#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 0.97 0.64 0.00 0.31 -1.26 -4.44 118.33 114.55 1m4p n VAL 3 Ca 0.00 -0.44 0.13 0.00 -0.01 0.00 0.00 64.34 64.02 1m4p n VAL 3 Cb 0.00 -0.97 0.30 0.00 -0.91 0.00 0.00 33.84 32.26 1m4p n VAL 3 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1m4p n SER 4 N -2.85 0.71 -0.50 4.52 2.88 -1.26 -3.96 113.62 113.15 1m4p n SER 4 Ca -0.28 0.32 0.40 0.00 -1.33 0.00 0.00 58.87 57.98 1m4p n SER 4 Cb 0.86 -0.28 0.65 0.00 -0.75 0.00 0.00 64.21 64.69 1m4p n SER 4 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1m4p n GLU 5 N -2.12 -0.02 0.23 -1.46 0.28 -1.26 0.16 120.64 116.46 1m4p n GLU 5 Ca 0.05 1.04 -0.14 0.00 -0.16 0.00 0.00 57.16 57.94 1m4p n GLU 5 Cb 0.43 -2.18 -0.08 0.00 1.43 0.00 0.00 31.44 31.03 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 -0.51 0.45 -1.84 0.02 -1.89 -2.68 113.55 107.09 1m4p h SER 6 Ca 0.80 -0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.65 1m4p h SER 6 Cb 2.84 0.13 -0.00 0.00 0.14 0.00 0.00 62.40 65.51 1m4p h SER 6 CO -0.25 -0.18 -0.05 -0.61 -1.14 0.00 0.00 176.83 174.61 1m4p h GLN 7 N -0.87 0.00 0.80 3.45 5.75 0.13 -2.86 115.11 121.51 1m4p h GLN 7 Ca -0.06 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.40 1m4p h GLN 7 Cb 0.57 0.00 0.01 0.00 1.07 0.00 0.00 27.48 29.13 1m4p h GLN 7 CO 0.10 0.05 -0.38 1.25 -2.65 0.00 0.00 178.83 177.20 1m4p h LEU 8 N 0.00 -0.91 -2.04 -2.39 5.85 -0.09 1.21 115.31 116.93 1m4p h LEU 8 Ca -0.00 0.02 0.12 0.00 0.84 0.00 0.00 57.88 58.86 1m4p h LEU 8 Cb 0.28 0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 1m4p h LEU 8 CO 0.01 -0.62 0.35 0.50 -0.34 0.00 0.00 178.44 178.34 1m4p h LYS 9 N -1.13 0.00 0.00 1.25 3.11 -1.26 1.15 116.57 119.70 1m4p h LYS 9 Ca -0.11 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.71 1m4p h LYS 9 Cb 0.83 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.06 1m4p h LYS 9 CO 0.18 0.00 -0.58 0.87 -2.81 0.00 0.00 179.45 177.11 1m4p h LYS 10 N 0.00 0.00 0.00 1.90 1.57 -1.23 -3.19 116.57 115.62 1m4p h LYS 10 Ca 0.20 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.77 1m4p h LYS 10 Cb 0.90 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.18 1m4p h LYS 10 CO -0.00 0.05 -1.05 0.52 -0.57 0.00 0.00 179.45 178.40 1m4p h MET 11 N 0.00 0.00 0.00 3.15 2.86 1.02 -3.43 114.93 118.53 1m4p h MET 11 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1m4p h MET 11 Cb 1.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.72 1m4p h MET 11 CO 0.01 0.85 0.00 1.33 1.06 0.00 0.00 176.91 180.16 1m4p n VAL 12 N -3.28 0.00 -1.48 -2.22 0.24 0.50 -4.83 118.33 107.26 1m4p n VAL 12 Ca -0.02 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.15 1m4p n VAL 12 Cb 0.93 -0.02 -0.05 0.00 -1.47 0.00 0.00 33.84 33.23 1m4p n VAL 12 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1m4p n SER 13 N 0.00 -3.38 -0.01 -1.34 7.64 -1.21 -4.65 113.62 110.67 1m4p n SER 13 Ca 0.00 0.30 -0.02 0.00 1.01 0.00 0.00 58.87 60.16 1m4p n SER 13 Cb 0.00 -3.15 -0.01 0.00 -1.01 0.00 0.00 64.21 60.04 1m4p n SER 13 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1m4p n LYS 14 N -1.94 0.06 -1.59 1.43 4.76 -1.26 -5.05 118.16 114.58 1m4p n LYS 14 Ca -0.13 0.02 -0.40 0.00 -2.87 0.00 0.00 58.31 54.93 1m4p n LYS 14 Cb 0.43 -0.98 0.02 0.00 -1.84 0.00 0.00 35.03 32.67 1m4p n LYS 14 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1m4p n TYR 15 N -2.66 0.85 -0.05 2.13 4.02 -1.26 -4.88 117.16 115.31 1m4p n TYR 15 Ca -0.05 0.52 -0.11 0.00 -0.01 0.00 0.00 57.90 58.25 1m4p n TYR 15 Cb 0.55 -2.17 -0.05 0.00 -0.02 0.00 0.00 39.34 37.64 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 1.15 -0.41 -2.41 -0.72 3.64 -1.95 -2.95 116.57 112.93 1m4p h LYS 16 Ca -0.45 0.03 -0.68 0.00 -1.27 0.00 0.00 60.65 58.28 1m4p h LYS 16 Cb 1.35 0.09 -0.37 0.00 -0.41 0.00 0.00 32.23 32.90 1m4p h LYS 16 CO 0.54 -0.27 -0.06 0.66 -2.27 0.00 0.00 179.45 178.06 1m4p n TYR 17 N -5.43 3.26 -0.24 1.91 4.02 -1.26 -4.87 117.16 114.54 1m4p n TYR 17 Ca -0.03 -3.53 0.05 0.00 -0.01 0.00 0.00 57.90 54.38 1m4p n TYR 17 Cb 0.35 -0.80 0.17 0.00 -0.02 0.00 0.00 39.34 39.05 1m4p n TYR 17 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 1m4p h ARG 18 N 4.29 0.23 -0.18 -0.72 2.43 -1.88 0.69 114.38 119.23 1m4p h ARG 18 Ca 0.22 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.42 1m4p h ARG 18 Cb 0.58 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.04 1m4p h ARG 18 CO 1.01 0.15 -0.08 0.38 -1.51 0.00 0.00 179.97 179.92 1m4p h ASP 19 N 0.23 -0.26 -0.37 -3.80 2.03 -1.90 0.77 116.42 113.12 1m4p h ASP 19 Ca 0.41 0.07 -0.03 0.00 -0.73 0.00 0.00 57.03 56.75 1m4p h ASP 19 Cb 0.70 0.15 -0.02 0.00 -0.83 0.00 0.00 39.33 39.33 1m4p h ASP 19 