#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 0.88 0.33 0.00 0.31 -1.26 -4.43 118.33 114.16 1m4p n VAL 3 Ca 0.00 -0.32 0.21 0.00 -0.01 0.00 0.00 64.34 64.22 1m4p n VAL 3 Cb 0.00 -1.15 1.12 0.00 -0.91 0.00 0.00 33.84 32.90 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 -0.09 0.00 -0.96 4.52 0.87 -2.00 -2.64 113.55 113.25 1m4p h SER 4 Ca -0.35 0.00 0.31 0.00 -1.23 0.00 0.00 61.79 60.51 1m4p h SER 4 Cb 1.51 0.00 -0.18 0.00 -0.44 0.00 0.00 62.40 63.29 1m4p h SER 4 CO -0.08 0.00 0.16 -1.84 -0.53 0.00 0.00 176.83 174.54 1m4p n GLU 5 N -3.17 -0.07 -0.07 2.24 -0.00 -1.26 0.18 120.64 118.49 1m4p n GLU 5 Ca -0.03 1.41 -0.09 0.00 -0.00 0.00 0.00 57.16 58.45 1m4p n GLU 5 Cb 0.13 -2.32 -0.02 0.00 -0.00 0.00 0.00 31.44 29.23 1m4p n GLU 5 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.13 177.90 1m4p h SER 6 N 0.00 0.29 0.61 -1.84 0.02 -1.80 -1.92 113.55 108.90 1m4p h SER 6 Ca 0.65 -0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 61.48 1m4p h SER 6 Cb 1.48 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.94 1m4p h SER 6 CO -0.86 0.21 -0.55 -0.61 -1.14 0.00 0.00 176.83 173.88 1m4p h GLN 7 N 0.35 0.00 -0.77 3.45 4.15 0.18 -2.99 115.11 119.47 1m4p h GLN 7 Ca 0.10 0.00 0.09 0.00 0.77 0.00 0.00 58.65 59.61 1m4p h GLN 7 Cb -0.02 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 27.60 1m4p h GLN 7 CO -0.03 0.55 0.42 1.25 -1.93 0.00 0.00 178.83 179.09 1m4p h LEU 8 N 0.00 0.59 -2.50 -2.39 5.85 0.27 0.52 115.31 117.65 1m4p h LEU 8 Ca -0.01 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 1m4p h LEU 8 Cb 1.00 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.96 1m4p h LEU 8 CO 0.07 0.35 -0.00 0.50 -0.34 0.00 0.00 178.44 179.01 1m4p h LYS 9 N 0.72 0.00 0.00 1.25 3.64 -1.28 0.26 116.57 121.16 1m4p h LYS 9 Ca 0.37 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.61 1m4p h LYS 9 Cb 0.34 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 1m4p h LYS 9 CO -0.24 0.00 -0.80 -0.22 -2.27 0.00 0.00 179.45 175.92 1m4p h LYS 10 N 0.00 0.00 0.00 1.90 3.64 -0.11 -2.61 116.57 119.39 1m4p h LYS 10 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1m4p h LYS 10 Cb 0.01 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1m4p h LYS 10 CO 0.00 0.56 0.00 0.52 -2.27 0.00 0.00 179.45 178.26 1m4p h MET 11 N 0.00 0.00 0.00 1.90 2.86 0.11 -3.38 114.93 116.42 1m4p h MET 11 Ca -0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1m4p h MET 11 Cb 1.52 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.18 1m4p h MET 11 CO 0.08 0.00 0.00 1.33 1.06 0.00 0.00 176.91 179.38 1m4p n VAL 12 N -2.45 0.00 -2.27 -2.22 0.24 -1.14 -4.89 118.33 105.60 1m4p n VAL 12 Ca 0.01 0.00 -0.02 0.00 -2.04 0.00 0.00 64.34 62.29 1m4p n VAL 12 Cb 0.18 -0.33 -0.00 0.00 -1.47 0.00 0.00 33.84 32.22 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 -0.28 -1.33 0.00 -1.34 2.88 -0.99 -4.21 113.62 108.35 1m4p n SER 13 Ca 0.00 0.39 0.00 0.00 -1.33 0.00 0.00 58.87 57.93 1m4p n SER 13 Cb 0.00 -1.31 0.00 0.00 -0.75 0.00 0.00 64.21 62.15 1m4p n SER 13 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1m4p n LYS 14 N -2.34 0.00 -1.23 -1.46 4.81 -1.26 -5.11 118.16 111.57 1m4p n LYS 14 Ca -0.02 0.00 -0.47 0.00 -0.87 0.00 0.00 58.31 56.95 1m4p n LYS 14 Cb 0.45 -0.08 -0.05 0.00 0.02 0.00 0.00 35.03 35.37 1m4p n LYS 14 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1m4p n TYR 15 N -2.10 0.25 -0.37 5.64 4.02 -1.26 -4.76 117.16 118.58 1m4p n TYR 15 Ca 0.00 0.86 -0.01 0.00 -0.01 0.00 0.00 57.90 58.74 1m4p n TYR 15 Cb 0.00 -1.71 0.04 0.00 -0.02 0.00 0.00 39.34 37.65 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 2.00 -0.01 -2.16 -0.72 3.64 -1.98 0.72 116.57 118.07 1m4p h LYS 16 Ca -0.37 0.00 -0.71 0.00 -1.27 0.00 0.00 60.65 58.30 1m4p h LYS 16 Cb 1.20 0.00 -0.33 0.00 -0.41 0.00 0.00 32.23 32.69 1m4p h LYS 16 CO 0.52 -0.01 0.35 0.66 -2.27 0.00 0.00 179.45 178.71 1m4p n TYR 17 N -5.48 3.26 -0.19 1.91 4.01 -1.26 -4.81 117.16 114.60 1m4p n TYR 17 Ca 0.10 -3.02 0.00 0.00 -0.16 0.00 0.00 57.90 54.82 1m4p n TYR 17 Cb 0.40 -0.87 0.10 0.00 -0.31 0.00 0.00 39.34 38.66 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 3.50 0.21 0.60 -0.72 2.43 -1.16 1.42 114.38 120.67 1m4p h ARG 18 Ca 0.39 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.52 1m4p h ARG 18 Cb 0.39 -0.05 0.01 0.00 -0.42 0.00 0.00 29.97 29.90 1m4p h ARG 18 CO 1.07 0.14 -0.29 0.22 -1.51 0.00 0.00 179.97 179.61 1m4p h ASP 19 N 0.22 -0.69 -0.46 -3.80 3.58 -1.87 1.14 116.42 114.55 1m4p h ASP 19 Ca 0.31 0.01 0.09 0.00 0.42 0.00 0.00 57.03 57.85 1m4p h ASP 19 Cb 0.47 0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.67 1m4p h ASP 19 CO -0.42 -0.46 0.31 0.25 -2.88 0.00 0.00 