#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hfd n SER 2 N 0.00 6.43 -3.58 6.12 2.88 -1.26 -4.66 113.62 119.55 2hfd n SER 2 Ca 0.00 -3.32 -0.11 0.00 -1.33 0.00 0.00 58.87 54.11 2hfd n SER 2 Cb 0.00 -1.33 -0.05 0.00 -0.75 0.00 0.00 64.21 62.07 2hfd n SER 2 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 2hfd s ASN 3 N -0.55 -0.39 0.00 -3.46 2.47 -1.26 -4.75 114.94 107.00 2hfd s ASN 3 Ca 0.39 0.46 0.00 0.00 0.42 0.00 0.00 52.86 54.12 2hfd s ASN 3 Cb 0.11 0.36 0.00 0.00 -1.45 0.00 0.00 41.25 40.27 2hfd s ASN 3 CO 0.00 -0.34 0.00 -0.67 -3.72 0.00 0.00 177.10 172.37 2hfd n ASP 4 N 0.85 -2.00 0.20 -4.21 2.03 -1.26 -4.47 116.55 107.68 2hfd n ASP 4 Ca -0.11 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.20 2hfd n ASP 4 Cb 0.58 -1.46 0.00 0.00 -0.72 0.00 0.00 41.12 39.51 2hfd n ASP 4 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2hfd n THR 5 N -2.25 0.00 0.09 5.18 -1.04 -1.26 -4.87 114.28 110.13 2hfd n THR 5 Ca 0.00 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.97 2hfd n THR 5 Cb 0.10 -0.19 -0.02 0.00 -1.82 0.00 0.00 70.33 68.41 2hfd n THR 5 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 2hfd h PRO 6 N 0.00 -0.25 -0.49 -2.82 0.11 -1.83 0.96 132.00 127.69 2hfd h PRO 6 Ca 0.00 0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.12 2hfd h PRO 6 Cb 0.00 0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.14 2hfd h PRO 6 CO 0.00 -0.16 0.28 0.35 -0.21 0.00 0.00 178.00 178.25 2hfd h PHE 7 N -0.38 0.64 0.33 0.65 3.57 -1.91 -1.24 116.94 118.60 2hfd h PHE 7 Ca -0.03 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.46 2hfd h PHE 7 Cb 0.20 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.73 2hfd h PHE 7 CO 0.10 0.44 -0.16 0.22 -2.23 0.00 0.00 178.31 176.68 2hfd h ASP 8 N 0.67 -0.38 -0.42 0.41 3.58 -1.89 0.15 116.42 118.54 2hfd h ASP 8 Ca 0.17 -0.03 -0.07 0.00 0.42 0.00 0.00 57.03 57.52 2hfd h ASP 8 Cb 0.00 0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.13 2hfd h ASP 8 CO -0.03 -0.21 -0.02 0.00 -2.88 0.00 0.00 179.24 176.10 2hfd h ALA 9 N 0.13 0.57 -0.74 -0.78 0.00 -0.64 -0.34 119.26 117.46 2hfd h ALA 9 Ca -0.05 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 2hfd h ALA 9 Cb 0.39 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 2hfd h ALA 9 CO 0.07 0.37 0.44 -0.07 0.00 0.00 0.00 179.25 180.07 2hfd h LEU 10 N 0.58 0.89 -0.10 0.00 -0.00 -1.15 0.30 115.31 115.83 2hfd h LEU 10 Ca 0.12 -0.05 -0.01 0.00 -0.00 0.00 0.00 57.88 57.94 2hfd h LEU 10 Cb 0.51 -0.22 -0.00 0.00 -0.00 0.00 0.00 40.66 40.94 2hfd h LEU 10 CO 0.02 0.68 0.03 -0.25 -0.00 0.00 0.00 178.44 178.93 2hfd h TRP 11 N 1.02 0.17 -0.24 1.13 7.01 -0.39 -2.22 115.95 122.42 2hfd h TRP 11 Ca 0.27 -0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.25 2hfd h TRP 11 Cb -0.04 -0.05 -0.01 0.00 -2.10 0.00 0.00 29.16 26.96 2hfd h TRP 11 CO 0.00 0.31 0.13 1.96 -2.79 0.00 0.00 178.44 178.05 2hfd h GLN 12 N -0.02 0.32 0.28 2.65 4.20 -0.31 0.11 115.11 122.34 2hfd h GLN 12 Ca 0.03 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 2hfd h GLN 12 Cb 0.22 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 27.92 2hfd h GLN 12 CO -0.00 0.24 -0.17 0.00 -0.67 0.00 0.00 178.83 178.23 2hfd h ARG 13 N 0.33 -0.42 -0.30 1.46 2.47 -0.12 -1.49 114.38 116.32 2hfd h ARG 13 Ca 0.09 0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 58.81 2hfd h ARG 13 Cb 0.01 0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 28.41 2hfd h ARG 13 CO -0.02 -0.28 0.08 0.52 0.56 0.00 0.00 179.97 180.83 2hfd h MET 14 N -0.44 0.42 -0.90 0.04 2.86 -0.73 -1.60 114.93 114.58 2hfd h MET 14 Ca -0.03 -0.06 0.02 0.00 -2.06 0.00 0.00 59.70 57.57 2hfd h MET 14 Cb 0.36 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 31.89 2hfd h MET 14 CO 0.03 0.39 0.60 -0.07 1.06 0.00 0.00 176.91 178.92 2hfd h LEU 15 N 0.42 1.02 -1.44 1.22 -0.00 -0.45 -1.88 115.31 114.19 2hfd h LEU 15 Ca 0.10 -0.02 -0.06 0.00 -0.00 0.00 0.00 57.88 57.91 2hfd h LEU 15 Cb 0.16 -0.25 -0.01 0.00 -0.00 0.00 0.00 40.66 40.56 2hfd h LEU 15 CO -0.00 0.72 -0.26 0.00 -0.00 0.00 0.00 178.44 178.89 2hfd h ALA 16 N 1.45 1.27 0.00 1.53 0.00 -0.26 -1.80 119.26 