CO -0.53 -0.10 0.14 -0.07 -1.03 0.00 0.00 179.24 177.65 1m4p h LEU 20 N -0.05 0.57 0.41 0.15 4.07 -1.25 -0.69 115.31 118.52 1m4p h LEU 20 Ca 0.10 -0.07 -0.02 0.00 0.08 0.00 0.00 57.88 57.97 1m4p h LEU 20 Cb 0.20 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 41.80 1m4p h LEU 20 CO -0.22 0.54 -0.20 0.74 -1.08 0.00 0.00 178.44 178.22 1m4p h THR 21 N 0.62 0.52 -0.64 0.22 2.02 0.20 0.18 112.91 116.03 1m4p h THR 21 Ca 0.15 -0.48 0.11 0.00 0.77 0.00 0.00 66.41 66.96 1m4p h THR 21 Cb 0.17 0.72 -0.08 0.00 -1.74 0.00 0.00 68.15 67.22 1m4p h THR 21 CO -0.01 0.08 0.19 0.58 0.37 0.00 0.00 175.52 176.73 1m4p h VAL 22 N -0.86 0.68 -0.70 3.16 2.07 0.68 1.54 116.25 122.81 1m4p h VAL 22 Ca -0.06 -0.12 0.01 0.00 0.82 0.00 0.00 66.70 67.35 1m4p h VAL 22 Cb 0.55 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 1m4p h VAL 22 CO 0.09 0.06 0.46 -0.09 0.02 0.00 0.00 177.57 178.12 1m4p h ARG 23 N 0.34 0.93 -0.00 1.57 9.65 -1.06 0.93 114.38 126.74 1m4p h ARG 23 Ca 0.34 -0.06 -0.13 0.00 -1.10 0.00 0.00 59.98 59.02 1m4p h ARG 23 Cb 0.48 -0.21 -0.02 0.00 -1.39 0.00 0.00 29.97 28.83 1m4p h ARG 23 CO -0.38 0.63 -0.63 0.93 2.80 0.00 0.00 179.97 183.32 1m4p h GLU 24 N 0.96 0.01 0.07 0.20 3.07 0.12 0.20 114.58 119.20 1m4p h GLU 24 Ca 0.26 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 59.10 1m4p h GLU 24 Cb -0.10 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.81 1m4p h GLU 24 CO -0.05 0.64 -0.03 1.15 -1.40 0.00 0.00 179.01 179.31 1m4p h THR 25 N 0.01 1.19 -0.43 1.13 2.02 0.30 -2.55 112.91 114.58 1m4p h THR 25 Ca -0.01 -1.49 -0.04 0.00 0.77 0.00 0.00 66.41 65.65 1m4p h THR 25 Cb 1.11 2.08 -0.02 0.00 -1.74 0.00 0.00 68.15 69.58 1m4p h THR 25 CO 0.08 0.34 0.11 -0.37 0.37 0.00 0.00 175.52 176.05 1m4p h VAL 26 N -0.83 1.19 -0.26 3.16 -1.51 0.82 -2.25 116.25 116.56 1m4p h VAL 26 Ca -0.01 -0.66 0.01 0.00 -1.23 0.00 0.00 66.70 64.81 1m4p h VAL 26 Cb 0.62 0.75 -0.02 0.00 -2.13 0.00 0.00 31.29 30.51 1m4p h VAL 26 CO 0.02 0.24 0.15 0.78 -1.23 0.00 0.00 177.57 177.52 1m4p h ASN 27 N 0.62 0.23 0.15 4.19 4.21 -1.00 0.78 115.58 124.77 1m4p h ASN 27 Ca 0.14 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.65 1m4p h ASN 27 Cb 0.22 -0.04 -0.01 0.00 -1.12 0.00 0.00 38.32 37.37 1m4p h ASN 27 CO -0.00 0.17 -0.14 0.58 -1.29 0.00 0.00 177.43 176.75 1m4p h VAL 28 N 0.31 0.00 -0.53 2.81 2.07 -0.98 0.16 116.25 120.10 1m4p h VAL 28 Ca 0.10 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.78 1m4p h VAL 28 Cb 0.01 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.75 1m4p h VAL 28 CO -0.05 0.00 0.45 0.16 0.02 0.00 0.00 177.57 178.15 1m4p h ILE 29 N -0.29 0.52 0.00 4.57 3.07 -1.39 1.38 117.51 125.37 1m4p h ILE 29 Ca -0.02 0.00 -0.00 0.00 1.55 0.00 0.00 64.86 66.39 1m4p h ILE 29 Cb 0.25 0.66 -0.00 0.00 -0.27 0.00 0.00 36.82 37.46 1m4p h ILE 29 CO -0.01 0.00 -0.01 0.74 -1.05 0.00 0.00 178.15 177.82 1m4p h THR 30 N 0.00 0.03 0.02 0.16 2.02 0.18 1.24 112.91 116.57 1m4p h THR 30 Ca 0.25 -0.65 -0.29 0.00 0.77 0.00 0.00 66.41 66.50 1m4p h THR 30 Cb 1.15 1.63 -0.04 0.00 -1.74 0.00 0.00 68.15 69.15 1m4p h THR 30 CO -0.00 0.01 -1.57 -0.11 0.37 0.00 0.00 175.52 174.22 1m4p n LEU 31 N -3.11 2.04 -0.07 2.58 7.94 0.45 -4.71 117.00 122.13 1m4p n LEU 31 Ca 0.01 0.36 -0.05 0.00 -1.11 0.00 0.00 56.01 55.23 1m4p n LEU 31 Cb 0.36 -0.98 -0.02 0.00 0.53 0.00 0.00 43.42 43.31 1m4p n LEU 31 CO 0.29 0.43 -0.34 -1.22 -1.11 0.00 0.00 177.39 175.44 1m4p n TYR 32 N -4.21 0.91 -0.70 1.96 4.01 -0.06 -4.98 117.16 114.09 1m4p n TYR 32 Ca -0.35 0.39 0.00 0.00 -0.16 0.00 0.00 57.90 57.79 1m4p n TYR 32 Cb 0.78 -0.76 0.00 0.00 -0.31 0.00 0.00 39.34 39.05 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 -4.56 0.00 -0.02 -0.72 4.81 0.43 -4.84 118.16 113.26 1m4p n LYS 33 Ca -0.07 0.00 0.02 0.00 -0.87 0.00 0.00 58.31 57.39 1m4p n LYS 33 Cb 0.26 -1.93 -0.07 0.00 0.02 0.00 0.00 35.03 33.30 1m4p n LYS 33 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1m4p n ASP 34 N 0.00 2.76 -4.72 3.14 9.92 -1.26 -4.97 116.55 121.42 1m4p n ASP 34 Ca 0.00 0.00 -0.42 0.00 -0.53 0.00 0.00 54.79 53.84 1m4p n ASP 34 Cb 0.00 1.21 -0.03 0.00 -0.64 0.00 0.00 41.12 41.66 1m4p n ASP 34 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1m4p s LEU 35 N -4.01 4.39 -0.18 0.64 2.96 -1.26 -3.43 118.68 117.80 1m4p s LEU 35 Ca -0.04 1.94 -0.02 0.00 -0.22 0.00 0.00 54.13 55.79 1m4p s LEU 35 Cb 0.05 -3.58 -0.01 0.00 0.50 0.00 0.00 46.19 43.15 1m4p s LEU 35 CO 0.40 -0.37 -0.08 -0.75 -1.32 0.00 0.00 176.35 174.22 1m4p s LYS 36 N 0.78 3.38 -0.04 1.98 2.20 -0.47 -4.73 119.74 122.84 1m4p s LYS 36 Ca 0.55 -0.65 -0.30 0.00 -0.36 0.00 0.00 55.97 55.21 1m4p s LYS 36 Cb -0.27 -2.83 -0.04 0.00 -1.51 0.00 0.00 37.83 