179.24 176.04 1m4p h LEU 20 N -0.85 0.21 0.03 2.28 5.85 -1.74 0.52 115.31 121.61 1m4p h LEU 20 Ca -0.08 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 1m4p h LEU 20 Cb 0.64 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.62 1m4p h LEU 20 CO 0.14 0.13 -0.01 0.74 -0.34 0.00 0.00 178.44 179.10 1m4p h THR 21 N 0.24 1.42 -0.25 1.05 2.02 0.26 0.20 112.91 117.86 1m4p h THR 21 Ca 0.21 -1.50 -0.01 0.00 0.77 0.00 0.00 66.41 65.88 1m4p h THR 21 Cb 0.52 2.41 -0.01 0.00 -1.74 0.00 0.00 68.15 69.32 1m4p h THR 21 CO -0.04 0.38 0.12 0.58 0.37 0.00 0.00 175.52 176.93 1m4p h VAL 22 N -0.70 1.09 0.00 3.16 2.07 0.22 0.71 116.25 122.80 1m4p h VAL 22 Ca -0.00 -0.26 -0.18 0.00 0.82 0.00 0.00 66.70 67.08 1m4p h VAL 22 Cb 0.64 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 1m4p h VAL 22 CO 0.01 0.10 -0.84 -0.09 0.02 0.00 0.00 177.57 176.77 1m4p h ARG 23 N 0.35 0.01 0.12 1.57 2.43 0.03 -1.40 114.38 117.49 1m4p h ARG 23 Ca 0.09 -0.01 -0.21 0.00 -0.81 0.00 0.00 59.98 59.03 1m4p h ARG 23 Cb 0.04 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 29.62 1m4p h ARG 23 CO -0.01 0.84 -0.90 0.93 -1.51 0.00 0.00 179.97 179.31 1m4p h GLU 24 N 0.01 0.40 -0.32 0.20 3.07 0.67 -1.90 114.58 116.70 1m4p h GLU 24 Ca -0.01 -0.59 -0.05 0.00 -0.50 0.00 0.00 59.36 58.21 1m4p h GLU 24 Cb 1.48 0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 29.58 1m4p h GLU 24 CO 0.11 1.26 0.02 1.15 -1.40 0.00 0.00 179.01 180.15 1m4p h THR 25 N -0.17 1.25 -0.63 1.13 2.02 0.30 -2.39 112.91 114.42 1m4p h THR 25 Ca -0.15 -0.90 -0.05 0.00 0.77 0.00 0.00 66.41 66.08 1m4p h THR 25 Cb 1.67 1.21 -0.03 0.00 -1.74 0.00 0.00 68.15 69.27 1m4p h THR 25 CO 0.17 0.29 0.18 -0.37 0.37 0.00 0.00 175.52 176.17 1m4p h VAL 26 N 0.36 1.25 -0.58 3.16 -1.51 -1.36 -2.53 116.25 115.04 1m4p h VAL 26 Ca 0.09 -0.88 0.11 0.00 -1.23 0.00 0.00 66.70 64.79 1m4p h VAL 26 Cb 0.41 0.62 -0.08 0.00 -2.13 0.00 0.00 31.29 30.11 1m4p h VAL 26 CO 0.01 0.33 0.12 0.78 -1.23 0.00 0.00 177.57 177.58 1m4p h ASN 27 N 0.91 -0.02 0.05 4.19 4.21 -1.15 1.46 115.58 125.23 1m4p h ASN 27 Ca 0.20 0.11 -0.00 0.00 1.21 0.00 0.00 56.30 57.82 1m4p h ASN 27 Cb 0.32 0.16 -0.00 0.00 -1.12 0.00 0.00 38.32 37.67 1m4p h ASN 27 CO -0.00 0.00 -0.04 0.58 -1.29 0.00 0.00 177.43 176.69 1m4p h VAL 28 N 0.25 0.00 -0.04 2.81 2.07 -1.03 1.16 116.25 121.46 1m4p h VAL 28 Ca 0.30 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.83 1m4p h VAL 28 Cb 0.45 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.22 1m4p h VAL 28 CO -0.40 0.00 0.32 0.16 0.02 0.00 0.00 177.57 177.67 1m4p h ILE 29 N -0.08 0.04 0.00 4.57 3.07 -1.17 1.49 117.51 125.43 1m4p h ILE 29 Ca -0.01 0.00 -0.09 0.00 1.55 0.00 0.00 64.86 66.31 1m4p h ILE 29 Cb 0.07 0.69 -0.01 0.00 -0.27 0.00 0.00 36.82 37.29 1m4p h ILE 29 CO 0.00 0.00 -0.76 0.74 -1.05 0.00 0.00 178.15 177.08 1m4p h THR 30 N 0.00 0.52 0.00 0.16 2.02 0.32 -0.43 112.91 115.50 1m4p h THR 30 Ca 0.02 -1.82 -0.26 0.00 0.77 0.00 0.00 66.41 65.12 1m4p h THR 30 Cb 0.65 2.13 -0.04 0.00 -1.74 0.00 0.00 68.15 69.15 1m4p h THR 30 CO -0.00 0.30 -1.43 -0.11 0.37 0.00 0.00 175.52 174.64 1m4p n LEU 31 N -3.04 1.87 -0.10 2.58 7.94 0.45 -4.74 117.00 121.97 1m4p n LEU 31 Ca -0.01 0.42 -0.15 0.00 -1.11 0.00 0.00 56.01 55.16 1m4p n LEU 31 Cb 0.71 -0.94 -0.06 0.00 0.53 0.00 0.00 43.42 43.67 1m4p n LEU 31 CO 0.40 0.29 -0.74 -1.22 -1.11 0.00 0.00 177.39 175.01 1m4p n TYR 32 N -4.41 0.42 -1.07 1.96 4.01 0.21 -4.99 117.16 113.27 1m4p n TYR 32 Ca -0.35 0.18 -0.03 0.00 -0.16 0.00 0.00 57.90 57.55 1m4p n TYR 32 Cb 0.70 -0.78 -0.01 0.00 -0.31 0.00 0.00 39.34 38.93 1m4p n TYR 32 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1m4p n LYS 33 N -4.45 -0.24 -0.03 -0.72 4.81 -0.17 -4.86 118.16 112.50 1m4p n LYS 33 Ca -0.24 0.50 0.01 0.00 -0.87 0.00 0.00 58.31 57.72 1m4p n LYS 33 Cb 0.56 -4.06 -0.09 0.00 0.02 0.00 0.00 35.03 31.46 1m4p n LYS 33 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1m4p n ASP 34 N 1.16 2.18 -4.78 3.14 9.92 -1.26 -4.98 116.55 121.93 1m4p n ASP 34 Ca -0.03 0.00 -0.29 0.00 -0.53 0.00 0.00 54.79 53.95 1m4p n ASP 34 Cb 0.10 1.25 0.14 0.00 -0.64 0.00 0.00 41.12 41.96 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 -4.26 2.01 -0.19 0.64 1.02 -1.26 -3.31 118.68 113.34 1m4p s LEU 35 Ca -0.05 1.01 -0.04 0.00 0.02 0.00 0.00 54.13 55.07 1m4p s LEU 35 Cb 0.06 -3.35 0.09 0.00 0.02 0.00 0.00 46.19 43.02 1m4p s LEU 35 CO 0.50 -2.57 0.32 -0.75 0.02 0.00 0.00 176.35 173.86 1m4p s LYS 36 N -5.23 0.24 -0.15 1.70 2.20 0.21 -4.87 119.74 113.84 1m4p s LYS 36 Ca 0.64 0.65 -0.29 0.00 -0.36 0.00 0.00 55.97 56.60 1m4p s LYS 36 Cb -0.15 -0.29 -0.02 0.00 -1.51 0.00 0.00 37.83 35.86 1m4p s LYS 36 CO 0.54 -0.44 1.27 -1.25 -0.36 0.00 0.00 175.35 175.11 1m4p s PRO 37 N 2.48 4.24 0.33 4.03 0.04 -1.26 -0.19 135.00 144.67 1m4p s PRO 37 Ca 0.05 1.68 0.10 0.00 0.04 0.00 0.00 61.00 62.87 1m4p s PRO 37 Cb -0.14 -3.75 -0.06 0.00 0.04 0.00 0.00 34.50 30.60 1m4p s PRO 37 CO -0.12 -0.68 -0.11 0.54 0.04 0.00 0.00 177.00 176.67 1m4p s VAL 38 N 3.36 2.21 -0.03 -0.36 0.11 0.17 -4.97 120.40 120.89 1m4p s VAL 38 Ca 0.55 -2.23 0.05 0.00 -2.93 0.00 0.00 61.98 57.42 1m4p s VAL 38 Cb -0.22 -2.57 -0.03 0.00 -1.53 0.00 0.00 36.38 32.03 1m4p s VAL 38 CO 0.16 -0.24 -0.16 -0.22 -3.33 0.00 0.00 175.10 171.30 1m4p s LEU 39 N -3.57 2.64 0.19 2.54 1.98 -1.26 -1.28 118.68 119.92 1m4p s LEU 39 Ca 0.32 -0.25 0.07 0.00 -2.89 0.00 0.00 54.13 51.38 1m4p s LEU 39 Cb 0.01 -1.53 -0.05 0.00 0.66 0.00 0.00 46.19 45.29 1m4p s LEU 39 CO 0.16 0.33 -0.14 1.51 -1.89 0.00 0.00 176.35 176.32 1m4p s ASP 40 N -0.81 2.46 -0.05 3.68 -4.77 0.11 -4.95 116.67 112.34 1m4p s ASP 40 Ca 0.12 -0.99 -0.02 0.00 -3.30 0.00 0.00 52.55 48.36 1m4p s ASP 40 Cb -0.11 -0.12 0.04 0.00 -1.09 0.00 0.00 42.92 41.64 1m4p s ASP 40 CO 0.01 -0.17 0.09 -0.55 0.70 0.00 0.00 175.17 175.25 1m4p s SER 41 N -3.16 0.91 0.02 2.11 0.15 -1.26 -1.84 113.70 110.62 1m4p s SER 41 Ca 0.20 0.17 -0.01 0.00 0.70 0.00 0.00 55.95 57.01 1m4p s SER 41 Cb -0.01 0.01 -0.02 0.00 -1.71 0.00 0.00 66.02 64.30 1m4p s SER 41 CO 0.06 -0.24 0.00 -0.47 1.20 0.00 0.00 173.24 173.79 1m4p s TYR 42 N 2.12 0.22 0.34 3.44 5.04 -0.89 -4.86 117.35 122.75 1m4p s TYR 42 Ca 0.03 -0.45 -0.25 0.00 -2.44 0.00 0.00 57.07 53.97 1m4p s TYR 42 Cb -0.12 -0.16 -0.10 0.00 0.35 0.00 0.00 41.96 41.93 1m4p s TYR 42 CO -0.04 -0.20 0.93 0.14 -1.34 0.00 0.00 175.55 175.04 1m4p s VAL 43 N -1.42 4.27 0.15 3.14 -7.23 -1.26 0.82 120.40 118.87 1m4p s VAL 43 Ca -0.15 1.73 0.00 0.00 -1.81 0.00 0.00 61.98 61.74 1m4p s VAL 43 Cb -0.09 -3.92 0.00 0.00 0.56 0.00 0.00 36.38 32.93 1m4p s VAL 43 CO -0.01 0.05 0.00 0.49 -0.31 0.00 0.00 175.10 175.33 1m4p n PHE 44 N 0.33 -2.17 -1.53 2.82 3.72 0.08 -4.71 117.46 116.00 1m4p n PHE 44 Ca 0.03 0.40 -0.33 0.00 -0.05 0.00 0.00 57.45 57.50 1m4p n PHE 44 Cb 0.51 1.21 -0.10 0.00 -0.94 0.00 0.00 39.48 40.16 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 -2.87 1.12 -2.11 4.37 3.02 -1.23 -1.13 115.26 116.44 1m4p n ASN 45 Ca 0.00 -0.41 -0.04 0.00 -0.03 0.00 0.00 54.58 54.10 1m4p n ASN 45 Cb 0.00 -1.25 -0.01 0.00 -0.61 0.00 0.00 39.78 37.92 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 13.26 -1.75 -0.57 6.41 -0.08 -1.26 -0.03 116.55 132.54 1m4p n ASP 46 Ca 0.52 0.32 0.00 0.00 -1.51 0.00 0.00 54.79 54.12 1m4p n ASP 46 Cb 0.31 -1.68 0.00 0.00 2.34 0.00 0.00 41.12 42.09 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 -0.46 0.51 3.08 0.27 0.00 -0.28 -5.10 105.19 103.22 1m4p n GLY 47 Ca -0.05 -0.29 -0.28 0.00 0.00 0.00 0.00 46.02 45.41 1m4p n GLY 47 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1m4p s SER 48 N -2.14 2.32 0.60 1.61 0.01 0.96 -4.73 113.70 112.33 1m4p s SER 48 Ca 0.00 -0.40 -0.18 0.00 1.31 0.00 0.00 55.95 56.68 1m4p s SER 48 Cb 0.00 -1.05 -0.15 0.00 0.21 0.00 0.00 66.02 65.03 1m4p s SER 48 CO 0.00 0.05 -0.21 -1.54 0.41 0.00 0.00 173.24 171.95 1m4p n SER 49 N 3.90 -3.95 -3.81 2.44 3.41 -1.26 -0.74 113.62 113.61 1m4p n SER 49 Ca -0.21 0.57 -0.12 0.00 -0.26 0.00 0.00 58.87 58.85 1m4p n SER 49 Cb 0.52 -0.85 -0.09 0.00 -0.26 0.00 0.00 64.21 63.52 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 -1.26 0.56 -0.28 4.33 3.00 0.24 -4.69 118.95 120.84 1m4p s ARG 50 Ca 0.54 -0.23 -0.14 0.00 -1.00 0.00 0.00 55.73 54.90 1m4p s ARG 50 Cb -0.44 0.24 -0.04 0.00 0.00 0.00 0.00 34.95 34.72 1m4p s ARG 50 CO 0.69 -0.14 0.31 -1.21 0.00 0.00 0.00 175.30 174.95 1m4p s GLU 51 N -1.22 3.94 -0.02 5.12 8.01 -1.26 -2.10 118.70 131.17 1m4p s GLU 51 Ca -0.13 -0.13 -0.01 0.00 0.01 0.00 0.00 54.97 54.71 1m4p s GLU 51 Cb -0.06 -3.67 0.01 0.00 -4.31 0.00 0.00 34.13 26.10 1m4p s GLU 51 CO 0.03 -0.27 0.06 -1.17 0.01 0.00 0.00 175.26 173.91 1m4p s LEU 52 N 1.96 1.55 0.73 1.80 0.20 -0.77 -5.04 118.68 119.11 1m4p s LEU 52 Ca 0.12 0.11 -0.05 0.00 0.69 0.00 0.00 54.13 55.00 1m4p s LEU 52 Cb -0.16 0.14 0.10 0.00 -0.43 0.00 0.00 46.19 45.85 1m4p s LEU 52 CO 0.10 -0.05 1.02 -0.32 -0.29 0.00 0.00 176.35 176.81 1m4p s MET 53 N 0.36 1.80 -0.24 1.98 -2.45 -1.26 0.04 119.30 119.53 1m4p s MET 53 Ca -0.03 -0.69 -0.28 0.00 -1.25 0.00 0.00 55.69 53.45 1m4p s MET 53 Cb -0.04 -2.23 0.15 0.00 1.25 0.00 0.00 34.83 33.96 1m4p s MET 53 CO -0.01 -1.43 1.14 0.54 1.05 0.00 0.00 175.02 176.31 1m4p s ASN 54 N -4.65 -0.28 0.04 1.11 4.22 -0.40 -2.02 114.94 112.97 1m4p s ASN 54 Ca 0.64 0.41 0.01 0.00 -2.14 0.00 0.00 52.86 51.78 1m4p s ASN 54 Cb -0.07 0.37 -0.04 0.00 1.28 