121.45 2hfd h ALA 16 Ca 0.34 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2hfd h ALA 16 Cb -0.08 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2hfd h ALA 16 CO -0.09 0.33 0.00 0.54 0.00 0.00 0.00 179.25 180.03 2hfd n ARG 17 N -3.80 0.29 -0.17 0.00 5.12 -0.72 -4.86 116.66 112.52 2hfd n ARG 17 Ca -0.01 0.07 0.00 0.00 -1.93 0.00 0.00 57.85 55.97 2hfd n ARG 17 Cb 0.36 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.16 2hfd n ARG 17 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2hfd n GLY 18 N 0.74 0.91 3.63 -0.13 0.00 -0.68 -5.05 105.19 104.61 2hfd n GLY 18 Ca 0.10 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 2hfd n GLY 18 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2hfd s TRP 19 N -2.00 3.28 0.12 1.61 0.51 -1.11 -5.04 118.94 116.31 2hfd s TRP 19 Ca 0.00 0.82 -0.26 0.00 -2.12 0.00 0.00 56.10 54.55 2hfd s TRP 19 Cb 0.00 -2.85 -0.07 0.00 -0.81 0.00 0.00 33.47 29.74 2hfd s TRP 19 CO 0.00 -0.33 0.80 0.95 -0.51 0.00 0.00 176.95 177.86 2hfd s THR 20 N 2.52 4.51 0.46 2.01 -4.23 -1.25 -4.26 115.64 115.40 2hfd s THR 20 Ca 0.26 1.73 -0.21 0.00 -1.18 0.00 0.00 61.69 62.30 2hfd s THR 20 Cb -0.15 -4.16 -0.09 0.00 1.34 0.00 0.00 72.50 69.43 2hfd s THR 20 CO 0.08 0.44 1.00 -2.16 -0.54 0.00 0.00 174.62 173.44 2hfd s PRO 21 N -0.59 3.98 0.07 3.99 0.04 -1.25 -1.23 135.00 140.02 2hfd s PRO 21 Ca 0.38 1.27 -0.19 0.00 0.04 0.00 0.00 61.00 62.51 2hfd s PRO 21 Cb -0.22 -2.15 0.04 0.00 0.04 0.00 0.00 34.50 32.21 2hfd s PRO 21 CO 0.26 -0.26 0.44 0.54 0.04 0.00 0.00 177.00 178.01 2hfd s VAL 22 N -2.04 0.05 0.34 -0.36 0.11 -0.25 -4.89 120.40 113.36 2hfd s VAL 22 Ca 0.65 -0.44 0.05 0.00 -2.93 0.00 0.00 61.98 59.32 2hfd s VAL 22 Cb -0.14 -1.01 -0.01 0.00 -1.53 0.00 0.00 36.38 33.69 2hfd s VAL 22 CO 0.17 -0.24 0.49 -0.94 -3.33 0.00 0.00 175.10 171.25 2hfd s SER 23 N -2.23 6.00 0.24 3.54 1.04 -1.26 -4.18 113.70 116.85 2hfd s SER 23 Ca -0.03 -0.09 -0.05 0.00 0.48 0.00 0.00 55.95 56.26 2hfd s SER 23 Cb -0.00 -1.35 0.38 0.00 0.10 0.00 0.00 66.02 65.15 2hfd s SER 23 CO -0.05 -0.43 1.81 -0.08 0.98 0.00 0.00 173.24 175.47 2hfd h GLU 24 N 0.86 0.73 -0.01 4.02 4.81 -1.97 0.23 114.58 123.25 2hfd h GLU 24 Ca -0.47 -0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 58.58 2hfd h GLU 24 Cb 1.25 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.45 2hfd h GLU 24 CO 0.54 0.49 -0.67 0.77 -0.73 0.00 0.00 179.01 179.41 2hfd h SER 25 N 0.76 0.04 1.24 1.04 0.02 -1.99 -3.12 113.55 111.54 2hfd h SER 25 Ca 0.38 -0.03 -0.08 0.00 -0.84 0.00 0.00 61.79 61.23 2hfd h SER 25 Cb 0.35 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 2hfd h SER 25 CO -0.25 0.70 -0.79 0.03 -1.14 0.00 0.00 176.83 175.38 2hfd h ARG 26 N 0.02 0.00 -0.90 3.45 2.47 -1.67 -3.25 114.38 114.50 2hfd h ARG 26 Ca -0.01 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.71 2hfd h ARG 26 Cb 1.19 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.46 2hfd h ARG 26 CO 0.09 0.23 0.55 1.25 0.56 0.00 0.00 179.97 182.66 2hfd h LEU 27 N 0.00 1.07 -1.50 3.04 7.12 -0.53 -1.61 115.31 122.89 2hfd h LEU 27 Ca -0.05 -0.05 -0.03 0.00 0.13 0.00 0.00 57.88 57.88 2hfd h LEU 27 Cb 1.28 -0.27 -0.01 0.00 -0.53 0.00 0.00 40.66 41.13 2hfd h LEU 27 CO 0.03 0.81 0.04 -0.78 -0.13 0.00 0.00 178.44 178.41 2hfd h ASP 28 N 1.23 0.33 0.31 1.25 3.58 -1.59 0.10 116.42 121.64 2hfd h ASP 28 Ca 0.32 -0.04 -0.02 0.00 0.42 0.00 0.00 57.03 57.72 2hfd h ASP 28 Cb -0.07 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 40.89 2hfd h ASP 28 CO -0.06 0.36 -0.15 -0.78 -2.88 0.00 0.00 179.24 175.72 2hfd h ASP 29 N 0.36 -0.36 -0.37 2.28 3.58 -1.42 -1.99 116.42 118.49 2hfd h ASP 29 Ca 0.09 -0.19 -0.01 0.00 0.42 0.00 0.00 57.03 57.35 2hfd h ASP 29 Cb 0.18 0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.30 2hfd h ASP 29 CO -0.00 0.05 0.22 -0.50 -2.88 0.00 0.00 179.24 176.13 2hfd h TRP 30 N -0.84 0.51 -0.53 0.28 4.06 -1.23 -2.19 115.95 116.02 2hfd h TRP 30 Ca -0.04 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.87 2hfd h TRP 30 Cb 0.52 -0.17 -0.02 0.00 -1.00 0.00 0.00 29.16 28.49 2hfd h TRP 30 CO 0.03 0.36 0.17 1.25 -3.56 0.00 0.00 178.44 176.69 