33.18 1m4p s LYS 36 CO 0.30 -0.01 1.22 -1.25 -0.36 0.00 0.00 175.35 175.25 1m4p s PRO 37 N 0.95 4.35 0.23 4.03 0.04 -1.26 0.13 135.00 143.46 1m4p s PRO 37 Ca -0.01 1.71 0.10 0.00 0.04 0.00 0.00 61.00 62.84 1m4p s PRO 37 Cb -0.15 -3.55 -0.04 0.00 0.04 0.00 0.00 34.50 30.80 1m4p s PRO 37 CO -0.00 -0.45 -0.14 0.54 0.04 0.00 0.00 177.00 176.99 1m4p s VAL 38 N 2.16 2.86 -0.05 -0.36 0.11 0.15 -4.92 120.40 120.35 1m4p s VAL 38 Ca 0.57 -2.00 0.03 0.00 -2.93 0.00 0.00 61.98 57.64 1m4p s VAL 38 Cb -0.26 -2.45 -0.03 0.00 -1.53 0.00 0.00 36.38 32.11 1m4p s VAL 38 CO 0.23 -0.25 -0.11 -0.22 -3.33 0.00 0.00 175.10 171.42 1m4p s LEU 39 N -3.15 2.92 0.05 2.54 1.98 -1.26 -1.13 118.68 120.62 1m4p s LEU 39 Ca 0.27 -0.14 -0.02 0.00 -2.89 0.00 0.00 54.13 51.34 1m4p s LEU 39 Cb -0.07 -1.63 -0.03 0.00 0.66 0.00 0.00 46.19 45.12 1m4p s LEU 39 CO 0.15 0.34 0.01 1.51 -1.89 0.00 0.00 176.35 176.47 1m4p s ASP 40 N -0.86 0.40 -0.03 3.68 -4.77 -0.86 -4.91 116.67 109.33 1m4p s ASP 40 Ca 0.12 -0.88 -0.01 0.00 -3.30 0.00 0.00 52.55 48.49 1m4p s ASP 40 Cb -0.11 0.21 0.02 0.00 -1.09 0.00 0.00 42.92 41.96 1m4p s ASP 40 CO 0.02 -0.58 0.06 -0.94 0.70 0.00 0.00 175.17 174.42 1m4p s SER 41 N -2.72 -0.00 0.01 2.11 1.04 -1.26 -1.90 113.70 110.98 1m4p s SER 41 Ca 0.04 0.11 -0.14 0.00 0.48 0.00 0.00 55.95 56.43 1m4p s SER 41 Cb 0.05 0.03 0.02 0.00 0.10 0.00 0.00 66.02 66.23 1m4p s SER 41 CO -0.09 -0.10 0.31 -0.47 0.98 0.00 0.00 173.24 173.87 1m4p s TYR 42 N 0.77 -0.15 0.33 5.02 6.14 -0.55 -4.89 117.35 124.02 1m4p s TYR 42 Ca -0.06 0.14 -0.22 0.00 0.64 0.00 0.00 57.07 57.57 1m4p s TYR 42 Cb -0.09 0.10 -0.10 0.00 0.42 0.00 0.00 41.96 42.29 1m4p s TYR 42 CO -0.03 -0.44 0.87 0.14 0.64 0.00 0.00 175.55 176.73 1m4p s VAL 43 N -1.89 4.39 0.25 3.14 -7.23 -1.26 0.13 120.40 117.94 1m4p s VAL 43 Ca -0.10 1.51 0.00 0.00 -1.81 0.00 0.00 61.98 61.58 1m4p s VAL 43 Cb -0.03 -3.81 0.00 0.00 0.56 0.00 0.00 36.38 33.10 1m4p s VAL 43 CO 0.01 -0.02 0.00 0.49 -0.31 0.00 0.00 175.10 175.27 1m4p n PHE 44 N 0.14 -2.83 -1.53 2.82 3.72 -0.06 -4.70 117.46 115.02 1m4p n PHE 44 Ca 0.03 0.68 -0.27 0.00 -0.05 0.00 0.00 57.45 57.84 1m4p n PHE 44 Cb 0.52 1.71 -0.12 0.00 -0.94 0.00 0.00 39.48 40.65 1m4p n PHE 44 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1m4p n ASN 45 N -3.12 0.81 -2.14 4.37 5.15 -1.23 -1.28 115.26 117.83 1m4p n ASN 45 Ca 0.00 -0.64 -0.05 0.00 -0.60 0.00 0.00 54.58 53.29 1m4p n ASN 45 Cb 0.00 -1.21 -0.01 0.00 -0.53 0.00 0.00 39.78 38.04 1m4p n ASN 45 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1m4p n ASP 46 N 13.01 -1.94 -0.48 1.20 -0.08 -1.26 -0.28 116.55 126.73 1m4p n ASP 46 Ca 0.54 0.31 0.00 0.00 -1.51 0.00 0.00 54.79 54.13 1m4p n ASP 46 Cb 0.30 -1.82 0.00 0.00 2.34 0.00 0.00 41.12 41.94 1m4p n ASP 46 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1m4p n GLY 47 N -0.49 0.49 3.06 0.27 0.00 -0.40 -5.10 105.19 103.02 1m4p n GLY 47 Ca -0.06 -0.24 -0.29 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.95 2.50 0.41 1.61 0.15 0.62 -4.74 113.70 112.30 1m4p s SER 48 Ca 0.00 -0.44 -0.21 0.00 0.70 0.00 0.00 55.95 55.99 1m4p s SER 48 Cb 0.00 -1.12 -0.15 0.00 -1.71 0.00 0.00 66.02 63.05 1m4p s SER 48 CO 0.00 0.01 0.22 -0.24 1.20 0.00 0.00 173.24 174.42 1m4p n SER 49 N 4.28 -2.32 -3.80 5.45 2.88 -1.26 -0.88 113.62 117.96 1m4p n SER 49 Ca -0.19 0.83 -0.13 0.00 -1.33 0.00 0.00 58.87 58.06 1m4p n SER 49 Cb 0.51 -0.95 -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 -1.18 0.23 -0.61 -1.46 3.52 0.35 -4.74 118.95 115.06 1m4p s ARG 50 Ca 0.61 0.28 -0.22 0.00 -0.13 0.00 0.00 55.73 56.26 1m4p s ARG 50 Cb -0.63 0.11 0.06 0.00 -1.56 0.00 0.00 34.95 32.93 1m4p s ARG 50 CO 0.61 -0.03 0.90 -2.00 -0.81 0.00 0.00 175.30 173.97 1m4p s GLU 51 N 0.13 3.17 -0.12 5.12 2.56 -1.26 -1.48 118.70 126.81 1m4p s GLU 51 Ca -0.00 -0.71 0.01 0.00 0.00 0.00 0.00 54.97 54.27 1m4p s GLU 51 Cb -0.02 -4.17 -0.01 0.00 2.00 0.00 0.00 34.13 31.94 1m4p s GLU 51 CO 0.00 -1.63 -0.17 -1.17 -0.56 0.00 0.00 175.26 171.73 1m4p s LEU 52 N 3.76 2.48 0.11 2.70 0.20 -0.80 -4.85 118.68 122.29 1m4p s LEU 52 Ca 0.23 -0.42 -0.19 0.00 0.69 0.00 0.00 54.13 54.44 1m4p s LEU 52 Cb -0.16 -1.54 -0.07 0.00 -0.43 0.00 0.00 46.19 43.99 1m4p s LEU 52 CO 0.13 0.15 0.60 -0.32 -0.29 0.00 0.00 176.35 176.62 1m4p s MET 53 N 0.40 4.20 0.18 1.98 1.75 -1.26 -2.03 119.30 124.51 1m4p s MET 53 Ca -0.13 0.74 0.01 0.00 -1.25 0.00 0.00 55.69 55.07 1m4p s MET 53 Cb -0.17 -3.14 -0.05 0.00 2.84 0.00 0.00 34.83 34.32 1m4p s MET 53 CO 0.06 0.58 0.03 0.54 -0.65 0.00 0.00 175.02 175.58 1m4p s ASN 54 N -1.29 1.06 0.25 1.11 4.22 -0.29 -0.25 114.94 119.75 1m4p s ASN 54 Ca 0.33 -1.21 0.11 0.00 -2.14 0.00 0.00 52.86 49.95 1m4p s ASN 54 