0.00 0.00 41.25 42.79 1m4p s ASN 54 CO 0.45 -0.19 0.12 -0.76 -2.04 0.00 0.00 177.10 174.68 1m4p s LEU 55 N -0.57 4.01 -0.24 3.54 2.01 -0.37 0.43 118.68 127.50 1m4p s LEU 55 Ca 0.03 0.13 -0.18 0.00 0.01 0.00 0.00 54.13 54.12 1m4p s LEU 55 Cb -0.02 -2.55 0.07 0.00 0.01 0.00 0.00 46.19 43.69 1m4p s LEU 55 CO -0.05 0.21 0.60 0.28 1.01 0.00 0.00 176.35 178.40 1m4p s THR 56 N -1.36 -0.00 -2.59 5.49 -1.32 0.73 -2.33 115.64 114.25 1m4p s THR 56 Ca 0.29 0.02 0.00 0.00 -1.21 0.00 0.00 61.69 60.78 1m4p s THR 56 Cb -0.12 -0.86 0.00 0.00 -1.51 0.00 0.00 72.50 70.01 1m4p s THR 56 CO 0.21 0.01 0.00 0.61 -2.21 0.00 0.00 174.62 173.24 1m4p n GLY 57 N 3.48 -1.45 3.03 6.08 0.00 -1.14 0.68 105.19 115.87 1m4p n GLY 57 Ca -0.17 -1.05 -0.32 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 -2.82 2.35 0.38 2.61 -4.23 -1.21 -0.60 115.64 112.13 1m4p s THR 58 Ca 0.00 -2.26 -0.23 0.00 -1.18 0.00 0.00 61.69 58.02 1m4p s THR 58 Cb 0.00 -2.70 -0.10 0.00 1.34 0.00 0.00 72.50 71.04 1m4p s THR 58 CO 0.00 -0.56 0.94 0.27 -0.54 0.00 0.00 174.62 174.74 1m4p s ILE 59 N 0.94 4.32 -0.54 2.99 -4.36 -0.47 -4.67 121.20 119.41 1m4p s ILE 59 Ca 0.09 1.62 -0.28 0.00 -0.26 0.00 0.00 60.65 61.82 1m4p s ILE 59 Cb -0.19 -3.77 0.01 0.00 1.25 0.00 0.00 42.46 39.75 1m4p s ILE 59 CO -0.07 -0.12 1.48 -2.16 0.24 0.00 0.00 174.94 174.31 1m4p s PRO 60 N -2.70 3.25 -0.38 0.37 0.04 -1.26 -1.22 135.00 133.10 1m4p s PRO 60 Ca 0.57 0.56 -0.21 0.00 0.04 0.00 0.00 61.00 61.96 1m4p s PRO 60 Cb -0.13 -4.15 0.01 0.00 0.04 0.00 0.00 34.50 30.27 1m4p s PRO 60 CO 0.18 -1.99 0.64 0.08 0.04 0.00 0.00 177.00 175.95 1m4p s VAL 61 N 6.38 4.86 0.62 -0.36 1.01 0.10 -4.87 120.40 128.14 1m4p s VAL 61 Ca 0.56 0.43 -0.14 0.00 0.00 0.00 0.00 61.98 62.83 1m4p s VAL 61 Cb -0.12 -4.12 -0.03 0.00 0.00 0.00 0.00 36.38 32.11 1m4p s VAL 61 CO 0.25 -0.42 1.05 -2.16 0.00 0.00 0.00 175.10 173.83 1m4p s PRO 62 N 2.76 3.25 0.00 2.72 0.04 -1.26 0.04 135.00 142.55 1m4p s PRO 62 Ca 0.24 1.09 0.00 0.00 0.04 0.00 0.00 61.00 62.37 1m4p s PRO 62 Cb -0.14 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.37 1m4p s PRO 62 CO 0.16 -0.86 0.00 0.98 0.04 0.00 0.00 177.00 177.33 1m4p n TYR 63 N -2.37 0.00 0.84 0.56 9.36 0.23 -4.78 117.16 121.01 1m4p n TYR 63 Ca 0.08 0.00 0.14 0.00 3.32 0.00 0.00 57.90 61.44 1m4p n TYR 63 Cb 0.53 0.00 0.52 0.00 -0.63 0.00 0.00 39.34 39.76 1m4p n TYR 63 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1m4p n ARG 64 N 0.00 0.11 -1.08 2.98 5.12 -1.26 -4.39 116.66 118.15 1m4p n ARG 64 Ca 0.00 0.09 -0.00 0.00 -1.93 0.00 0.00 57.85 56.01 1m4p n ARG 64 Cb 0.00 -1.63 0.00 0.00 -1.16 0.00 0.00 32.46 29.67 1m4p n ARG 64 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1m4p n GLY 65 N 1.42 -0.69 2.90 -0.13 0.00 -1.26 -5.16 105.19 102.27 1m4p n GLY 65 Ca 0.06 -0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.03 1m4p n GLY 65 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1m4p n ASN 66 N -0.03 -1.57 -3.23 1.61 4.13 -1.26 -5.15 115.26 109.76 1m4p n ASN 66 Ca -0.01 -1.99 -0.02 0.00 1.68 0.00 0.00 54.58 54.24 1m4p n ASN 66 Cb 0.40 2.59 -0.03 0.00 -1.54 0.00 0.00 39.78 41.20 1m4p n ASN 66 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1m4p s THR 67 N -2.26 -0.83 0.00 3.41 2.01 -1.26 0.77 115.64 117.49 1m4p s THR 67 Ca 0.14 -0.09 0.00 0.00 0.31 0.00 0.00 61.69 62.05 1m4p s THR 67 Cb -0.03 -0.96 0.00 0.00 0.01 0.00 0.00 72.50 71.52 1m4p s THR 67 CO 0.07 -0.10 0.00 -1.22 -0.69 0.00 0.00 174.62 172.68 1m4p n TYR 68 N 5.39 -2.00 -4.07 4.92 4.02 0.11 -4.76 117.16 120.77 1m4p n TYR 68 Ca 0.01 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.63 1m4p n TYR 68 Cb 0.51 0.00 -0.17 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 2.18 -0.09 7.72 0.01 -1.26 0.03 114.94 122.54 1m4p s ASN 69 Ca 0.00 -0.33 0.02 0.00 -0.71 0.00 0.00 52.86 51.84 1m4p s ASN 69 Cb 0.00 -0.90 -0.02 0.00 0.41 0.00 0.00 41.25 40.74 1m4p s ASN 69 CO 0.00 -0.08 -0.14 -0.51 -1.51 0.00 0.00 177.10 174.86 1m4p s ILE 70 N 1.45 3.00 0.40 0.60 1.10 -0.36 -4.90 121.20 122.50 1m4p s ILE 70 Ca 0.01 -0.71 -0.24 0.00 -0.51 0.00 0.00 60.65 59.20 1m4p s ILE 70 Cb -0.13 -2.21 -0.09 0.00 0.15 0.00 0.00 42.46 40.18 1m4p s ILE 70 CO -0.06 0.56 1.05 -2.16 -2.11 0.00 0.00 174.94 172.22 1m4p s PRO 71 N -0.19 4.14 0.06 3.50 0.04 -1.26 -1.37 135.00 139.92 1m4p s PRO 71 Ca -0.00 1.52 0.03 0.00 0.04 0.00 0.00 61.00 62.59 1m4p s PRO 71 Cb -0.13 -2.53 -0.03 0.00 0.04 0.00 0.00 34.50 31.85 1m4p s PRO 71 CO 0.03 -0.16 -0.08 0.42 0.04 0.00 0.00 177.00 177.24 1m4p s ILE 72 N -1.66 0.65 -0.30 0.56 -1.09 0.23 -3.92 121.20 115.67 1m4p s ILE 72 Ca 0.58 -1.27 0.01 0.00 -2.23 0.00 0.00 60.65 57.74 1m4p s ILE 72 Cb -0.22 -0.87 0.19 0.00 -1.58 0.00 0.00 42.46 39.99 1m4p s ILE 72 CO 0.28 -0.45 0.62 0.00 -1.23 0.00 0.00 174.94 174.15 1m4p s LEU 74 N 2.86 1.96 0.26 0.00 2.34 -0.99 0.10 118.68 125.21 1m4p s LEU 74 Ca 0.17 -1.18 0.05 0.00 0.06 0.00 0.00 54.13 53.23 1m4p s LEU 74 Cb -0.13 0.17 -0.03 0.00 -0.56 0.00 0.00 46.19 45.64 1m4p s LEU 74 CO -0.22 -0.66 0.39 0.26 -1.06 0.00 0.00 176.35 175.05 1m4p s TRP 75 N -3.90 3.40 -0.33 3.48 0.52 -0.90 -1.24 118.94 119.97 1m4p s TRP 75 Ca 0.22 -0.03 0.00 0.00 0.02 0.00 0.00 56.10 56.32 1m4p s TRP 75 Cb 0.07 -1.65 0.11 0.00 -1.15 0.00 0.00 33.47 30.85 1m4p s TRP 75 CO 0.01 0.36 0.11 -1.17 0.02 0.00 0.00 176.95 176.28 1m4p s LEU 76 N -4.03 2.77 0.00 2.99 2.96 -0.86 -4.74 118.68 117.77 1m4p s LEU 76 Ca 0.36 -1.88 -0.08 0.00 -0.22 0.00 0.00 54.13 52.31 1m4p s LEU 76 Cb -0.09 -1.03 0.13 0.00 0.50 0.00 0.00 46.19 45.70 1m4p s LEU 76 CO 0.30 -0.39 0.30 0.18 -1.32 0.00 0.00 176.35 175.41 1m4p n LEU 77 N 4.55 0.00 -0.04 -0.68 7.99 -1.26 -4.01 117.00 123.55 1m4p n LEU 77 Ca 0.01 -0.30 -0.21 0.00 -0.01 0.00 0.00 56.01 55.49 1m4p n LEU 77 Cb 0.41 -0.43 -0.13 0.00 -0.11 0.00 0.00 43.42 43.16 1m4p n LEU 77 CO 0.15 -1.97 -0.90 0.47 -1.51 0.00 0.00 177.39 173.63 1m4p n ASP 78 N -2.37 2.06 0.00 -1.43 9.92 -1.26 -4.91 116.55 118.55 1m4p n ASP 78 Ca 0.05 0.18 0.00 0.00 -0.53 0.00 0.00 54.79 54.49 1m4p n ASP 78 Cb 0.20 -0.79 0.00 0.00 -0.64 0.00 0.00 41.12 39.89 1m4p n ASP 78 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 1m4p n THR 79 N -3.61 0.00 0.00 -3.53 5.66 -1.26 -4.26 114.28 107.28 1m4p n THR 79 Ca -0.36 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.64 1m4p n THR 79 Cb 0.98 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.76 1m4p n THR 79 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1m4p n TYR 80 N 0.00 0.00 0.05 1.09 4.19 -1.26 -4.80 117.16 116.43 1m4p n TYR 80 Ca 0.00 0.00 -0.14 0.00 3.31 0.00 0.00 57.90 61.07 1m4p n TYR 80 Cb 0.00 0.00 -0.03 0.00 0.49 0.00 0.00 39.34 39.80 1m4p n TYR 80 CO 0.00 0.00 0.00 -1.00 0.91 0.00 0.00 176.86 176.77 1m4p h PRO 81 N 0.00 0.49 0.00 2.98 0.13 -2.03 -3.43 132.00 130.14 1m4p h PRO 81 Ca 0.00 -0.47 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1m4p h PRO 81 Cb 0.00 0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.25 1m4p h PRO 81 CO 0.00 1.11 0.00 0.66 -0.23 0.00 0.00 178.00 179.54 1m4p n TYR 82 N -3.80 -0.52 -3.85 1.56 4.01 -1.26 -5.14 117.16 108.15 1m4p n TYR 82 Ca -0.07 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.56 1m4p n TYR 82 Cb 0.80 0.24 -0.09 0.00 -0.31 0.00 0.00 39.34 39.97 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 -2.85 0.00 -0.33 7.72 -0.87 -1.26 -5.01 114.94 112.34 1m4p s ASN 83 Ca 0.00 -0.22 -0.29 0.00 -1.57 0.00 0.00 52.86 50.78 1m4p s ASN 83 Cb 0.00 0.24 0.00 0.00 -0.02 0.00 0.00 41.25 41.48 1m4p s ASN 83 CO 0.00 -0.44 1.36 -2.16 -2.57 0.00 0.00 177.10 173.29 1m4p s PRO 84 N -1.73 3.79 0.20 -0.60 0.04 -1.26 -4.87 135.00 130.57 1m4p s PRO 84 Ca -0.12 1.17 0.24 0.00 0.04 0.00 0.00 61.00 62.34 1m4p s PRO 84 Cb -0.05 -3.94 0.90 0.00 0.04 0.00 0.00 34.50 31.45 1m4p s PRO 84 CO 0.00 -1.28 1.74 -0.35 0.04 0.00 0.00 177.00 177.15 1m4p n PRO 85 N 7.60 0.20 -2.39 0.56 -0.04 -1.26 -4.63 135.00 135.04 1m4p n PRO 85 Ca 0.16 0.29 -0.42 0.00 -0.04 0.00 0.00 63.50 63.49 1m4p n PRO 85 Cb 0.47 -1.79 -0.03 0.00 -0.04 0.00 0.00 33.50 32.11 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 -3.18 3.79 -0.12 0.52 -1.09 -1.26 -4.95 121.20 114.91 1m4p s ILE 86 Ca 0.08 0.68 -0.03 0.00 -2.23 0.00 0.00 60.65 59.14 1m4p s ILE 86 Cb 0.11 -4.44 0.05 0.00 -1.58 0.00 0.00 42.46 36.60 1m4p s ILE 86 CO 0.48 -1.16 0.06 0.00 -1.23 0.00 0.00 174.94 173.09 1m4p s PHE 88 N 2.09 2.18 0.29 0.00 0.08 0.29 -2.60 117.98 120.30 1m4p s PHE 88 Ca 0.03 -0.86 0.10 0.00 0.12 0.00 0.00 56.93 56.32 1m4p s PHE 88 Cb -0.14 -1.52 -0.05 0.00 -0.57 0.00 0.00 43.02 40.74 1m4p s PHE 88 CO -0.07 0.20 -0.06 0.54 -0.10 0.00 0.00 175.22 175.73 1m4p s VAL 89 N -3.00 2.96 -0.59 -0.44 0.11 0.10 -1.03 120.40 118.52 1m4p s VAL 89 Ca 0.32 -2.09 0.06 0.00 -2.93 0.00 0.00 61.98 57.34 1m4p s VAL 89 Cb 0.08 -2.66 0.22 0.00 -1.53 0.00 0.00 36.38 32.49 1m4p s VAL 89 CO 0.15 -0.35 0.58 0.29 -3.33 0.00 0.00 175.10 172.45 1m4p n LYS 90 N -0.82 1.73 -1.52 1.54 4.76 -1.25 -4.75 118.16 117.85 1m4p n LYS 90 Ca -0.05 -4.20 -0.29 0.00 -2.87 0.00 0.00 58.31 50.90 1m4p n LYS 90 Cb 0.60 -2.02 0.18 0.00 -1.84 0.00 0.00 35.03 31.95 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 -1.65 0.25 0.00 1.97 0.04 -1.26 -4.54 135.00 129.81 1m4p s PRO 91 Ca 0.34 -0.04 0.00 0.00 0.04 0.00 0.00 61.00 61.34 1m4p s PRO 91 Cb 0.08 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.85 1m4p s PRO 91 