2hfd h LEU 31 N 0.54 0.77 -0.64 -4.49 5.85 -0.70 -2.57 115.31 114.06 2hfd h LEU 31 Ca 0.14 -0.21 -0.10 0.00 0.84 0.00 0.00 57.88 58.56 2hfd h LEU 31 Cb 0.00 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 2hfd h LEU 31 CO -0.02 0.77 -0.46 0.00 -0.34 0.00 0.00 178.44 178.38 2hfd h THR 32 N 0.73 0.97 -0.36 1.05 1.03 -0.94 -3.12 112.91 112.26 2hfd h THR 32 Ca 0.17 -1.86 -0.04 0.00 -0.01 0.00 0.00 66.41 64.68 2hfd h THR 32 Cb 0.27 2.12 -0.01 0.00 -1.07 0.00 0.00 68.15 69.46 2hfd h THR 32 CO -0.01 0.46 0.09 1.56 -0.01 0.00 0.00 175.52 177.61 2hfd h GLN 33 N 0.00 0.58 -6.77 0.00 4.20 -1.14 -3.44 115.11 108.53 2hfd h GLN 33 Ca -0.00 -0.14 -0.48 0.00 0.06 0.00 0.00 58.65 58.09 2hfd h GLN 33 Cb 1.08 -0.08 0.03 0.00 0.30 0.00 0.00 27.48 28.82 2hfd h GLN 33 CO 0.06 0.62 -0.02 0.00 -0.67 0.00 0.00 178.83 178.82 2hfd s ALA 34 N -5.30 3.57 0.04 3.87 0.00 -0.99 -5.02 121.76 117.92 2hfd s ALA 34 Ca -0.13 -0.79 -0.20 0.00 0.00 0.00 0.00 51.96 50.84 2hfd s ALA 34 Cb 0.09 -2.33 -0.15 0.00 0.00 0.00 0.00 23.12 20.73 2hfd s ALA 34 CO 0.76 -0.32 1.30 -1.35 0.00 0.00 0.00 175.76 176.15 2hfd h PRO 35 N 0.37 0.40 0.00 0.00 0.11 -1.81 -3.47 132.00 127.60 2hfd h PRO 35 Ca -0.47 -0.25 -0.23 0.00 0.11 0.00 0.00 66.00 65.16 2hfd h PRO 35 Cb 1.23 0.03 -0.05 0.00 0.11 0.00 0.00 31.00 32.31 2hfd h PRO 35 CO 0.60 0.84 -0.11 -0.25 -0.21 0.00 0.00 178.00 178.87 2hfd n ASP 36 N -4.47 -1.19 0.00 -2.05 8.00 -1.26 -4.16 116.55 111.42 2hfd n ASP 36 Ca -0.07 -2.60 0.00 0.00 0.71 0.00 0.00 54.79 52.84 2hfd n ASP 36 Cb 0.43 2.21 0.00 0.00 -0.02 0.00 0.00 41.12 43.74 2hfd n ASP 36 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2hfd n GLY 37 N -0.49 -1.14 2.85 0.44 0.00 -1.26 -1.60 105.19 103.99 2hfd n GLY 37 Ca 0.00 -0.85 -0.14 0.00 0.00 0.00 0.00 46.02 45.03 2hfd n GLY 37 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2hfd s VAL 38 N -3.00 0.06 -0.06 1.61 -7.23 0.03 -1.54 120.40 110.27 2hfd s VAL 38 Ca 0.00 0.04 0.04 0.00 -1.81 0.00 0.00 61.98 60.26 2hfd s VAL 38 Cb 0.00 -0.11 -0.00 0.00 0.56 0.00 0.00 36.38 36.83 2hfd s VAL 38 CO 0.00 0.06 -0.19 -0.69 -0.31 0.00 0.00 175.10 173.97 2hfd s VAL 39 N 0.43 1.63 -0.14 1.32 1.01 -0.57 -2.16 120.40 121.92 2hfd s VAL 39 Ca -0.04 -0.80 -0.14 0.00 0.00 0.00 0.00 61.98 61.00 2hfd s VAL 39 Cb -0.06 -1.41 -0.05 0.00 0.00 0.00 0.00 36.38 34.87 2hfd s VAL 39 CO -0.01 0.46 0.31 -0.76 0.00 0.00 0.00 175.10 175.10 2hfd s LEU 40 N 0.18 4.27 -0.27 3.92 1.02 -1.20 -0.14 118.68 126.45 2hfd s LEU 40 Ca -0.09 0.56 -0.07 0.00 0.02 0.00 0.00 54.13 54.55 2hfd s LEU 40 Cb -0.14 -2.40 -0.01 0.00 0.02 0.00 0.00 46.19 43.67 2hfd s LEU 40 CO 0.04 0.13 0.07 -0.22 0.02 0.00 0.00 176.35 176.39 2hfd s LEU 41 N 0.27 3.62 -0.11 1.79 0.20 0.85 -4.36 118.68 120.94 2hfd s LEU 41 Ca 0.18 -0.49 -0.00 0.00 0.69 0.00 0.00 54.13 54.50 2hfd s LEU 41 Cb -0.13 -1.89 -0.02 0.00 -0.43 0.00 0.00 46.19 43.72 2hfd s LEU 41 CO 0.05 -0.12 -0.10 -0.44 -0.29 0.00 0.00 176.35 175.45 2hfd s SER 42 N 1.54 4.28 0.00 3.68 0.01 -1.26 -1.69 113.70 120.27 2hfd s SER 42 Ca 0.04 -0.21 0.00 0.00 1.31 0.00 0.00 55.95 57.09 2hfd s SER 42 Cb -0.16 -1.44 0.00 0.00 0.21 0.00 0.00 66.02 64.63 2hfd s SER 42 CO 0.02 0.23 0.00 -0.24 0.41 0.00 0.00 173.24 173.66 2hfd n SER 43 N 3.10 0.00 -4.64 2.44 2.88 -1.26 -4.49 113.62 111.64 2hfd n SER 43 Ca -0.18 -0.68 -0.43 0.00 -1.33 0.00 0.00 58.87 56.25 2hfd n SER 43 Cb 0.53 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.96 2hfd n SER 43 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 2hfd s ASP 44 N -0.05 6.70 -0.04 -3.46 1.47 -1.26 -4.77 116.67 115.26 2hfd s ASP 44 Ca 0.00 1.59 -0.03 0.00 1.18 0.00 0.00 52.55 55.29 2hfd s ASP 44 Cb 0.00 -2.54 -0.04 0.00 -0.34 0.00 0.00 42.92 40.00 2hfd s ASP 44 CO 0.00 -0.99 0.13 -2.16 0.68 0.00 0.00 175.17 172.83 2hfd s PRO 45 N 4.03 3.31 -0.05 2.11 0.04 -1.26 -4.73 135.00 138.44 2hfd s PRO 45 Ca 0.61 -0.32 0.10 0.00 0.04 0.00 0.00 61.00 61.43 2hfd s PRO 45 Cb -0.22 -3.04 -0.14 0.00 0.04 0.00 0.00 34.50 31.14 2hfd s PRO 45 CO 0.22 0.70 0.14 1.17 0.04 0.00 0.00 177.00 179.27 2hfd n LYS 46 N 1.37 1.28 0.01 4.56 0.00 -1.26 -4.56 118.16 119.56 2hfd