Cb -0.19 0.16 -0.05 0.00 1.28 0.00 0.00 41.25 42.45 1m4p s ASN 54 CO 0.20 -0.62 -0.21 -0.76 -2.04 0.00 0.00 177.10 173.67 1m4p s LEU 55 N -3.18 2.54 -0.29 3.54 1.43 0.02 0.33 118.68 123.07 1m4p s LEU 55 Ca 0.26 -0.98 -0.16 0.00 -1.03 0.00 0.00 54.13 52.23 1m4p s LEU 55 Cb 0.07 -1.08 0.16 0.00 0.03 0.00 0.00 46.19 45.36 1m4p s LEU 55 CO 0.05 0.05 1.01 0.28 0.23 0.00 0.00 176.35 177.97 1m4p s THR 56 N -2.29 -0.14 0.02 5.49 -1.32 0.12 -2.16 115.64 115.36 1m4p s THR 56 Ca 0.26 0.00 -0.18 0.00 -1.21 0.00 0.00 61.69 60.57 1m4p s THR 56 Cb -0.06 -1.00 0.06 0.00 -1.51 0.00 0.00 72.50 69.99 1m4p s THR 56 CO 0.13 0.00 0.82 0.61 -2.21 0.00 0.00 174.62 173.97 1m4p n GLY 57 N 4.03 0.48 3.15 6.08 0.00 -1.07 -1.37 105.19 116.49 1m4p n GLY 57 Ca -0.16 -1.00 -0.38 0.00 0.00 0.00 0.00 46.02 44.48 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 -2.10 3.62 0.35 2.61 -4.23 -1.22 -0.44 115.64 114.21 1m4p s THR 58 Ca 0.19 -2.03 -0.27 0.00 -1.18 0.00 0.00 61.69 58.40 1m4p s THR 58 Cb -0.01 -3.44 -0.09 0.00 1.34 0.00 0.00 72.50 70.30 1m4p s THR 58 CO 0.01 -0.73 1.09 0.27 -0.54 0.00 0.00 174.62 174.72 1m4p s ILE 59 N 1.13 3.52 -0.47 2.99 -4.36 0.20 -4.56 121.20 119.64 1m4p s ILE 59 Ca 0.08 1.34 -0.28 0.00 -0.26 0.00 0.00 60.65 61.53 1m4p s ILE 59 Cb -0.24 -3.78 0.01 0.00 1.25 0.00 0.00 42.46 39.70 1m4p s ILE 59 CO -0.03 0.18 1.44 -2.16 0.24 0.00 0.00 174.94 174.60 1m4p s PRO 60 N -1.99 3.44 -0.22 0.37 0.04 -1.26 -0.59 135.00 134.79 1m4p s PRO 60 Ca 0.52 0.76 -0.16 0.00 0.04 0.00 0.00 61.00 62.16 1m4p s PRO 60 Cb -0.28 -4.08 -0.04 0.00 0.04 0.00 0.00 34.50 30.15 1m4p s PRO 60 CO 0.36 -1.75 0.41 0.08 0.04 0.00 0.00 177.00 176.14 1m4p s VAL 61 N 5.81 5.18 0.49 -0.36 1.01 -0.36 -4.87 120.40 127.30 1m4p s VAL 61 Ca 0.59 0.70 -0.20 0.00 0.00 0.00 0.00 61.98 63.07 1m4p s VAL 61 Cb -0.13 -3.74 -0.08 0.00 0.00 0.00 0.00 36.38 32.43 1m4p s VAL 61 CO 0.30 0.21 1.04 -2.16 0.00 0.00 0.00 175.10 174.49 1m4p s PRO 62 N 1.57 3.80 0.00 2.72 0.04 -1.26 0.77 135.00 142.64 1m4p s PRO 62 Ca 0.19 1.35 0.00 0.00 0.04 0.00 0.00 61.00 62.58 1m4p s PRO 62 Cb -0.15 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.30 1m4p s PRO 62 CO 0.08 -0.43 0.00 0.98 0.04 0.00 0.00 177.00 177.67 1m4p n TYR 63 N -0.99 0.00 0.48 0.56 9.36 0.46 -4.78 117.16 122.25 1m4p n TYR 63 Ca 0.09 0.00 0.10 0.00 3.32 0.00 0.00 57.90 61.41 1m4p n TYR 63 Cb 0.53 0.00 0.27 0.00 -0.63 0.00 0.00 39.34 39.50 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 2.23 0.00 2.98 0.63 -1.26 -4.52 116.66 116.72 1m4p n ARG 64 Ca 0.00 -1.89 0.00 0.00 -0.92 0.00 0.00 57.85 55.04 1m4p n ARG 64 Cb 0.00 -1.45 0.00 0.00 0.45 0.00 0.00 32.46 31.46 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 1.37 0.00 0.00 5.14 0.00 -1.26 -5.16 105.19 105.27 1m4p n GLY 65 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1m4p n GLY 65 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1m4p n ASN 66 N 0.00 0.00 -3.78 1.61 0.23 -1.26 -5.13 115.26 106.93 1m4p n ASN 66 Ca 0.00 0.00 -0.23 0.00 -0.53 0.00 0.00 54.58 53.82 1m4p n ASN 66 Cb 0.00 0.00 -0.17 0.00 -2.08 0.00 0.00 39.78 37.53 1m4p n ASN 66 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1m4p s THR 67 N -1.98 0.39 0.00 5.53 2.01 -1.26 0.17 115.64 120.50 1m4p s THR 67 Ca 0.00 0.11 0.00 0.00 0.31 0.00 0.00 61.69 62.11 1m4p s THR 67 Cb 0.00 -0.54 0.00 0.00 0.01 0.00 0.00 72.50 71.97 1m4p s THR 67 CO 0.00 0.26 0.00 -1.22 -0.69 0.00 0.00 174.62 172.97 1m4p n TYR 68 N 5.09 -2.91 -3.89 4.92 4.02 0.23 -4.78 117.16 119.84 1m4p n TYR 68 Ca -0.08 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.51 1m4p n TYR 68 Cb 0.50 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.66 1m4p n TYR 68 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 1m4p s ASN 69 N -1.00 3.77 -0.17 7.72 0.01 -1.26 -1.22 114.94 122.79 1m4p s ASN 69 Ca 0.00 -1.23 -0.05 0.00 -0.71 0.00 0.00 52.86 50.87 1m4p s ASN 69 Cb 0.00 -1.08 -0.03 0.00 0.41 0.00 0.00 41.25 40.55 1m4p s ASN 69 CO 0.00 -0.28 -0.00 -0.51 -1.51 0.00 0.00 177.10 174.80 1m4p s ILE 70 N 1.46 4.13 0.78 0.60 1.10 0.24 -4.88 121.20 124.64 1m4p s ILE 70 Ca -0.02 -0.27 -0.11 0.00 -0.51 0.00 0.00 60.65 59.74 1m4p s ILE 70 Cb -0.18 -2.84 0.06 0.00 0.15 0.00 0.00 42.46 39.65 1m4p s ILE 70 CO -0.09 0.47 1.09 -2.16 -2.11 0.00 0.00 174.94 172.15 1m4p s PRO 71 N 0.52 2.21 0.18 3.50 0.04 -1.26 0.61 135.00 140.81 1m4p s PRO 71 Ca -0.01 0.68 -0.24 0.00 0.04 0.00 0.00 61.00 61.47 1m4p s PRO 71 Cb -0.14 -1.93 0.05 0.00 0.04 0.00 0.00 34.50 32.52 1m4p s PRO 71 CO 0.02 -1.54 0.81 0.42 0.04 0.00 0.00 177.00 176.74 1m4p s ILE 72 N -3.14 0.00 -0.16 0.56 1.01 0.41 -3.90 121.20 115.98 1m4p s ILE 72 Ca 0.60 -0.61 -0.28 0.00 0.00 0.00 0.00 