75 2.30 3.99 0.00 -0.70 -4.97 105.19 108.47 1m4p n GLY 100 Ca 0.01 -0.48 -0.23 0.00 0.00 0.00 0.00 46.02 45.31 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 2.22 0.00 1.61 2.85 -1.26 -3.85 118.16 119.73 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 -2.00 0.00 0.00 -0.65 0.00 0.00 35.03 32.38 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 0.84 -1.97 -4.62 5.58 8.25 -1.26 -4.99 115.22 117.05 1m4p n HIS 102 Ca 0.44 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.59 1m4p n HIS 102 Cb 0.58 0.39 -0.13 0.00 1.12 0.00 0.00 29.99 31.96 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 -1.82 2.72 -0.15 1.59 1.01 -1.25 -1.68 120.40 120.81 1m4p s VAL 103 Ca 0.00 -1.27 -0.14 0.00 0.00 0.00 0.00 61.98 60.57 1m4p s VAL 103 Cb 0.00 -2.15 -0.11 0.00 0.00 0.00 0.00 36.38 34.12 1m4p s VAL 103 CO 0.00 0.30 0.13 -0.78 0.00 0.00 0.00 175.10 174.74 1m4p h ASP 104 N 4.43 0.00 0.00 3.32 3.58 -1.81 -1.86 116.42 124.07 1m4p h ASP 104 Ca -0.48 -0.31 0.00 0.00 0.42 0.00 0.00 57.03 56.66 1m4p h ASP 104 Cb 1.16 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.21 1m4p h ASP 104 CO 0.47 0.96 0.00 0.00 -2.88 0.00 0.00 179.24 177.79 1m4p n ALA 105 N -3.23 0.00 1.48 -0.78 0.00 -1.26 -4.55 120.51 112.17 1m4p n ALA 105 Ca -0.13 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.44 1m4p n ALA 105 Cb 0.37 0.00 0.54 0.00 0.00 0.00 0.00 19.45 20.36 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 1.15 0.00 0.00 3.02 -1.26 -4.89 115.26 113.28 1m4p n ASN 106 Ca 0.00 -1.23 0.00 0.00 -0.03 0.00 0.00 54.58 53.32 1m4p n ASN 106 Cb 0.00 0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.19 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 1.21 3.30 3.64 7.41 0.00 -1.26 -4.79 105.19 114.70 1m4p n GLY 107 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1m4p n GLY 107 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1m4p s LYS 108 N -0.77 3.81 0.19 1.61 -2.85 -1.26 -2.46 119.74 118.00 1m4p s LYS 108 Ca 0.00 2.42 -0.33 0.00 -1.00 0.00 0.00 55.97 57.06 1m4p s LYS 108 Cb 0.00 -4.23 -0.13 0.00 -2.06 0.00 0.00 37.83 31.41 1m4p s LYS 108 CO 0.00 -1.33 1.65 -0.89 0.10 0.00 0.00 175.35 174.88 1m4p n ILE 109 N 6.27 0.01 -2.32 3.79 5.41 -1.25 -3.13 119.36 128.14 1m4p n ILE 109 Ca 0.23 -0.00 -0.39 0.00 1.00 0.00 0.00 62.75 63.59 1m4p n ILE 109 Cb 0.42 -1.76 0.02 0.00 -0.71 0.00 0.00 39.64 37.62 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 3.66 2.97 -4.26 1.39 9.36 -0.68 -4.92 117.16 124.68 1m4p n TYR 110 Ca 0.16 -2.56 -0.14 0.00 3.32 0.00 0.00 57.90 58.68 1m4p n TYR 110 Cb 0.32 -1.10 -0.10 0.00 -0.63 0.00 0.00 39.34 37.83 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 -4.14 2.50 -0.07 2.98 1.43 -1.26 -4.67 118.68 115.45 1m4p s LEU 111 Ca 0.46 -1.03 -0.19 0.00 -1.03 0.00 0.00 54.13 52.34 1m4p s LEU 111 Cb 0.32 -0.35 -0.14 0.00 0.03 0.00 0.00 46.19 46.05 1m4p s LEU 111 CO -0.26 -0.34 0.71 1.55 0.23 0.00 0.00 176.35 178.23 1m4p h PRO 112 N 