n LYS 46 Ca -0.14 -0.05 -0.18 0.00 0.00 0.00 0.00 58.31 57.93 2hfd n LYS 46 Cb 0.53 -1.25 -0.11 0.00 0.00 0.00 0.00 35.03 34.21 2hfd n LYS 46 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.40 177.31 2hfd h ARG 47 N 0.00 0.45 -5.98 1.64 9.65 -2.01 -3.44 114.38 114.69 2hfd h ARG 47 Ca -0.12 -0.48 -0.61 0.00 -1.10 0.00 0.00 59.98 57.67 2hfd h ARG 47 Cb 1.00 0.13 -0.06 0.00 -1.39 0.00 0.00 29.97 29.65 2hfd h ARG 47 CO 0.01 1.13 -0.21 0.99 2.80 0.00 0.00 179.97 184.69 2hfd s THR 48 N -3.24 5.05 0.03 0.20 2.01 -1.26 -5.03 115.64 113.40 2hfd s THR 48 Ca -0.13 0.83 -0.06 0.00 0.31 0.00 0.00 61.69 62.64 2hfd s THR 48 Cb 0.04 -3.71 -0.02 0.00 0.01 0.00 0.00 72.50 68.82 2hfd s THR 48 CO 0.83 0.56 1.11 -0.65 -0.69 0.00 0.00 174.62 175.78 2hfd h PRO 49 N 4.88 -0.02 0.00 4.92 0.11 -1.87 -3.41 132.00 136.61 2hfd h PRO 49 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2hfd h PRO 49 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2hfd h PRO 49 CO 0.63 -0.01 0.00 -0.85 -0.21 0.00 0.00 178.00 177.55 2hfd n GLU 50 N -3.38 0.00 0.00 1.05 0.00 -1.26 -4.89 120.64 112.16 2hfd n GLU 50 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 2hfd n GLU 50 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.49 2hfd n GLU 50 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 2hfd n VAL 51 N -2.86 0.00 0.29 3.84 0.31 -1.26 -4.57 118.33 114.07 2hfd n VAL 51 Ca 0.00 0.00 0.17 0.00 -0.01 0.00 0.00 64.34 64.50 2hfd n VAL 51 Cb 0.00 0.00 0.66 0.00 -0.91 0.00 0.00 33.84 33.59 2hfd n VAL 51 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 2hfd h SER 52 N 0.00 0.00 -2.63 4.52 0.87 -1.97 -3.38 113.55 110.96 2hfd h SER 52 Ca 0.00 0.00 -0.66 0.00 -1.23 0.00 0.00 61.79 59.90 2hfd h SER 52 Cb 0.00 0.00 -0.16 0.00 -0.44 0.00 0.00 62.40 61.80 2hfd h SER 52 CO 0.00 0.00 0.55 -1.81 -0.53 0.00 0.00 176.83 175.04 2hfd s ASP 53 N -5.57 6.30 0.13 6.23 1.01 -1.26 -5.01 116.67 118.51 2hfd s ASP 53 Ca 0.02 -1.37 0.08 0.00 0.71 0.00 0.00 52.55 51.98 2hfd s ASP 53 Cb 0.09 -2.39 -0.04 0.00 1.01 0.00 0.00 42.92 41.59 2hfd s ASP 53 CO 0.53 -1.28 -0.18 0.54 0.21 0.00 0.00 175.17 175.00 2hfd s ASN 54 N 3.65 2.41 -0.80 0.27 4.22 -1.26 -5.00 114.94 118.43 2hfd s ASN 54 Ca 0.23 -0.79 -0.26 0.00 -2.14 0.00 0.00 52.86 49.91 2hfd s ASN 54 Cb -0.15 -0.12 0.04 0.00 1.28 0.00 0.00 41.25 42.30 2hfd s ASN 54 CO 0.04 -0.04 1.29 -2.16 -2.04 0.00 0.00 177.10 174.19 2hfd s PRO 55 N -2.47 3.28 -0.05 3.55 0.04 -1.26 -4.79 135.00 133.29 2hfd s PRO 55 Ca 0.10 -0.51 0.16 0.00 0.04 0.00 0.00 61.00 60.80 2hfd s PRO 55 Cb -0.07 -4.46 -0.21 0.00 0.04 0.00 0.00 34.50 29.80 2hfd s PRO 55 CO 0.05 -2.13 0.52 0.28 0.04 0.00 0.00 177.00 175.76 2hfd n VAL 56 N 6.45 1.26 0.31 -0.36 0.31 -1.26 -4.11 118.33 120.92 2hfd n VAL 56 Ca 0.10 -0.75 0.18 0.00 -0.01 0.00 0.00 64.34 63.85 2hfd n VAL 56 Cb 0.49 -0.68 1.00 0.00 -0.91 0.00 0.00 33.84 33.74 2hfd n VAL 56 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2hfd h MET 57 N 0.00 0.00 -0.90 5.55 -0.00 -2.02 -1.72 114.93 115.84 2hfd h MET 57 Ca -0.30 0.00 0.18 0.00 -0.00 0.00 0.00 59.70 59.59 2hfd h MET 57 Cb 1.85 0.00 -0.07 0.00 -0.00 0.00 0.00 31.60 33.38 2hfd h MET 57 CO 0.05 0.02 0.58 0.82 -0.00 0.00 0.00 176.91 178.38 2hfd h ILE 58 N 0.00 0.73 -0.64 -0.10 1.08 -1.98 -1.41 117.51 115.18 2hfd h ILE 58 Ca -0.00 -0.17 -0.01 0.00 -0.39 0.00 0.00 64.86 64.29 2hfd h ILE 58 Cb 0.08 0.18 -0.03 0.00 -3.07 0.00 0.00 36.82 33.98 2hfd h ILE 58 CO 0.00 0.09 0.36 1.23 -0.69 0.00 0.00 178.15 179.14 2hfd h GLY 59 N 0.50 0.95 1.97 5.37 0.00 -1.59 -1.26 103.07 109.02 2hfd h GLY 59 Ca 0.47 -0.42 -0.10 0.00 0.00 0.00 0.00 47.33 47.27 2hfd h GLY 59 CO -0.20 0.41 -0.46 0.83 0.00 0.00 0.00 176.54 177.12 2hfd h GLU 60 N 0.87 0.03 0.10 4.80 4.39 -1.45 -3.15 114.58 120.18 2hfd h GLU 60 Ca 0.23 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.90 2hfd h GLU 60 Cb 0.03 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 2hfd h GLU 60 CO -0.04 0.49 -0.05 1.25 -1.16 0.00 0.00 179.01 179.50 2hfd h LEU 61 N 0.03 -0.12 -2.24 1.33 5.85 -0.93 -3.27 115.31 115.97 2hfd h LEU 61 Ca -0.00 -0.46 0.02 0.00 0.84 0.00 0.00 57.88 