60.65 60.36 1m4p s ILE 72 Cb -0.14 -1.73 0.08 0.00 0.01 0.00 0.00 42.46 40.68 1m4p s ILE 72 CO 0.54 0.00 0.76 0.00 0.00 0.00 0.00 174.94 176.25 1m4p s LEU 74 N -0.53 -0.48 0.14 0.00 2.34 -0.92 -1.60 118.68 117.62 1m4p s LEU 74 Ca -0.05 0.20 0.02 0.00 0.06 0.00 0.00 54.13 54.36 1m4p s LEU 74 Cb -0.02 2.26 -0.04 0.00 -0.56 0.00 0.00 46.19 47.84 1m4p s LEU 74 CO 0.05 -0.68 0.25 0.26 -1.06 0.00 0.00 176.35 175.17 1m4p s TRP 75 N -2.63 3.44 0.14 3.48 0.52 -0.94 -0.80 118.94 122.16 1m4p s TRP 75 Ca -0.00 0.12 0.08 0.00 0.02 0.00 0.00 56.10 56.32 1m4p s TRP 75 Cb -0.01 -1.66 -0.04 0.00 -1.15 0.00 0.00 33.47 30.61 1m4p s TRP 75 CO -0.05 0.53 -0.12 -1.17 0.02 0.00 0.00 176.95 176.15 1m4p s LEU 76 N -3.11 2.91 0.00 2.99 2.96 0.65 -4.26 118.68 120.83 1m4p s LEU 76 Ca 0.34 -0.52 0.00 0.00 -0.22 0.00 0.00 54.13 53.74 1m4p s LEU 76 Cb -0.11 -1.68 0.01 0.00 0.50 0.00 0.00 46.19 44.91 1m4p s LEU 76 CO 0.28 0.15 0.07 0.18 -1.32 0.00 0.00 176.35 175.71 1m4p n LEU 77 N 0.46 0.00 -0.50 -0.68 4.77 -1.26 -4.39 117.00 115.39 1m4p n LEU 77 Ca -0.13 -0.18 0.00 0.00 -0.03 0.00 0.00 56.01 55.67 1m4p n LEU 77 Cb 0.54 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 1m4p n LEU 77 CO 0.33 -0.53 0.25 -0.90 -1.33 0.00 0.00 177.39 175.21 1m4p n ASP 78 N -2.97 0.00 -0.21 -1.43 5.68 -1.26 -4.77 116.55 111.58 1m4p n ASP 78 Ca 0.01 -1.98 0.01 0.00 -0.50 0.00 0.00 54.79 52.33 1m4p n ASP 78 Cb 0.05 -0.20 0.01 0.00 -1.14 0.00 0.00 41.12 39.84 1m4p n ASP 78 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.20 176.28 1m4p n THR 79 N 0.00 0.23 -0.97 2.12 -1.04 -1.26 -3.58 114.28 109.78 1m4p n THR 79 Ca 0.00 -0.26 -0.36 0.00 -2.04 0.00 0.00 64.05 61.39 1m4p n THR 79 Cb 0.70 0.66 0.05 0.00 -1.82 0.00 0.00 70.33 69.91 1m4p n THR 79 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1m4p n TYR 80 N -0.15 -3.89 -2.47 -1.42 4.11 -1.26 -4.57 117.16 107.52 1m4p n TYR 80 Ca 0.01 0.16 -0.42 0.00 -0.00 0.00 0.00 57.90 57.65 1m4p n TYR 80 Cb 0.57 -1.45 -0.03 0.00 -0.00 0.00 0.00 39.34 38.43 1m4p n TYR 80 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.86 175.61 1m4p s PRO 81 N -2.18 4.47 0.15 -3.48 0.04 -1.26 -5.05 135.00 127.69 1m4p s PRO 81 Ca 0.41 1.73 0.00 0.00 0.04 0.00 0.00 61.00 63.18 1m4p s PRO 81 Cb -0.11 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 31.08 1m4p s PRO 81 CO 0.77 -0.18 0.00 0.66 0.04 0.00 0.00 177.00 178.30 1m4p n TYR 82 N 3.62 -2.73 -1.71 0.56 4.01 -1.26 -5.02 117.16 114.62 1m4p n TYR 82 Ca 0.07 0.51 0.00 0.00 -0.16 0.00 0.00 57.90 58.32 1m4p n TYR 82 Cb 0.47 1.52 0.00 0.00 -0.31 0.00 0.00 39.34 41.02 1m4p n TYR 82 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1m4p n ASN 83 N -2.88 -9.01 -4.80 7.72 3.02 -1.26 -4.91 115.26 103.14 1m4p n ASN 83 Ca 0.00 1.29 -0.34 0.00 -0.03 0.00 0.00 54.58 55.50 1m4p n ASN 83 Cb 0.00 -4.90 -0.03 0.00 -0.61 0.00 0.00 39.78 34.25 1m4p n ASN 83 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1m4p s PRO 84 N -2.98 3.74 -0.75 3.52 0.04 -1.26 -4.90 135.00 132.41 1m4p s PRO 84 Ca 0.00 1.33 -0.06 0.00 0.04 0.00 0.00 61.00 62.31 1m4p s PRO 84 Cb 0.00 -2.09 -0.12 0.00 0.04 0.00 0.00 34.50 32.33 1m4p s PRO 84 CO 0.00 -0.48 2.63 -0.35 0.04 0.00 0.00 177.00 178.84 1m4p n PRO 85 N -1.13 2.29 -3.69 0.56 -0.04 -1.26 -4.62 135.00 127.11 1m4p n PRO 85 Ca 0.09 -1.38 -0.29 0.00 -0.04 0.00 0.00 63.50 61.88 1m4p n PRO 85 Cb 0.53 -2.32 -0.12 0.00 -0.04 0.00 0.00 33.50 31.54 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 2.33 1.47 -0.30 0.52 -1.09 -1.26 -5.04 121.20 117.83 1m4p s ILE 86 Ca 0.52 -2.84 -0.00 0.00 -2.23 0.00 0.00 60.65 56.10 1m4p s ILE 86 Cb 0.18 -2.01 0.09 0.00 -1.58 0.00 0.00 42.46 39.14 1m4p s ILE 86 CO -0.03 -0.97 0.08 0.00 -1.23 0.00 0.00 174.94 172.79 1m4p s PHE 88 N 1.54 1.05 0.49 0.00 -0.71 -0.63 -2.23 117.98 117.48 1m4p s PHE 88 Ca 0.08 -1.01 -0.03 0.00 -1.04 0.00 0.00 56.93 54.93 1m4p s PHE 88 Cb -0.18 -0.60 -0.01 0.00 -1.21 0.00 0.00 43.02 41.02 1m4p s PHE 88 CO -0.20 -0.23 0.75 0.54 -1.34 0.00 0.00 175.22 174.73 1m4p s VAL 89 N -3.70 4.20 -0.60 -2.49 0.11 0.51 -0.74 120.40 117.70 1m4p s VAL 89 Ca 0.20 -0.21 0.06 0.00 -2.93 0.00 0.00 61.98 59.09 1m4p s VAL 89 Cb 0.06 -3.59 0.21 0.00 -1.53 0.00 0.00 36.38 31.53 1m4p s VAL 89 CO 0.01 -0.50 0.59 0.29 -3.33 0.00 0.00 175.10 172.15 1m4p n LYS 90 N -2.23 1.77 -1.93 1.54 4.76 -1.25 -4.67 118.16 116.15 1m4p n LYS 90 Ca 0.01 -4.23 -0.32 0.00 -2.87 0.00 0.00 58.31 50.90 1m4p n LYS 90 Cb 0.57 -2.05 0.02 0.00 -1.84 0.00 0.00 35.03 31.73 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 -1.67 3.25 0.00 1.97 0.04 -1.26 -4.53 135.00 132.80 1m4p s PRO 91 Ca 0.34 1.11 0.00 0.00 0.04 0.00 0.00 61.00 62.48 1m4p s PRO 91 Cb 0.08 