2.75 -0.16 0.00 1.29 0.13 -1.93 -3.46 132.00 130.62 1m4p h PRO 112 Ca -0.37 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1m4p h PRO 112 Cb 1.19 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1m4p h PRO 112 CO 0.64 0.27 0.00 0.66 -0.23 0.00 0.00 178.00 179.34 1m4p n TYR 113 N -4.87 0.00 -0.25 1.56 4.02 -1.26 -3.13 117.16 113.24 1m4p n TYR 113 Ca -0.07 0.00 0.02 0.00 -0.01 0.00 0.00 57.90 57.84 1m4p n TYR 113 Cb 0.25 0.00 0.15 0.00 -0.02 0.00 0.00 39.34 39.72 1m4p n TYR 113 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 1m4p h LEU 114 N 0.00 0.43 -3.82 7.72 6.46 -1.97 0.25 115.31 124.38 1m4p h LEU 114 Ca 0.00 0.07 -0.52 0.00 -0.12 0.00 0.00 57.88 57.31 1m4p h LEU 114 Cb 0.00 0.00 -0.27 0.00 -0.73 0.00 0.00 40.66 39.66 1m4p h LEU 114 CO 0.00 0.23 0.66 1.57 -0.62 0.00 0.00 178.44 180.29 1m4p n HIS 115 N -4.89 2.80 0.03 1.25 -0.00 -1.18 -4.07 115.22 109.16 1m4p n HIS 115 Ca 0.12 -2.12 0.00 0.00 0.46 0.00 0.00 57.72 56.18 1m4p n HIS 115 Cb 0.30 -1.05 0.00 0.00 -0.12 0.00 0.00 29.99 29.12 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 -0.85 0.00 0.00 1.57 2.13 0.68 -4.93 120.64 119.24 1m4p n GLU 116 Ca 0.54 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.36 1m4p n GLU 116 Cb 1.21 -0.06 0.00 0.00 0.27 0.00 0.00 31.44 32.86 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 -2.77 0.00 -4.20 4.31 -0.00 -0.00 -4.88 117.44 109.90 1m4p n TRP 117 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 57.50 57.16 1m4p n TRP 117 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 31.31 31.28 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 -0.44 -2.88 -0.19 5.87 4.81 -1.26 -4.81 118.16 119.27 1m4p n LYS 118 Ca 0.00 0.34 -0.01 0.00 -0.87 0.00 0.00 58.31 57.78 1m4p n LYS 118 Cb 0.00 -4.86 0.10 0.00 0.02 0.00 0.00 35.03 30.29 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 -1.55 0.37 -0.02 5.64 2.76 -1.94 -3.45 115.15 116.96 1m4p h HIS 119 Ca -0.60 0.03 -0.08 0.00 -2.20 0.00 0.00 60.37 57.52 1m4p h HIS 119 Cb 1.38 -0.08 0.01 0.00 1.55 0.00 0.00 27.41 30.27 1m4p h HIS 119 CO 0.60 0.10 -0.30 -1.00 -1.30 0.00 0.00 177.93 176.03 1m4p h PRO 120 N 0.39 0.24 0.00 5.26 0.13 -2.02 -3.49 132.00 132.50 1m4p h PRO 120 Ca 0.29 -0.23 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 1m4p h PRO 120 Cb 0.35 0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.53 1m4p h PRO 120 CO -0.29 0.92 0.00 0.94 -0.23 0.00 0.00 178.00 179.34 1m4p n GLN 121 N -4.46 0.00 -1.36 0.86 0.00 -1.26 -4.77 117.38 106.38 1m4p n GLN 121 Ca -0.09 0.00 -0.40 0.00 -0.00 0.00 0.00 57.00 56.50 1m4p n GLN 121 Cb 0.51 0.00 0.01 0.00 0.00 0.00 0.00 30.24 30.76 1m4p n GLN 121 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1m4p n SER 122 N 0.27 -2.13 -3.91 1.69 2.88 -1.26 -4.99 113.62 106.17 1m4p n SER 122 Ca 0.00 0.79 -0.24 0.00 -1.33 0.00 0.00 58.87 58.10 1m4p n SER 122 Cb 0.00 -1.00 -0.08 0.00 -0.75 0.00 0.00 64.21 62.38 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 -1.02 2.42 0.28 -3.46 -4.77 -1.26 -4.91 116.67 103.96 1m4p s ASP 123 Ca 0.62 -1.70 -0.07 0.00 -3.30 0.00 0.00 52.55 48.10 1m4p s ASP 123 Cb -0.56 0.53 0.49 0.00 -1.09 0.00 0.00 42.92 42.28 1m4p s ASP 123 CO 0.61 -0.97 1.56 0.25 0.70 0.00 0.00 175.17 177.32 1m4p h LEU 124 N 1.90 -0.88 0.51 2.11 7.12 -1.94 1.57 115.31 125.70 1m4p h LEU 124 Ca -0.32 0.30 -0.03 0.00 0.13 0.00 0.00 57.88 57.96 1m4p h LEU 124 Cb 1.26 0.60 0.01 0.00 -0.53 0.00 0.00 40.66 42.00 1m4p h LEU 124 CO 0.51 -0.33 -0.25 -0.07 -0.13 0.00 0.00 178.44 178.17 1m4p h LEU 125 N 0.00 -0.58 -0.91 2.25 4.07 -1.96 -2.73 115.31 115.45 1m4p h LEU 125 Ca 0.49 -0.02 0.15 0.00 0.08 0.00 0.00 57.88 58.58 1m4p h LEU 125 Cb 0.78 0.15 -0.09 0.00 1.08 0.00 0.00 40.66 42.57 1m4p h LEU 125 CO -1.01 -0.36 0.52 1.23 -1.08 0.00 0.00 178.44 177.74 1m4p h GLY 126 N -0.77 1.52 -0.09 0.83 0.00 -0.48 0.73 103.07 104.81 1m4p h GLY 126 Ca -0.07 -0.31 0.05 0.00 0.00 0.00 0.00 47.33 47.00 1m4p h GLY 126 CO 0.12 0.01 -0.43 -2.00 0.00 0.00 0.00 176.54 174.23 1m4p h LEU 127 N 0.74 -1.37 -1.39 3.11 6.46 0.22 1.49 115.31 124.58 1m4p h LEU 127 Ca 0.49 0.19 -0.04 0.00 -0.12 0.00 0.00 57.88 58.40 1m4p h LEU 127 Cb 0.66 0.57 -0.02 0.00 -0.73 0.00 0.00 40.66 41.14 1m4p h LEU 127 CO -0.34 -0.41 0.00 0.40 -0.62 0.00 0.00 178.44 177.47 1m4p h ILE 128 N -0.44 1.16 -0.43 4.05 5.03 -1.02 -2.00 117.51 123.86 1m4p h ILE 128 Ca 0.09 -0.64 -0.05 0.00 -0.12 0.00 0.00 64.86 64.15 1m4p h ILE 128 Cb 0.61 0.96 -0.02 0.00 -3.03 0.00 0.00 36.82 35.35 1m4p h ILE 128 CO -0.46 0.22 0.09 -0.61 -0.68 0.00 0.00 178.15 176.71 1m4p h GLN 129 N 0.39 0.70 -0.59 2.37 4.15 0.17 -0.19 115.11 122.10 1m4p h GLN 129 Ca 0.09 -0.18 0.01 0.00 0.77 0.00 0.00 58.65 59.34 1m4p h GLN 129 Cb 0.26 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.83 1m4p h GLN 129 CO 0.01 0.72 0.39 0.28 -1.93 0.00 0.00 178.83 178.29 1m4p h VAL 130 N 0.56 1.15 -0.47 2.39 2.07 0.25 -1.24 116.25 120.96 1m4p h VAL 130 Ca 0.13 -0.28 -0.05 0.00 0.82 0.00 0.00 66.70 67.33 1m4p h VAL 130 Cb 0.34 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 1m4p h VAL 130 CO 0.00 0.15 0.07 -0.03 0.02 0.00 0.00 177.57 177.78 1m4p h MET 131 N 0.80 0.72 0.00 1.57 1.85 -1.12 -1.18 114.93 117.58 1m4p h MET 131 Ca 0.22 -0.15 -0.05 0.00 -0.61 0.00 0.00 59.70 59.11 1m4p h MET 131 Cb -0.09 -0.11 -0.01 0.00 0.43 0.00 0.00 31.60 31.83 1m4p h MET 131 CO -0.05 0.69 -0.22 0.82 -0.40 0.00 0.00 176.91 177.75 1m4p h ILE 132 N 0.69 0.85 0.04 1.77 2.04 -0.18 0.77 117.51 123.49 1m4p h ILE 132 Ca 0.15 -0.85 -0.22 0.00 1.00 0.00 0.00 64.86 64.94 1m4p h ILE 132 Cb 0.32 1.