58.28 2hfd h LEU 61 Cb 0.82 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.88 2hfd h LEU 61 CO 0.06 0.46 0.05 -0.07 -0.34 0.00 0.00 178.44 178.61 2hfd h LEU 62 N -0.76 0.00 -1.12 2.25 4.07 -1.28 -2.87 115.31 115.59 2hfd h LEU 62 Ca -0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.95 2hfd h LEU 62 Cb 0.56 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.30 2hfd h LEU 62 CO 0.02 0.00 0.14 0.54 -1.08 0.00 0.00 178.44 178.06 2hfd n ARG 63 N -4.12 0.11 0.00 1.13 5.12 -1.19 -1.36 116.66 116.35 2hfd n ARG 63 Ca -0.02 0.60 0.09 0.00 -1.93 0.00 0.00 57.85 56.59 2hfd n ARG 63 Cb 0.15 -2.00 0.42 0.00 -1.16 0.00 0.00 32.46 29.87 2hfd n ARG 63 CO 0.00 0.00 0.00 -0.85 -1.93 0.00 0.00 177.63 174.85 2hfd n GLU 64 N -2.13 0.16 -1.94 5.56 0.28 -1.08 -4.80 120.64 116.69 2hfd n GLU 64 Ca -0.01 0.15 -0.42 0.00 -0.16 0.00 0.00 57.16 56.72 2hfd n GLU 64 Cb 0.16 -1.50 -0.03 0.00 1.43 0.00 0.00 31.44 31.50 2hfd n GLU 64 CO 0.00 0.00 0.00 -0.59 -0.16 0.00 0.00 177.13 176.38 2hfd s PHE 65 N -2.73 2.67 -0.10 -1.84 -0.12 -0.47 -4.94 117.98 110.46 2hfd s PHE 65 Ca 0.14 0.45 -0.05 0.00 -0.05 0.00 0.00 56.93 57.41 2hfd s PHE 65 Cb 0.12 -3.94 -0.02 0.00 -0.63 0.00 0.00 43.02 38.55 2hfd s PHE 65 CO 0.29 -3.67 -0.10 -1.00 -0.05 0.00 0.00 175.22 170.69 2hfd h PRO 66 N 7.73 0.00 0.00 1.99 0.14 -1.91 -3.45 132.00 136.50 2hfd h PRO 66 Ca -0.43 0.00 -0.12 0.00 0.14 0.00 0.00 66.00 65.60 2hfd h PRO 66 Cb 1.20 0.00 -0.02 0.00 0.14 0.00 0.00 31.00 32.32 2hfd h PRO 66 CO 0.92 0.00 -1.71 -3.47 0.14 0.00 0.00 178.00 173.89 2hfd n ASP 67 N -4.10 2.10 -4.55 1.44 2.03 -1.26 -4.90 116.55 107.32 2hfd n ASP 67 Ca -0.04 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.85 2hfd n ASP 67 Cb 0.15 1.14 -0.03 0.00 -0.72 0.00 0.00 41.12 41.66 2hfd n ASP 67 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 2hfd s TYR 68 N -2.55 2.60 -0.54 -0.67 2.02 -1.26 -4.97 117.35 111.97 2hfd s TYR 68 Ca -0.05 0.13 -0.28 0.00 -0.37 0.00 0.00 57.07 56.49 2hfd s TYR 68 Cb 0.06 -4.39 0.03 0.00 -0.40 0.00 0.00 41.96 37.25 2hfd s TYR 68 CO 0.50 -1.62 1.21 0.95 -1.57 0.00 0.00 175.55 175.02 2hfd s THR 69 N 4.74 4.04 -0.14 -0.71 -4.23 -1.26 -4.83 115.64 113.25 2hfd s THR 69 Ca 0.36 0.97 -0.29 0.00 -1.18 0.00 0.00 61.69 61.54 2hfd s THR 69 Cb -0.10 -4.65 -0.02 0.00 1.34 0.00 0.00 72.50 69.08 2hfd s THR 69 CO 0.20 -1.22 1.22 0.26 -0.54 0.00 0.00 174.62 174.54 2hfd s TRP 70 N 4.96 3.01 -0.69 3.99 0.52 -1.26 -4.39 118.94 125.08 2hfd s TRP 70 Ca 0.46 1.12 -0.25 0.00 0.02 0.00 0.00 56.10 57.45 2hfd s TRP 70 Cb -0.08 -3.45 0.05 0.00 -1.15 0.00 0.00 33.47 28.84 2hfd s TRP 70 CO 0.27 -1.44 1.13 -1.14 0.02 0.00 0.00 176.95 175.79 2hfd s GLN 71 N 3.06 3.19 -0.45 4.98 2.00 -0.63 -4.89 119.66 126.92 2hfd s GLN 71 Ca 0.54 -0.45 -0.18 0.00 -2.00 0.00 0.00 55.36 53.28 2hfd s GLN 71 Cb -0.22 -4.18 0.04 0.00 0.80 0.00 0.00 33.01 29.45 2hfd s GLN 71 CO 0.16 -1.95 0.48 0.08 -0.50 0.00 0.00 175.29 173.56 2hfd s VAL 72 N 4.92 5.05 -0.03 1.34 1.01 -1.26 -0.79 120.40 130.63 2hfd s VAL 72 Ca 0.30 -0.45 0.03 0.00 0.00 0.00 0.00 61.98 61.86 2hfd s VAL 72 Cb -0.12 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.15 2hfd s VAL 72 CO 0.14 -0.53 -0.13 0.00 0.00 0.00 0.00 175.10 174.58 2hfd s ALA 73 N 2.20 1.20 0.09 5.51 0.00 -0.92 -3.96 121.76 125.88 2hfd s ALA 73 Ca 0.12 -0.51 0.08 0.00 0.00 0.00 0.00 51.96 51.65 2hfd s ALA 73 Cb -0.18 -0.42 -0.04 0.00 0.00 0.00 0.00 23.12 22.48 2hfd s ALA 73 CO 0.13 0.21 -0.17 0.96 0.00 0.00 0.00 175.76 176.88 2hfd s ILE 74 N 0.12 2.88 0.26 0.00 -4.36 -0.36 -3.26 121.20 116.47 2hfd s ILE 74 Ca -0.04 -1.37 0.03 0.00 -0.26 0.00 0.00 60.65 59.02 2hfd s ILE 74 Cb -0.10 -2.29 -0.05 0.00 1.25 0.00 0.00 42.46 41.27 2hfd s ILE 74 CO 0.01 0.18 0.03 0.00 0.24 0.00 0.00 174.94 175.40 2hfd s ALA 75 N -1.07 1.94 1.00 2.27 0.00 -1.26 -1.09 121.76 123.54 2hfd s ALA 75 Ca 0.17 -1.86 -0.11 0.00 0.00 0.00 0.00 51.96 50.16 2hfd s ALA 75 Cb -0.11 0.62 0.19 0.00 0.00 0.00 0.00 23.12 23.83 2hfd s ALA 75 CO 0.09 -0.30 1.10 -0.51 0.00 0.00 0.00 175.76 176.14 2hfd s ASP 76 N -3.35 2.30 0.14 0.00 1.11 -1.26 -4.68 116.67 110.93 2hfd s ASP 76 Ca 0.32 