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.59 1m4p s PRO 91 CO -0.10 -0.85 0.00 0.25 0.04 0.00 0.00 177.00 176.34 1m4p n THR 92 N -2.33 0.00 -0.13 1.26 -2.24 -1.26 -5.01 114.28 104.57 1m4p n THR 92 Ca 0.08 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.69 1m4p n THR 92 Cb 0.53 -0.96 -0.12 0.00 -2.10 0.00 0.00 70.33 67.68 1m4p n THR 92 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1m4p n SER 93 N 0.00 1.92 0.00 3.42 3.41 -1.26 -4.26 113.62 116.85 1m4p n SER 93 Ca 0.00 -0.13 0.13 0.00 -0.26 0.00 0.00 58.87 58.61 1m4p n SER 93 Cb 0.00 -0.33 0.56 0.00 -0.26 0.00 0.00 64.21 64.18 1m4p n SER 93 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1m4p n SER 94 N -3.22 0.00 -3.08 4.04 2.88 -1.26 -4.82 113.62 108.15 1m4p n SER 94 Ca -0.45 0.50 -0.16 0.00 -1.33 0.00 0.00 58.87 57.43 1m4p n SER 94 Cb 0.99 -0.50 0.14 0.00 -0.75 0.00 0.00 64.21 64.09 1m4p n SER 94 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1m4p n MET 95 N -1.50 -2.18 -3.22 -1.46 2.00 -1.26 -4.55 117.12 104.94 1m4p n MET 95 Ca 0.06 -0.96 -0.01 0.00 0.00 0.00 0.00 57.70 56.80 1m4p n MET 95 Cb 0.31 -0.90 -0.03 0.00 0.00 0.00 0.00 33.22 32.60 1m4p n MET 95 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 1m4p s THR 96 N -2.09 -0.85 0.17 2.03 2.01 -1.24 -4.96 115.64 110.72 1m4p s THR 96 Ca 0.39 -0.04 -0.30 0.00 0.31 0.00 0.00 61.69 62.05 1m4p s THR 96 Cb -0.04 -0.94 -0.07 0.00 0.01 0.00 0.00 72.50 71.46 1m4p s THR 96 CO 0.30 -0.06 1.06 -0.51 -0.69 0.00 0.00 174.62 174.72 1m4p s ILE 97 N 2.74 3.98 -0.23 1.82 2.07 -1.26 -2.84 121.20 127.48 1m4p s ILE 97 Ca 0.16 1.72 -0.05 0.00 -1.41 0.00 0.00 60.65 61.07 1m4p s ILE 97 Cb -0.14 -4.10 -0.02 0.00 0.13 0.00 0.00 42.46 38.33 1m4p s ILE 97 CO -0.21 0.30 0.00 -0.75 -1.91 0.00 0.00 174.94 172.38 1m4p s LYS 98 N -0.40 3.51 0.29 3.50 2.36 -1.24 -4.98 119.74 122.79 1m4p s LYS 98 Ca 0.48 -0.56 -0.29 0.00 -2.55 0.00 0.00 55.97 53.05 1m4p s LYS 98 Cb -0.28 -3.13 -0.10 0.00 -1.05 0.00 0.00 37.83 33.27 1m4p s LYS 98 CO 0.34 -0.16 1.13 0.95 1.55 0.00 0.00 175.35 179.17 1m4p s THR 99 N 1.44 3.36 0.00 3.43 -4.23 -1.26 -4.70 115.64 113.68 1m4p s THR 99 Ca 0.05 1.37 0.00 0.00 -1.18 0.00 0.00 61.69 61.93 1m4p s THR 99 Cb -0.15 -3.87 0.00 0.00 1.34 0.00 0.00 72.50 69.82 1m4p s THR 99 CO 0.00 0.33 0.00 0.61 -0.54 0.00 0.00 174.62 175.02 1m4p n GLY 100 N 1.12 2.35 2.34 3.99 0.00 0.43 -4.97 105.19 110.45 1m4p n GLY 100 Ca -0.01 -0.60 -0.23 0.00 0.00 0.00 0.00 46.02 45.18 1m4p n GLY 100 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1m4p n LYS 101 N 0.00 2.27 0.00 1.61 5.02 -1.26 -3.66 118.16 122.14 1m4p n LYS 101 Ca 0.00 -1.99 0.00 0.00 -2.02 0.00 0.00 58.31 54.30 1m4p n LYS 101 Cb 0.00 -2.08 0.00 0.00 -0.02 0.00 0.00 35.03 32.93 1m4p n LYS 101 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1m4p n HIS 102 N 1.21 -0.59 -4.79 2.13 8.25 -1.26 -4.92 115.22 115.25 1m4p n HIS 102 Ca 0.46 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.67 1m4p n HIS 102 Cb 0.63 0.12 -0.16 0.00 1.12 0.00 0.00 29.99 31.70 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 -1.32 1.34 -0.03 1.59 1.01 -1.24 -2.18 120.40 119.57 1m4p s VAL 103 Ca 0.00 -0.69 -0.00 0.00 0.00 0.00 0.00 61.98 61.28 1m4p s VAL 103 Cb 0.00 -1.14 -0.00 0.00 0.00 0.00 0.00 36.38 35.24 1m4p s VAL 103 CO 0.00 0.39 -0.01 -0.78 0.00 0.00 0.00 175.10 174.70 1m4p h ASP 104 N 6.03 0.00 0.00 3.32 3.58 -1.81 0.12 116.42 127.67 1m4p h ASP 104 Ca -0.34 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.11 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 0.48 0.18 0.00 0.00 -2.88 0.00 0.00 179.24 177.02 1m4p n ALA 105 N -2.32 0.00 0.00 -0.78 0.00 -1.26 -4.15 120.51 112.00 1m4p n ALA 105 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1m4p n ALA 105 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.46 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 1.34 0.00 0.00 5.15 -1.26 -5.03 115.26 115.45 1m4p n ASN 106 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1m4p n ASN 106 Cb 0.00 0.09 0.00 0.00 -0.53 0.00 0.00 39.78 39.34 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 1.57 1.23 3.76 8.20 0.00 -1.26 -4.96 105.19 113.73 1m4p n GLY 107 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.07 4.24 0.06 1.61 -2.85 -1.26 0.19 119.74 121.66 1m4p s LYS 108 Ca 0.00 0.54 -0.30 0.00 -1.00 0.00 0.00 55.97 55.20 1m4p s LYS 108 Cb 0.00 -3.35 -0.05 0.00 -2.06 0.00 0.00 37.83 32.36 1m4p s LYS 108 CO 0.00 0.36 1.14 0.42 0.10 0.00 0.00 175.35 177.37 1m4p s ILE 109 N -0.06 4.20 -0.17 3.79 1.01 -0.95 -4.39 121.20 124.63 1m4p s ILE 109 Ca 0.27 1.60 -0.23 0.00 0.00 0.00 0.00 60.65 62.29 1m4p s ILE 109 Cb -0.17 -4.03 -0.23 0.00 0.01 0.00 0.00 