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 1m4p h ILE 132 CO 0.00 0.21 -1.04 0.58 0.00 0.00 0.00 178.15 177.91 1m4p h VAL 133 N 0.00 1.62 0.25 1.67 2.07 -0.13 -0.96 116.25 120.77 1m4p h VAL 133 Ca -0.00 -3.16 -0.34 0.00 0.82 0.00 0.00 66.70 64.01 1m4p h VAL 133 Cb 0.49 2.80 0.04 0.00 -1.52 0.00 0.00 31.29 33.09 1m4p h VAL 133 CO 0.03 0.91 -1.51 0.58 0.02 0.00 0.00 177.57 177.60 1m4p h VAL 134 N 0.04 1.25 -0.50 2.57 2.07 -0.39 -3.20 116.25 118.09 1m4p h VAL 134 Ca -0.05 -2.68 -0.07 0.00 0.82 0.00 0.00 66.70 64.72 1m4p h VAL 134 Cb 1.77 3.02 -0.04 0.00 -1.52 0.00 0.00 31.29 34.52 1m4p h VAL 134 CO 0.15 0.81 0.09 0.49 0.02 0.00 0.00 177.57 179.14 1m4p n PHE 135 N -3.71 1.73 -0.02 1.57 3.01 0.26 -3.92 117.46 116.38 1m4p n PHE 135 Ca -0.18 -0.73 -0.02 0.00 1.01 0.00 0.00 57.45 57.53 1m4p n PHE 135 Cb 1.10 -0.48 -0.04 0.00 -0.01 0.00 0.00 39.48 40.05 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 0.25 -0.24 0.02 1.37 0.00 -0.36 -4.68 105.19 101.55 1m4p n GLY 136 Ca 0.26 -0.08 -0.00 0.00 0.00 0.00 0.00 46.02 46.19 1m4p n GLY 136 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1m4p h ASP 137 N 0.00 0.00 -2.20 1.61 3.45 -1.67 -3.45 116.42 114.16 1m4p h ASP 137 Ca -0.13 0.00 -0.45 0.00 0.43 0.00 0.00 57.03 56.88 1m4p h ASP 137 Cb 1.26 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 40.04 1m4p h ASP 137 CO 0.01 0.22 -0.29 -1.61 -1.57 0.00 0.00 179.24 175.99 1m4p s GLU 138 N -1.24 3.22 -0.33 3.56 8.01 -1.25 -5.04 118.70 125.61 1m4p s GLU 138 Ca -0.00 -0.77 -0.29 0.00 0.01 0.00 0.00 54.97 53.92 1m4p s GLU 138 Cb 0.00 -2.76 0.00 0.00 -4.31 0.00 0.00 34.13 27.06 1m4p s GLU 138 CO 0.00 0.08 1.37 -1.25 0.01 0.00 0.00 175.26 175.48 1m4p s PRO 139 N -4.23 3.78 0.27 0.39 0.04 -1.26 -4.63 135.00 129.36 1m4p s PRO 139 Ca 0.43 1.17 0.13 0.00 0.04 0.00 0.00 61.00 62.76 1m4p s PRO 139 Cb -0.10 -3.94 0.29 0.00 0.04 0.00 0.00 34.50 30.79 1m4p s PRO 139 CO 0.33 -1.29 1.55 -1.00 0.04 0.00 0.00 177.00 176.62 1m4p h PRO 140 N 9.91 0.00 0.00 0.56 0.13 -1.90 -3.41 132.00 137.30 1m4p h PRO 140 Ca -0.27 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.72 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 0.62 -0.08 1.55 -0.23 0.00 0.00 178.00 180.90 1m4p n VAL 141 N -3.55 0.00 -1.72 1.56 3.14 -1.26 -4.26 118.33 112.24 1m4p n VAL 141 Ca -0.00 -0.90 -0.43 0.00 -2.96 0.00 0.00 64.34 60.05 1m4p n VAL 141 Cb 0.67 1.20 -0.02 0.00 -1.06 0.00 0.00 33.84 34.63 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 0.52 2.70 -2.90 1.45 -1.74 -1.16 -4.30 117.46 112.02 1m4p n PHE 142 Ca -0.02 0.20 -0.20 0.00 -0.56 0.00 0.00 57.45 56.87 1m4p n PHE 142 Cb 0.74 -2.60 0.06 0.00 1.52 0.00 0.00 39.48 39.19 1m4p n PHE 142 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 1m4p s SER 143 N 0.73 5.07 0.41 5.98 0.15 -1.26 -3.16 113.70 121.62 1m4p s SER 143 Ca 0.69 -0.59 -0.07 0.00 0.70 0.00 0.00 55.95 56.69 1m4p s SER 143 Cb -0.53 -0.06 -0.05 0.00 -1.71 0.00 0.00 66.02 63.66 1m4p s SER 143 CO 0.42 -1.32 0.73 0.00 1.20 0.00 0.00 173.24 174.27 1m4p s ARG 144 N -4.71 3.65 0.00 5.44 1.70 -1.26 -4.95 118.95 118.82 1m4p s ARG 144 Ca 0.61 0.24 0.24 0.00 -0.47 0.00 0.00 55.73 56.35 1m4p s ARG 144 Cb -0.07 -2.45 1.43 0.00 -0.57 0.00 0.00 34.95 33.30 1m4p s ARG 144 CO 0.39 -0.05 1.80 -0.35 -1.08 0.00 0.00 175.30 176.01