1.88 -0.18 0.00 0.18 0.00 0.00 52.55 54.75 2hfd s ASP 76 Cb 0.07 -2.45 0.01 0.00 1.07 0.00 0.00 42.92 41.62 2hfd s ASP 76 CO 0.11 -3.44 1.73 0.25 1.18 0.00 0.00 175.17 175.01 2hfd h LEU 77 N -2.10 0.00 -1.46 1.23 6.46 -1.99 0.28 115.31 117.73 2hfd h LEU 77 Ca -0.50 0.04 -0.04 0.00 -0.12 0.00 0.00 57.88 57.26 2hfd h LEU 77 Cb 1.29 0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 41.28 2hfd h LEU 77 CO 0.46 0.04 -0.18 -0.33 -0.62 0.00 0.00 178.44 177.81 2hfd h GLU 78 N 0.15 0.00 0.03 1.25 5.08 -1.92 0.53 114.58 119.71 2hfd h GLU 78 Ca 0.12 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2hfd h GLU 78 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2hfd h GLU 78 CO -0.17 0.18 -0.02 1.96 -1.00 0.00 0.00 179.01 179.96 2hfd h GLN 79 N 0.00 -0.04 -0.55 2.33 1.08 -1.58 -2.62 115.11 113.73 2hfd h GLN 79 Ca -0.00 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.14 2hfd h GLN 79 Cb 0.57 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.99 2hfd h GLN 79 CO 0.02 0.64 0.10 0.77 -0.95 0.00 0.00 178.83 179.42 2hfd h SER 80 N -0.87 0.81 -0.61 1.46 0.02 -0.91 -1.53 113.55 111.92 2hfd h SER 80 Ca -0.00 -0.16 0.08 0.00 -0.84 0.00 0.00 61.79 60.86 2hfd h SER 80 Cb 0.71 -0.21 -0.06 0.00 0.14 0.00 0.00 62.40 62.97 2hfd h SER 80 CO 0.01 0.81 0.27 -0.08 -1.14 0.00 0.00 176.83 176.70 2hfd h GLU 81 N 0.82 0.47 -0.28 3.45 4.57 -0.97 -1.05 114.58 121.58 2hfd h GLU 81 Ca 0.17 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.28 2hfd h GLU 81 Cb 0.35 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.82 2hfd h GLU 81 CO 0.00 0.31 0.02 0.00 -1.18 0.00 0.00 179.01 178.16 2hfd h ALA 82 N 1.38 0.38 -0.20 2.92 0.00 -1.02 -1.30 119.26 121.42 2hfd h ALA 82 Ca 0.30 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 55.02 2hfd h ALA 82 Cb 0.31 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 2hfd h ALA 82 CO -0.26 0.10 0.04 0.82 0.00 0.00 0.00 179.25 179.95 2hfd h ILE 83 N 0.28 0.91 0.03 0.00 2.04 -0.70 0.25 117.51 120.32 2hfd h ILE 83 Ca 0.08 -0.04 -0.00 0.00 1.00 0.00 0.00 64.86 65.90 2hfd h ILE 83 Cb 0.39 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 37.25 2hfd h ILE 83 CO 0.01 0.02 -0.02 1.23 0.00 0.00 0.00 178.15 179.40 2hfd h GLY 84 N 0.12 -0.05 0.59 5.37 0.00 -1.22 -2.61 103.07 105.27 2hfd h GLY 84 Ca 0.09 0.02 0.04 0.00 0.00 0.00 0.00 47.33 47.48 2hfd h GLY 84 CO -0.12 -0.02 -0.02 -1.80 0.00 0.00 0.00 176.54 174.58 2hfd h ASP 85 N -0.36 -0.15 0.03 0.19 3.58 -1.00 0.34 116.42 119.05 2hfd h ASP 85 Ca -0.00 0.06 -0.04 0.00 0.42 0.00 0.00 57.03 57.47 2hfd h ASP 85 Cb 0.33 0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.49 2hfd h ASP 85 CO 0.01 -0.04 -0.10 -0.09 -2.88 0.00 0.00 179.24 176.13 2hfd h ARG 86 N 0.04 0.18 0.00 0.28 2.43 -0.55 -3.21 114.38 113.55 2hfd h ARG 86 Ca 0.11 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.15 2hfd h ARG 86 Cb 0.16 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 2hfd h ARG 86 CO -0.21 0.30 -0.59 0.35 -1.51 0.00 0.00 179.97 178.30 2hfd h PHE 87 N 0.18 0.00 0.00 2.20 3.57 -1.00 -3.49 116.94 118.40 2hfd h PHE 87 Ca 0.04 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.54 2hfd h PHE 87 Cb 0.30 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.04 2hfd h PHE 87 CO 0.00 1.04 0.00 0.41 -2.23 0.00 0.00 178.31 177.53 2hfd n GLY 88 N 1.55 0.70 0.00 2.40 0.00 0.05 -5.04 105.19 104.85 2hfd n GLY 88 Ca -0.18 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.92 2hfd n GLY 88 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2hfd n VAL 89 N 0.00 0.00 -0.87 1.61 0.31 -0.84 -5.06 118.33 113.48 2hfd n VAL 89 Ca 0.00 -0.24 0.12 0.00 -0.01 0.00 0.00 64.34 64.20 2hfd n VAL 89 Cb 0.00 0.58 -0.03 0.00 -0.91 0.00 0.00 33.84 33.48 2hfd n VAL 89 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 2hfd n PHE 90 N -1.71 -2.21 -2.71 3.52 7.35 -1.26 -4.58 117.46 115.85 2hfd n PHE 90 Ca 0.00 1.13 -0.42 0.00 -0.76 0.00 0.00 57.45 57.40 2hfd n PHE 90 Cb 0.34 -2.01 -0.03 0.00 0.35 0.00 0.00 39.48 38.13 2hfd n PHE 90 CO 0.00 0.00 0.00 0.50 -0.76 0.00 0.00 176.76 176.50 2hfd s ARG 91 N -2.15 3.40 -0.02 -4.13 3.52 -1.26 -4.64 118.95 