CO -0.10 -2.73 0.00 0.25 0.04 0.00 0.00 177.00 174.46 1m4p n THR 92 N -4.07 0.00 -0.02 1.26 -2.24 -1.26 -5.04 114.28 102.90 1m4p n THR 92 Ca 0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 1m4p n THR 92 Cb 0.59 -0.50 -0.13 0.00 -2.10 0.00 0.00 70.33 68.19 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 -0.19 0.30 -0.23 3.42 3.41 -1.26 -4.01 113.62 115.07 1m4p n SER 93 Ca 0.00 0.13 0.13 0.00 -0.26 0.00 0.00 58.87 58.87 1m4p n SER 93 Cb 0.00 1.01 0.40 0.00 -0.26 0.00 0.00 64.21 65.37 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 -2.64 0.96 -2.87 4.04 2.88 -1.26 -4.90 113.62 109.82 1m4p n SER 94 Ca -0.16 -0.85 -0.12 0.00 -1.33 0.00 0.00 58.87 56.41 1m4p n SER 94 Cb 0.86 0.11 0.08 0.00 -0.75 0.00 0.00 64.21 64.51 1m4p n SER 94 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1m4p n MET 95 N -0.69 -0.38 -3.23 -1.46 2.00 -1.26 -3.92 117.12 108.19 1m4p n MET 95 Ca 0.12 -0.94 -0.01 0.00 0.00 0.00 0.00 57.70 56.86 1m4p n MET 95 Cb 0.34 -0.53 -0.03 0.00 0.00 0.00 0.00 33.22 33.00 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 -2.03 -0.84 0.26 2.03 2.01 -1.16 -4.93 115.64 110.97 1m4p s THR 96 Ca 0.32 -0.07 -0.31 0.00 0.31 0.00 0.00 61.69 61.93 1m4p s THR 96 Cb -0.01 -0.96 -0.13 0.00 0.01 0.00 0.00 72.50 71.42 1m4p s THR 96 CO 0.22 -0.08 1.49 -0.38 -0.69 0.00 0.00 174.62 175.18 1m4p n ILE 97 N 5.40 0.95 -4.02 1.82 5.41 -1.26 -3.45 119.36 124.21 1m4p n ILE 97 Ca 0.00 -0.24 -0.31 0.00 1.00 0.00 0.00 62.75 63.20 1m4p n ILE 97 Cb 0.51 -1.69 -0.15 0.00 -0.71 0.00 0.00 39.64 37.61 1m4p n ILE 97 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1m4p s LYS 98 N -0.40 1.62 0.17 0.38 2.36 -1.19 -4.96 119.74 117.72 1m4p s LYS 98 Ca 0.67 -1.73 -0.25 0.00 -2.55 0.00 0.00 55.97 52.11 1m4p s LYS 98 Cb -0.58 -3.10 -0.08 0.00 -1.05 0.00 0.00 37.83 33.02 1m4p s LYS 98 CO 0.49 -0.86 0.77 0.95 1.55 0.00 0.00 175.35 178.25 1m4p s THR 99 N 0.97 4.38 0.00 3.43 -4.23 -1.26 -4.39 115.64 114.54 1m4p s THR 99 Ca 0.06 1.68 0.00 0.00 -1.18 0.00 0.00 61.69 62.25 1m4p s THR 99 Cb -0.19 -4.12 0.00 0.00 1.34 0.00 0.00 72.50 69.53 1m4p s THR 99 CO -0.08 0.51 0.00 0.61 -0.54 0.00 0.00 174.62 175.12 1m4p n GLY 100 N 1.54 -1.11 5.00 3.99 0.00 -1.16 -4.91 105.19 108.54 1m4p n GLY 100 Ca -0.06 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.48 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 0.00 -0.07 1.61 5.02 -1.26 -4.47 118.16 118.99 1m4p n LYS 101 Ca 0.00 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.26 1m4p n LYS 101 Cb 0.00 0.00 0.20 0.00 -0.02 0.00 0.00 35.03 35.21 1m4p n LYS 101 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1m4p h HIS 102 N 0.00 0.74 -3.49 2.13 3.86 -1.91 -3.36 115.15 113.13 1m4p h HIS 102 Ca 0.00 -0.10 -0.56 0.00 -1.16 0.00 0.00 60.37 58.55 1m4p h HIS 102 Cb 0.00 -0.20 -0.19 0.00 1.06 0.00 0.00 27.41 28.07 1m4p h HIS 102 CO 0.00 0.71 -0.80 0.08 0.86 0.00 0.00 177.93 178.78 1m4p s VAL 103 N -4.94 1.88 -0.05 2.45 1.01 -1.26 -3.51 120.40 115.98 1m4p s VAL 103 Ca -0.09 -1.82 -0.03 0.00 0.00 0.00 0.00 61.98 60.04 1m4p s VAL 103 Cb 0.15 -1.81 -0.01 0.00 0.00 0.00 0.00 36.38 34.71 1m4p s VAL 103 CO 0.80 -0.20 -0.06 -0.67 0.00 0.00 0.00 175.10 174.96 1m4p n ASP 104 N 0.54 0.57 0.00 3.32 -0.08 -1.06 -2.99 116.55 116.85 1m4p n ASP 104 Ca -0.15 0.33 0.00 0.00 -1.51 0.00 0.00 54.79 53.46 1m4p n ASP 104 Cb 0.56 -0.61 0.00 0.00 2.34 0.00 0.00 41.12 43.41 1m4p n ASP 104 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1m4p n ALA 105 N -2.74 0.00 1.21 -1.67 0.00 -1.26 -4.75 120.51 111.30 1m4p n ALA 105 Ca -0.02 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.55 1m4p n ALA 105 Cb 0.09 0.00 0.57 0.00 0.00 0.00 0.00 19.45 20.12 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 0.25 0.00 0.00 5.15 -1.26 -4.87 115.26 114.53 1m4p n ASN 106 Ca 0.00 -0.10 0.00 0.00 -0.60 0.00 0.00 54.58 53.88 1m4p n ASN 106 Cb 0.00 -0.19 0.00 0.00 -0.53 0.00 0.00 39.78 39.06 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 1.39 1.00 3.53 8.20 0.00 -1.26 -4.92 105.19 113.13 1m4p n GLY 107 Ca 0.10 -0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.50 3.30 0.35 1.61 -2.85 -1.26 0.03 119.74 120.42 1m4p s LYS 108 Ca 0.00 -0.53 -0.29 0.00 -1.00 0.00 0.00 55.97 54.15 1m4p s LYS 108 Cb 0.00 -2.78 -0.11 0.00 -2.06 0.00 0.00 37.83 32.88 1m4p s LYS 108 CO 0.00 0.42 1.53 0.42 0.10 0.00 0.00 175.35 177.82 1m4p s ILE 109 N -0.13 2.04 -0.76 3.79 1.01 -1.07 -2.56 121.20 123.53 1m4p s ILE 109 Ca 0.02 0.04 0.03 0.00 0.00 0.00 0.00 60.65 60.74 1m4p s ILE 109 Cb -0.13 -3.03 0.30 0.00 0.01 0.00 0.00 42.46 39.61 1m4p s ILE 109 CO 0.03 0.01 1.09 0.00 0.00 0.00 0.00 174.94 176.07 1m4p n TYR 110 N 1.10 3.40 -3.84 3.97 