42.46 38.05 1m4p s ILE 109 CO 0.13 0.14 0.44 0.22 0.00 0.00 0.00 174.94 175.87 1m4p h TYR 110 N 6.67 0.07 -0.45 3.97 3.20 -1.78 -3.46 116.97 125.20 1m4p h TYR 110 Ca -0.42 -0.05 -0.80 0.00 3.14 0.00 0.00 58.73 60.60 1m4p h TYR 110 Cb 1.22 -0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.46 1m4p h TYR 110 CO 0.67 1.34 1.10 1.28 -1.64 0.00 0.00 178.16 180.91 1m4p n LEU 111 N -4.41 1.03 -2.86 2.82 7.99 -1.26 -4.70 117.00 115.61 1m4p n LEU 111 Ca -0.24 0.85 -0.23 0.00 -0.01 0.00 0.00 56.01 56.39 1m4p n LEU 111 Cb 0.65 -0.92 -0.06 0.00 -0.11 0.00 0.00 43.42 42.98 1m4p n LEU 111 CO 0.27 -0.78 2.33 -0.81 -1.51 0.00 0.00 177.39 176.89 1m4p n PRO 112 N 6.28 2.36 0.20 3.23 -0.04 -1.26 -4.53 135.00 141.23 1m4p n PRO 112 Ca 0.45 -1.43 0.11 0.00 -0.04 0.00 0.00 63.50 62.59 1m4p n PRO 112 Cb -0.03 -2.36 0.66 0.00 -0.04 0.00 0.00 33.50 31.73 1m4p n PRO 112 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1m4p h TYR 113 N 5.08 0.00 -0.18 0.54 0.05 -1.96 -0.52 116.97 119.98 1m4p h TYR 113 Ca 0.49 0.00 -0.22 0.00 0.05 0.00 0.00 58.73 59.05 1m4p h TYR 113 Cb 0.52 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.27 1m4p h TYR 113 CO 1.82 0.00 -0.74 1.25 -1.05 0.00 0.00 178.16 179.44 1m4p h LEU 114 N 0.00 0.95 -3.43 3.88 6.46 -1.98 -2.97 115.31 118.22 1m4p h LEU 114 Ca 0.06 -0.60 -0.38 0.00 -0.12 0.00 0.00 57.88 56.84 1m4p h LEU 114 Cb 0.23 -0.28 -0.21 0.00 -0.73 0.00 0.00 40.66 39.68 1m4p h LEU 114 CO -0.00 1.40 0.48 1.57 -0.62 0.00 0.00 178.44 181.27 1m4p n HIS 115 N -3.95 2.11 0.00 1.25 -0.00 -0.30 -4.07 115.22 110.27 1m4p n HIS 115 Ca -0.07 -1.64 0.00 0.00 0.46 0.00 0.00 57.72 56.47 1m4p n HIS 115 Cb 0.73 -0.82 0.00 0.00 -0.12 0.00 0.00 29.99 29.78 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 -0.51 0.00 0.00 1.57 1.02 -0.64 -4.98 120.64 117.10 1m4p n GLU 116 Ca 0.41 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.55 1m4p n GLU 116 Cb 1.14 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.56 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 -1.93 0.00 -4.20 -0.32 -0.00 -1.16 -4.83 117.44 105.00 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 -0.04 0.00 -0.00 0.00 0.00 31.31 31.27 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 -0.47 -2.77 -0.21 5.87 4.81 -1.26 -4.80 118.16 119.33 1m4p n LYS 118 Ca 0.00 0.33 0.00 0.00 -0.87 0.00 0.00 58.31 57.78 1m4p n LYS 118 Cb 0.00 -4.80 0.11 0.00 0.02 0.00 0.00 35.03 30.36 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 -1.54 0.39 -0.02 5.64 2.76 -1.94 -3.45 115.15 116.98 1m4p h HIS 119 Ca -0.61 0.03 -0.11 0.00 -2.20 0.00 0.00 60.37 57.48 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 0.09 -0.42 -1.00 -1.30 0.00 0.00 177.93 175.90 1m4p h PRO 120 N 0.40 0.33 0.00 5.26 0.13 -1.95 -3.50 132.00 132.67 1m4p h PRO 120 Ca 0.32 -0.32 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1m4p h PRO 120 Cb 0.41 0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.62 1m4p h PRO 120 CO -0.32 1.00 0.00 0.94 -0.23 0.00 0.00 178.00 179.38 1m4p n GLN 121 N -4.36 0.00 -1.01 0.86 0.00 -1.26 -4.79 117.38 106.81 1m4p n GLN 121 Ca -0.09 0.00 -0.36 0.00 -0.00 0.00 0.00 57.00 56.54 1m4p n GLN 121 Cb 0.57 0.00 0.04 0.00 0.00 0.00 0.00 30.24 30.85 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 0.10 -5.87 -4.45 1.69 2.88 -1.26 -5.00 113.62 101.72 1m4p n SER 122 Ca 0.00 0.21 -0.27 0.00 -1.33 0.00 0.00 58.87 57.48 1m4p n SER 122 Cb 0.00 -0.77 -0.09 0.00 -0.75 0.00 0.00 64.21 62.60 1m4p n SER 122 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1m4p s ASP 123 N -1.01 3.22 0.17 -3.46 1.11 -1.26 -4.99 116.67 110.45 1m4p s ASP 123 Ca 0.41 -1.56 -0.15 0.00 0.18 0.00 0.00 52.55 51.43 1m4p s ASP 123 Cb -0.20 0.25 0.11 0.00 1.07 0.00 0.00 42.92 44.16 1m4p s ASP 123 CO 0.82 -0.77 1.74 -0.07 1.18 0.00 0.00 175.17 178.07 1m4p h LEU 124 N 1.73 0.09 -0.66 1.23 -0.00 -1.95 0.54 115.31 116.29 1m4p h LEU 124 Ca -0.40 0.06 0.07 0.00 -0.00 0.00 0.00 57.88 57.61 1m4p h LEU 124 Cb 1.27 0.06 -0.06 0.00 -0.00 0.00 0.00 40.66 41.94 1m4p h LEU 124 CO 0.68 0.08 0.34 -0.07 -0.00 0.00 0.00 178.44 179.47 1m4p h LEU 125 N 0.26 0.47 -0.92 1.67 4.07 -1.96 -0.55 115.31 118.35 1m4p h LEU 125 Ca 0.20 0.04 -0.10 0.00 0.08 0.00 0.00 57.88 58.11 1m4p h LEU 125 Cb 0.21 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 41.90 1m4p h LEU 125 CO -0.23 0.29 -0.23 1.23 -1.08 0.00 0.00 178.44 178.42 1m4p h GLY 126 N 0.61 0.56 0.45 0.83 0.00 -1.57 -1.64 103.07 102.31 1m4p h GLY 126 Ca 0.31 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 47.18 1m4p h GLY 126 CO -0.22 0.41 -0.49 -2.00 0.00 0.00 0.00 176.54 174.24 1m4p h LEU 127 N 0.46 -1.38 -2.25 3.11 6.46 0.16 0.31 115.31 122.18 1m4p