113.68 2hfd s ARG 91 Ca 0.00 -1.03 -0.00 0.00 -0.13 0.00 0.00 55.73 54.57 2hfd s ARG 91 Cb 0.00 -4.76 0.02 0.00 -1.56 0.00 0.00 34.95 28.66 2hfd s ARG 91 CO 0.00 -2.01 0.03 -0.06 -0.81 0.00 0.00 175.30 172.45 2hfd s PHE 92 N 4.38 0.01 0.07 5.12 0.08 -1.26 -4.96 117.98 121.42 2hfd s PHE 92 Ca 0.35 0.12 -0.31 0.00 0.12 0.00 0.00 56.93 57.22 2hfd s PHE 92 Cb -0.06 -0.18 -0.06 0.00 -0.57 0.00 0.00 43.02 42.14 2hfd s PHE 92 CO -0.00 -0.08 1.30 -2.14 -0.10 0.00 0.00 175.22 174.21 2hfd s PRO 93 N 0.86 4.36 -0.19 0.24 0.02 -1.26 -4.82 135.00 134.22 2hfd s PRO 93 Ca -0.07 1.92 -0.33 0.00 0.02 0.00 0.00 61.00 62.54 2hfd s PRO 93 Cb -0.10 -3.34 0.14 0.00 0.02 0.00 0.00 34.50 31.22 2hfd s PRO 93 CO -0.02 -0.38 1.18 0.00 -0.33 0.00 0.00 177.00 177.45 2hfd s ALA 94 N 1.28 -2.04 -0.26 -1.55 0.00 -0.68 -4.53 121.76 113.98 2hfd s ALA 94 Ca 0.62 1.61 -0.15 0.00 0.00 0.00 0.00 51.96 54.04 2hfd s ALA 94 Cb -0.33 -0.41 -0.04 0.00 0.00 0.00 0.00 23.12 22.35 2hfd s ALA 94 CO 0.29 -0.50 0.37 0.99 0.00 0.00 0.00 175.76 176.91 2hfd s THR 95 N -2.04 5.18 -0.36 0.00 2.01 0.10 -0.11 115.64 120.43 2hfd s THR 95 Ca 0.07 0.58 -0.18 0.00 0.31 0.00 0.00 61.69 62.47 2hfd s THR 95 Cb -0.01 -3.70 0.00 0.00 0.01 0.00 0.00 72.50 68.80 2hfd s THR 95 CO -0.05 0.17 0.51 -0.76 -0.69 0.00 0.00 174.62 173.81 2hfd s LEU 96 N 1.95 4.40 -0.24 4.42 1.02 0.80 -1.33 118.68 129.70 2hfd s LEU 96 Ca 0.15 -0.11 -0.11 0.00 0.02 0.00 0.00 54.13 54.08 2hfd s LEU 96 Cb -0.16 -2.57 -0.05 0.00 0.02 0.00 0.00 46.19 43.43 2hfd s LEU 96 CO 0.09 -0.51 0.19 0.54 0.02 0.00 0.00 176.35 176.69 2hfd s VAL 97 N 2.39 5.34 -0.10 -1.59 0.11 -1.01 -1.51 120.40 124.03 2hfd s VAL 97 Ca 0.18 0.24 -0.07 0.00 -2.93 0.00 0.00 61.98 59.40 2hfd s VAL 97 Cb -0.15 -3.53 -0.04 0.00 -1.53 0.00 0.00 36.38 31.13 2hfd s VAL 97 CO 0.14 0.33 0.15 -0.36 -3.33 0.00 0.00 175.10 172.03 2hfd s PHE 98 N 1.11 3.59 -0.07 1.54 0.08 -0.59 -3.50 117.98 120.15 2hfd s PHE 98 Ca 0.09 0.51 -0.01 0.00 0.12 0.00 0.00 56.93 57.65 2hfd s PHE 98 Cb -0.14 -1.93 0.03 0.00 -0.57 0.00 0.00 43.02 40.41 2hfd s PHE 98 CO 0.05 0.73 -0.03 0.95 -0.10 0.00 0.00 175.22 176.82 2hfd s THR 99 N -1.07 0.55 -1.62 0.64 -4.23 0.48 -4.17 115.64 106.22 2hfd s THR 99 Ca 0.17 -0.02 0.00 0.00 -1.18 0.00 0.00 61.69 60.65 2hfd s THR 99 Cb -0.12 -0.64 0.00 0.00 1.34 0.00 0.00 72.50 73.07 2hfd s THR 99 CO 0.06 0.27 0.00 0.61 -0.54 0.00 0.00 174.62 175.02 2hfd n GLY 100 N 4.82 0.56 2.84 3.99 0.00 -1.26 -1.15 105.19 114.99 2hfd n GLY 100 Ca -0.13 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.71 2hfd n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hfd n GLY 101 N -0.96 0.96 3.64 -0.02 0.00 -1.26 -5.02 105.19 102.54 2hfd n GLY 101 Ca -0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 2hfd n GLY 101 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2hfd s ASN 102 N -2.96 4.91 -0.40 1.61 0.02 -0.30 -5.04 114.94 112.78 2hfd s ASN 102 Ca 0.00 -0.05 -0.27 0.00 -1.02 0.00 0.00 52.86 51.52 2hfd s ASN 102 Cb 0.00 -1.24 0.02 0.00 0.02 0.00 0.00 41.25 40.05 2hfd s ASN 102 CO 0.00 0.29 1.01 -0.47 0.02 0.00 0.00 177.10 177.96 2hfd s TYR 103 N -1.02 2.99 -0.00 2.20 5.04 -1.26 -0.39 117.35 124.91 2hfd s TYR 103 Ca 0.18 0.78 0.00 0.00 -2.44 0.00 0.00 57.07 55.58 2hfd s TYR 103 Cb -0.11 -3.93 0.00 0.00 0.35 0.00 0.00 41.96 38.27 2hfd s TYR 103 CO 0.08 -0.98 0.62 0.54 -1.34 0.00 0.00 175.55 174.47 2hfd n ARG 104 N 7.16 0.47 -3.74 4.97 1.74 -1.23 -5.01 116.66 121.02 2hfd n ARG 104 Ca 0.09 -0.71 -0.12 0.00 -0.77 0.00 0.00 57.85 56.33 2hfd n ARG 104 Cb 0.48 -0.59 -0.11 0.00 -1.02 0.00 0.00 32.46 31.22 2hfd n ARG 104 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2hfd s GLY 105 N -0.26 -0.26 -0.06 -0.13 0.00 -1.23 -5.03 107.32 100.35 2hfd s GLY 105 Ca 0.00 1.07 0.03 0.00 0.00 0.00 0.00 44.72 45.83 2hfd s GLY 105 CO 0.00 1.02 -0.15 0.54 0.00 0.00 0.00 173.10 174.51 2hfd s VAL 106 N 0.50 1.33 -0.33 1.40 0.11 -1.26 -2.41 120.40 119.75 2hfd s VAL 106 Ca -0.03 -0.63 -0.02 0.00 -2.93 0.00 0.00 61.98 58.38 2hfd s VAL 106 Cb -0.04 -1.17 0.12 0.00 -1.53 0.00 0.00 36.38 33.76 2hfd s VAL 106 CO -0.03 0.39 0.17 -0.76 -3.33 0.00 0.00 