9.36 -1.23 -4.86 117.16 125.06 1m4p n TYR 110 Ca 0.04 -3.60 -0.12 0.00 3.32 0.00 0.00 57.90 57.53 1m4p n TYR 110 Cb 0.38 -0.75 -0.12 0.00 -0.63 0.00 0.00 39.34 38.22 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 -3.09 1.50 -0.16 2.98 1.43 -1.26 -4.75 118.68 115.33 1m4p s LEU 111 Ca 0.41 0.14 -0.05 0.00 -1.03 0.00 0.00 54.13 53.60 1m4p s LEU 111 Cb 0.17 0.53 -0.19 0.00 0.03 0.00 0.00 46.19 46.73 1m4p s LEU 111 CO -0.04 -0.14 2.81 -0.81 0.23 0.00 0.00 176.35 178.40 1m4p n PRO 112 N 2.57 1.67 -0.33 1.29 -0.04 -1.26 -4.62 135.00 134.28 1m4p n PRO 112 Ca -0.15 -0.88 0.06 0.00 -0.04 0.00 0.00 63.50 62.48 1m4p n PRO 112 Cb 0.58 -1.97 0.15 0.00 -0.04 0.00 0.00 33.50 32.22 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 4.00 -0.42 -0.39 0.54 -1.99 -1.96 1.12 116.97 117.89 1m4p h TYR 113 Ca 0.21 0.08 -0.15 0.00 2.00 0.00 0.00 58.73 60.87 1m4p h TYR 113 Cb 1.02 0.33 -0.01 0.00 2.00 0.00 0.00 36.73 40.08 1m4p h TYR 113 CO 1.64 -0.40 -0.35 1.25 -0.00 0.00 0.00 178.16 180.30 1m4p h LEU 114 N 0.01 0.94 -3.45 3.88 5.85 -1.93 -2.78 115.31 117.83 1m4p h LEU 114 Ca 0.47 -0.41 -0.36 0.00 0.84 0.00 0.00 57.88 58.41 1m4p h LEU 114 Cb 0.76 -0.26 -0.17 0.00 0.37 0.00 0.00 40.66 41.35 1m4p h LEU 114 CO -0.94 1.19 0.47 1.57 -0.34 0.00 0.00 178.44 180.38 1m4p n HIS 115 N -4.07 1.84 0.00 1.25 -0.00 0.34 -4.21 115.22 110.37 1m4p n HIS 115 Ca -0.02 -1.90 0.00 0.00 0.46 0.00 0.00 57.72 56.26 1m4p n HIS 115 Cb 0.52 -0.93 0.00 0.00 -0.12 0.00 0.00 29.99 29.46 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 -0.06 0.00 0.00 1.57 1.02 0.16 -4.84 120.64 118.49 1m4p n GLU 116 Ca 0.36 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.50 1m4p n GLU 116 Cb 0.77 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.19 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 -0.35 0.00 -4.44 -0.32 -0.00 -1.19 -4.82 117.44 106.32 1m4p n TRP 117 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 57.50 57.09 1m4p n TRP 117 Cb 0.00 -0.01 -0.08 0.00 -0.00 0.00 0.00 31.31 31.23 1m4p n TRP 117 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 177.69 178.05 1m4p n LYS 118 N -0.52 -0.76 -0.21 5.87 2.85 -1.26 -4.75 118.16 119.38 1m4p n LYS 118 Ca 0.00 0.13 0.00 0.00 -1.05 0.00 0.00 58.31 57.40 1m4p n LYS 118 Cb 0.00 -4.61 0.12 0.00 -0.65 0.00 0.00 35.03 29.89 1m4p n LYS 118 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 177.40 178.60 1m4p h HIS 119 N -0.83 0.40 -0.01 5.58 2.76 -1.93 -3.45 115.15 117.65 1m4p h HIS 119 Ca -0.57 0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 57.56 1m4p h HIS 119 Cb 1.35 -0.08 0.00 0.00 1.55 0.00 0.00 27.41 30.23 1m4p h HIS 119 CO 0.70 0.09 -0.24 -1.00 -1.30 0.00 0.00 177.93 176.18 1m4p h PRO 120 N 0.41 0.18 0.00 5.26 0.13 -2.00 -3.49 132.00 132.49 1m4p h PRO 120 Ca 0.32 -0.18 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1m4p h PRO 120 Cb 0.41 0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.58 1m4p h PRO 120 CO -0.32 0.89 0.00 0.94 -0.23 0.00 0.00 178.00 179.28 1m4p n GLN 121 N -4.52 0.00 -0.88 0.86 -0.06 -1.26 -4.80 117.38 106.72 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 0.49 0.00 0.12 0.00 -4.06 0.00 0.00 30.24 26.79 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 0.48 -0.98 -4.12 1.69 2.88 -1.26 -5.03 113.62 107.28 1m4p n SER 122 Ca 0.00 0.42 -0.21 0.00 -1.33 0.00 0.00 58.87 57.75 1m4p n SER 122 Cb 0.00 -1.31 -0.09 0.00 -0.75 0.00 0.00 64.21 62.06 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 -2.08 2.02 0.35 -3.46 1.47 -1.26 -4.93 116.67 108.77 1m4p s ASP 123 Ca 0.63 -1.55 0.14 0.00 1.18 0.00 0.00 52.55 52.94 1m4p s ASP 123 Cb -0.25 0.33 1.12 0.00 -0.34 0.00 0.00 42.92 43.78 1m4p s ASP 123 CO 0.62 -0.84 1.58 0.25 0.68 0.00 0.00 175.17 177.45 1m4p h LEU 124 N 2.08 0.01 0.20 2.11 5.85 -1.96 1.51 115.31 125.12 1m4p h LEU 124 Ca -0.36 0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 1m4p h LEU 124 Cb 1.26 0.35 -0.00 0.00 0.37 0.00 0.00 40.66 42.63 1m4p h LEU 124 CO 0.57 -0.40 -0.12 -0.07 -0.34 0.00 0.00 178.44 178.07 1m4p h LEU 125 N 0.01 -0.30 -0.94 2.25 -0.00 -1.95 -2.35 115.31 112.03 1m4p h LEU 125 Ca 0.75 0.02 -0.07 0.00 -0.00 0.00 0.00 57.88 58.59 1m4p h LEU 125 Cb 1.85 0.09 -0.02 0.00 -0.00 0.00 0.00 40.66 42.58 1m4p h LEU 125 CO -0.83 -0.20 0.04 1.23 -0.00 0.00 0.00 178.44 178.68 1m4p h GLY 126 N -0.31 0.87 -0.13 0.83 0.00 0.12 -0.66 103.07 103.80 1m4p h GLY 126 Ca -0.02 -0.56 0.06 0.00 0.00 0.00 0.00 47.33 46.81 1m4p h GLY 126 CO 0.02 0.52 -0.40 -2.00 0.00 0.00 0.00 176.54 174.68 1m4p h LEU 127 N 0.77 -1.29 -0.97 3.11 6.46 0.16 0.33 115.31 123.88 1m4p h LEU 127 Ca 0.16 0.19 -0.11 0.00 -0.12 0.00 0.00 57.88 58.00 1m4p h LEU 127 Cb 0.41 0.56 -0.01 0.00 -0.73 0.00 0.00 40.66 40.88 1m4p h LEU 127 CO 0.01 -0.38 -0.43 0.40 -0.62 0.00 0.00 178.44 177.43 1m4p h ILE 128 N -0.38 1.32 -0.56 4.05 5.03 -1.30 -2.91 117.51 122.76 1m4p h ILE 128 Ca 0.12 -1.54 0.08 0.00 -0.12 0.00 0.00 64.86 63.39 1m4p h ILE 128 Cb 0.59 1.73 -0.06 0.00 -3.03 0.00 0.00 36.82 36.05 1m4p h ILE 128 CO -0.49 0.46 0.23 -0.61 -0.68 0.00 0.00 178.15 177.05 1m4p h GLN 129 N 0.15 0.41 -0.23 2.37 4.15 0.89 0.61 115.11 123.46 1m4p h GLN 129 Ca 0.01 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.40 1m4p h GLN 129 Cb 0.82 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.41 1m4p h GLN 129 CO 0.06 0.27 0.11 0.28 -1.93 0.00 0.00 178.83 177.63 1m4p h VAL 130 N 0.42 1.13 -0.81 2.39 2.07 -0.30 -1.83 116.25 119.32 1m4p h VAL 130 Ca 0.27 -0.37 0.01 0.00 0.82 0.00 0.00 66.70 67.43 1m4p h VAL 130 Cb 0.29 0.96 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 1m4p h VAL 130 CO -0.26 0.13 0.53 -0.03 0.02 0.00 0.00 177.57 177.97 1m4p h MET 131 N 0.24 1.07 -0.73 1.57 1.85 -1.16 0.39 114.93 118.16 1m4p h MET 131 Ca 0.08 -0.07 0.05 0.00 -0.61 0.00 0.00 59.70 59.15 1m4p h MET 131 Cb 0.10 -0.24 -0.04 0.00 0.43 0.00 0.00 31.60 31.85 1m4p h MET 131 CO -0.01 0.71 0.48 0.82 -0.40 0.00 0.00 176.91 178.51 1m4p h ILE 132 N 1.10 1.07 0.05 1.77 2.04 0.53 1.48 117.51 125.55 1m4p h ILE 132 Ca 0.30 -0.29 -0.27 0.00 1.00 0.00 0.00 64.86 65.60 1m4p h ILE 132 Cb -0.12 0.16 0.02 0.00 -0.74 0.00 0.00 36.82 36.14 1m4p h ILE 132 CO -0.06 0.15 -1.07 0.58 0.00 0.00 0.00 178.15 177.75 1m4p h VAL 133 N 0.83 1.30 -0.01 1.67 2.07 -0.41 -0.47 116.25 121.23 1m4p h VAL 133 Ca 0.30 -2.31 -0.00 0.00 0.82 0.00 0.00 66.70 65.51 1m4p h VAL 133 Cb 0.15 2.54 -0.00 0.00 -1.52 0.00 0.00 31.29 32.46 1m4p h VAL 133 CO -0.09 0.71 0.00 0.58 0.02 0.00 0.00 177.57 178.78 1m4p h VAL 134 N 0.28 1.21 -0.26 2.57 2.07 0.82 -1.29 116.25 121.65 1m4p h VAL 134 Ca -0.15 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 66.75 1m4p h VAL 134 Cb 1.74 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 33.13 1m4p h VAL 134 CO 0.21 0.16 0.00 0.49 0.02 0.00 0.00 177.57 178.45 1m4p n PHE 135 N -4.96 0.90 -0.04 1.57 3.01 0.50 -3.78 117.46 114.66 1m4p n PHE 135 Ca -0.08 -0.32 -0.06 0.00 1.01 0.00 0.00 57.45 58.01 1m4p n PHE 135 Cb 0.15 -0.27 -0.04 0.00 -0.01 0.00 0.00 39.48 39.31 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 0.32 -0.12 0.32 1.37 0.00 -0.19 -4.61 105.19 102.29 1m4p n GLY 136 Ca 0.12 -0.05 -0.12 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.01 -0.66 -2.11 1.61 3.32 -1.34 -3.44 116.42 113.78 1m4p h ASP 137 Ca -0.19 0.02 -0.49 0.00 0.02 0.00 0.00 57.03 56.39 1m4p h ASP 137 Cb 1.28 0.17 -0.04 0.00 0.22 0.00 0.00 39.33 40.97 1m4p h ASP 137 CO -0.03 -0.35 -0.49 -1.61 -1.72 0.00 0.00 179.24 175.04 1m4p s GLU 138 N -4.23 2.97 -0.33 3.56 2.02 -1.25 -5.06 118.70 116.38 1m4p s GLU 138 Ca -0.11 -1.05 -0.29 0.00 0.02 0.00 0.00 54.97 53.53 1m4p s GLU 138 Cb 0.01 -2.61 0.00 0.00 0.10 0.00 0.00 34.13 31.64 1m4p s GLU 138 CO 0.34 0.33 1.37 -1.25 0.02 0.00 0.00 175.26 176.07 1m4p s PRO 139 N -3.91 3.78 0.41 0.39 0.04 -1.26 -4.61 135.00 129.84 1m4p s PRO 139 Ca 0.35 1.17 0.22 0.00 0.04 0.00 0.00 61.00 62.78 1m4p s PRO 139 Cb -0.08 -3.94 0.64 0.00 0.04 0.00 0.00 34.50 31.16 1m4p s PRO 139 CO 0.26 -1.29 1.70 -1.00 0.04 0.00 0.00 177.00 176.71 1m4p h PRO 140 N 9.92 0.00 0.00 0.56 0.13 -1.86 -3.41 132.00 137.34 1m4p h PRO 140 Ca -0.27 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.76 1m4p h PRO 140 Cb 1.10 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.12 1m4p h PRO 140 CO 1.05 0.24 0.01 1.55 -0.23 0.00 0.00 178.00 180.62 1m4p n VAL 141 N -3.27 0.00 -1.74 1.56 3.14 -1.26 -3.15 118.33 113.60 1m4p n VAL 141 Ca 0.01 -0.69 -0.42 0.00 -2.96 0.00 0.00 64.34 60.28 1m4p n VAL 141 Cb 0.52 1.10 -0.00 0.00 -1.06 0.00 0.00 33.84 34.39 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 0.85 2.72 -3.50 1.45 1.16 -1.22 -4.23 117.46 114.69 1m4p n PHE 142 Ca -0.03 0.46 -0.22 0.00 -1.87 0.00 0.00 57.45 55.79 1m4p n PHE 142 Cb 0.74 -2.50 0.01 0.00 -1.61 0.00 0.00 39.48 36.12 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 -0.12 4.93 0.72 5.98 0.15 -1.26 -3.01 113.70 121.09 1m4p s SER 143 Ca 0.55 -0.96 -0.08 0.00 0.70 0.00 0.00 55.95 56.16 1m4p s SER 143 Cb -0.51 0.09 0.05 0.00 -1.71 0.00 0.00 66.02 63.94 1m4p s SER 143 CO 0.61 -1.05 1.05 -0.13 1.20 0.00 0.00 173.24 174.92 1m4p s ARG 144 N -4.37 2.30 0.00 5.44 0.52 -1.25 -5.00 118.95 116.58 1m4p s ARG 144 Ca 0.47 -0.06 0.24 0.00 -0.52 0.00 0.00 55.73 55.86 1m4p s ARG 144 Cb -0.04 -2.11 1.43 0.00 0.52 0.00 0.00 34.95 34.75 1m4p s ARG 144 CO 0.29 -1.24 1.80 -0.35 0.02 0.00 0.00 175.30 175.82