h LEU 127 Ca 0.07 0.12 -0.01 0.00 -0.12 0.00 0.00 57.88 57.94 1m4p h LEU 127 Cb 0.66 0.47 -0.00 0.00 -0.73 0.00 0.00 40.66 41.05 1m4p h LEU 127 CO 0.05 -0.63 -0.05 0.40 -0.62 0.00 0.00 178.44 177.59 1m4p h ILE 128 N -0.93 0.29 -0.34 4.05 5.03 -1.36 -1.78 117.51 122.48 1m4p h ILE 128 Ca -0.05 -0.29 -0.11 0.00 -0.12 0.00 0.00 64.86 64.29 1m4p h ILE 128 Cb 0.83 1.22 -0.01 0.00 -3.03 0.00 0.00 36.82 35.83 1m4p h ILE 128 CO -0.11 0.04 -0.22 -0.61 -0.68 0.00 0.00 178.15 176.57 1m4p h GLN 129 N 0.00 0.74 -0.41 2.37 4.15 0.05 -0.99 115.11 121.03 1m4p h GLN 129 Ca -0.00 -0.35 -0.00 0.00 0.77 0.00 0.00 58.65 59.06 1m4p h GLN 129 Cb 0.21 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.88 1m4p h GLN 129 CO 0.01 0.97 0.24 0.28 -1.93 0.00 0.00 178.83 178.39 1m4p h VAL 130 N 0.52 1.14 -0.85 2.39 2.07 0.41 -1.99 116.25 119.94 1m4p h VAL 130 Ca 0.07 -0.34 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 1m4p h VAL 130 Cb 0.78 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 31.14 1m4p h VAL 130 CO 0.06 0.14 0.42 0.24 0.02 0.00 0.00 177.57 178.46 1m4p h MET 131 N 0.53 1.22 -0.25 1.57 2.86 -1.42 0.63 114.93 120.08 1m4p h MET 131 Ca 0.15 -0.17 0.02 0.00 -2.06 0.00 0.00 59.70 57.63 1m4p h MET 131 Cb 0.03 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.45 1m4p h MET 131 CO -0.03 0.93 0.17 0.82 1.06 0.00 0.00 176.91 179.86 1m4p h ILE 132 N 1.21 1.00 0.03 -1.22 2.04 -0.69 0.86 117.51 120.75 1m4p h ILE 132 Ca 0.29 -0.08 -0.08 0.00 1.00 0.00 0.00 64.86 66.00 1m4p h ILE 132 Cb 0.10 0.75 0.01 0.00 -0.74 0.00 0.00 36.82 36.94 1m4p h ILE 132 CO -0.04 0.04 -0.32 0.58 0.00 0.00 0.00 178.15 178.42 1m4p h VAL 133 N 0.23 1.62 -0.22 1.67 2.07 -0.55 -2.04 116.25 119.03 1m4p h VAL 133 Ca 0.10 -2.22 0.01 0.00 0.82 0.00 0.00 66.70 65.41 1m4p h VAL 133 Cb 0.12 3.07 -0.01 0.00 -1.52 0.00 0.00 31.29 32.94 1m4p h VAL 133 CO -0.02 0.60 0.14 0.58 0.02 0.00 0.00 177.57 178.89 1m4p h VAL 134 N -0.62 1.04 -0.42 2.57 2.07 -0.21 -1.31 116.25 119.37 1m4p h VAL 134 Ca -0.05 -0.10 -0.16 0.00 0.82 0.00 0.00 66.70 67.21 1m4p h VAL 134 Cb 1.17 0.73 -0.10 0.00 -1.52 0.00 0.00 31.29 31.57 1m4p h VAL 134 CO 0.06 0.05 0.21 0.49 0.02 0.00 0.00 177.57 178.40 1m4p n PHE 135 N -4.95 1.36 0.02 1.57 3.01 0.29 -3.48 117.46 115.28 1m4p n PHE 135 Ca -0.03 -0.87 0.00 0.00 1.01 0.00 0.00 57.45 57.57 1m4p n PHE 135 Cb 0.03 -0.49 -0.00 0.00 -0.01 0.00 0.00 39.48 39.01 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 -0.08 -0.09 0.40 1.37 0.00 -0.50 -4.80 105.19 101.49 1m4p n GLY 136 Ca 0.24 -0.01 -0.05 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.56 1.40 -4.93 1.61 9.92 -1.15 -4.70 116.55 118.14 1m4p n ASP 137 Ca 0.00 0.22 -0.23 0.00 -0.53 0.00 0.00 54.79 54.25 1m4p n ASP 137 Cb 0.01 -0.56 -0.03 0.00 -0.64 0.00 0.00 41.12 39.90 1m4p n ASP 137 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1m4p s GLU 138 N -2.35 3.34 -0.34 -1.24 2.02 -1.25 -5.05 118.70 113.83 1m4p s GLU 138 Ca -0.16 -0.74 -0.29 0.00 0.02 0.00 0.00 54.97 53.80 1m4p s GLU 138 Cb 0.02 -2.86 0.00 0.00 0.10 0.00 0.00 34.13 31.39 1m4p s GLU 138 CO 0.24 0.46 1.37 -1.25 0.02 0.00 0.00 175.26 176.11 1m4p s PRO 139 N -3.64 3.76 0.30 0.39 0.04 -1.26 -4.69 135.00 129.91 1m4p s PRO 139 Ca 0.34 1.15 0.15 0.00 0.04 0.00 0.00 61.00 62.68 1m4p s PRO 139 Cb -0.10 -3.95 0.37 0.00 0.04 0.00 0.00 34.50 30.86 1m4p s PRO 139 CO 0.28 -1.32 1.59 -1.00 0.04 0.00 0.00 177.00 176.59 1m4p h PRO 140 N 10.00 0.00 0.00 0.56 0.13 -1.90 -3.41 132.00 137.38 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 1.11 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.11 1m4p h PRO 140 CO 1.05 0.53 -0.11 1.55 -0.23 0.00 0.00 178.00 180.79 1m4p n VAL 141 N -3.48 0.00 -1.72 1.56 3.14 -1.26 -3.59 118.33 112.97 1m4p n VAL 141 Ca 0.00 -0.92 -0.42 0.00 -2.96 0.00 0.00 64.34 60.04 1m4p n VAL 141 Cb 0.64 1.21 -0.02 0.00 -1.06 0.00 0.00 33.84 34.60 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 0.73 2.70 -2.83 1.45 -1.74 -1.13 -4.25 117.46 112.39 1m4p n PHE 142 Ca -0.01 0.23 -0.20 0.00 -0.56 0.00 0.00 57.45 56.91 1m4p n PHE 142 Cb 0.73 -2.59 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 0.63 5.03 0.59 5.98 0.15 -1.26 -3.61 113.70 121.20 1m4p s SER 143 Ca 0.68 -0.47 -0.10 0.00 0.70 0.00 0.00 55.95 56.76 1m4p s SER 143 Cb -0.53 -0.19 -0.03 0.00 -1.71 0.00 0.00 66.02 63.55 1m4p s SER 143 CO 0.45 -1.34 0.97 -0.13 1.20 0.00 0.00 173.24 174.39 1m4p s ARG 144 N -4.76 3.52 0.00 5.44 1.81 -1.26 -4.99 118.95 118.70 1m4p s ARG 144 Ca 0.61 0.58 0.24 0.00 -1.72 0.00 0.00 55.73 55.44 1m4p s ARG 144 Cb -0.07 -2.15 1.43 0.00 -0.45 0.00 0.00 34.95 33.71 1m4p s ARG 144 CO 0.39 -0.52 1.80 -0.35 -0.68 0.00 0.00 175.30 175.94