175.10 171.54 2hfd s LEU 107 N 0.33 1.01 0.02 2.54 1.43 -0.44 -4.93 118.68 118.63 2hfd s LEU 107 Ca -0.10 -1.79 -0.11 0.00 -1.03 0.00 0.00 54.13 51.10 2hfd s LEU 107 Cb -0.14 -0.46 -0.33 0.00 0.03 0.00 0.00 46.19 45.30 2hfd s LEU 107 CO 0.03 -0.37 0.93 -1.13 0.23 0.00 0.00 176.35 176.04 2hfd h ASN 108 N 7.67 0.68 -0.46 2.29 -1.24 -1.85 0.29 115.58 122.96 2hfd h ASN 108 Ca -0.07 -0.80 0.00 0.00 0.71 0.00 0.00 56.30 56.14 2hfd h ASN 108 Cb 0.99 -0.22 0.00 0.00 0.73 0.00 0.00 38.32 39.82 2hfd h ASN 108 CO 0.37 1.65 0.00 0.61 -1.29 0.00 0.00 177.43 178.76 2hfd n GLY 109 N 1.72 0.90 0.75 1.57 0.00 -1.26 -4.46 105.19 104.41 2hfd n GLY 109 Ca -0.17 -1.96 0.09 0.00 0.00 0.00 0.00 46.02 43.98 2hfd n GLY 109 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2hfd n ILE 110 N 7.41 -0.32 -0.10 -0.61 2.08 -1.26 -5.08 119.36 121.48 2hfd n ILE 110 Ca 0.00 0.41 0.00 0.00 0.56 0.00 0.00 62.75 63.73 2hfd n ILE 110 Cb 0.00 -0.67 -0.00 0.00 -0.75 0.00 0.00 39.64 38.22 2hfd n ILE 110 CO 0.00 0.00 0.00 1.41 0.56 0.00 0.00 176.55 178.52 2hfd n HIS 111 N -3.30 -0.27 -1.84 1.39 8.25 -1.26 -4.94 115.22 113.25 2hfd n HIS 111 Ca -0.04 0.15 -0.40 0.00 -0.26 0.00 0.00 57.72 57.17 2hfd n HIS 111 Cb 0.36 -0.61 0.01 0.00 1.12 0.00 0.00 29.99 30.87 2hfd n HIS 111 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2hfd s PRO 112 N -3.90 3.75 0.44 -0.41 0.04 -1.26 -4.81 135.00 128.85 2hfd s PRO 112 Ca 0.00 2.38 0.18 0.00 0.04 0.00 0.00 61.00 63.60 2hfd s PRO 112 Cb 0.00 -2.68 1.11 0.00 0.04 0.00 0.00 34.50 32.96 2hfd s PRO 112 CO 0.00 -0.76 1.91 2.35 0.04 0.00 0.00 177.00 180.55 2hfd h TRP 113 N 2.41 0.43 -0.98 0.56 -0.00 -1.98 0.18 115.95 116.57 2hfd h TRP 113 Ca -0.51 0.01 0.04 0.00 -0.00 0.00 0.00 58.89 58.44 2hfd h TRP 113 Cb 1.26 -0.14 -0.06 0.00 -0.00 0.00 0.00 29.16 30.23 2hfd h TRP 113 CO 0.51 0.15 0.64 0.00 -0.00 0.00 0.00 178.44 179.74 2hfd h ALA 114 N 1.64 1.38 0.05 2.65 0.00 -2.00 0.31 119.26 123.29 2hfd h ALA 114 Ca 0.38 -0.04 -0.23 0.00 0.00 0.00 0.00 54.91 55.01 2hfd h ALA 114 Cb 0.96 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2hfd h ALA 114 CO -0.11 0.52 -1.06 1.49 0.00 0.00 0.00 179.25 180.09 2hfd h GLU 115 N 1.22 0.20 -0.60 0.00 4.81 -1.12 -2.89 114.58 116.20 2hfd h GLU 115 Ca 0.40 -0.29 0.03 0.00 -0.13 0.00 0.00 59.36 59.37 2hfd h GLU 115 Cb 0.04 0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.47 2hfd h GLU 115 CO -0.13 1.08 0.35 -0.07 -0.73 0.00 0.00 179.01 179.52 2hfd h LEU 116 N 0.08 0.56 -0.59 1.64 -0.00 -0.15 0.11 115.31 116.96 2hfd h LEU 116 Ca -0.08 0.01 -0.05 0.00 -0.00 0.00 0.00 57.88 57.76 2hfd h LEU 116 Cb 1.76 -0.10 -0.02 0.00 -0.00 0.00 0.00 40.66 42.29 2hfd h LEU 116 CO 0.16 0.38 0.16 0.40 -0.00 0.00 0.00 178.44 179.55 2hfd h ILE 117 N 0.68 1.25 0.22 1.22 2.04 -1.00 -1.22 117.51 120.70 2hfd h ILE 117 Ca 0.25 -0.87 0.01 0.00 1.00 0.00 0.00 64.86 65.24 2hfd h ILE 117 Cb 0.07 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 2hfd h ILE 117 CO -0.12 0.33 -0.27 -1.13 0.00 0.00 0.00 178.15 176.96 2hfd h ASN 118 N 0.85 -0.74 -0.18 1.72 -1.24 -1.13 0.25 115.58 115.10 2hfd h ASN 118 Ca 0.19 0.07 0.01 0.00 0.71 0.00 0.00 56.30 57.28 2hfd h ASN 118 Cb 0.33 0.26 -0.01 0.00 0.73 0.00 0.00 38.32 39.62 2hfd h ASN 118 CO -0.00 -0.38 0.09 -0.07 -1.29 0.00 0.00 177.43 175.78 2hfd h LEU 119 N -0.54 0.13 -0.97 0.34 3.38 -0.75 -0.36 115.31 116.53 2hfd h LEU 119 Ca 0.00 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 2hfd h LEU 119 Cb 0.52 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 2hfd h LEU 119 CO -0.09 0.10 0.36 -0.03 0.09 0.00 0.00 178.44 178.87 2hfd h MET 120 N 0.19 1.09 -0.28 1.13 4.05 -1.04 -1.24 114.93 118.84 2hfd h MET 120 Ca 0.07 -0.16 -0.08 0.00 -0.28 0.00 0.00 59.70 59.26 2hfd h MET 120 Cb 0.02 -0.20 -0.02 0.00 -0.80 0.00 0.00 31.60 30.60 2hfd h MET 120 CO -0.05 0.84 -0.16 -0.09 0.23 0.00 0.00 176.91 177.68 2hfd h ARG 121 N 1.08 0.49 -0.04 0.39 9.65 -0.13 0.64 114.38 126.45 2hfd h ARG 121 Ca 0.26 -0.15 -0.09 0.00 -1.10 0.00 0.00 59.98 58.90 2hfd h ARG 121 Cb 0.12 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 28.64 2hfd h ARG 121 CO -0.03 0.64 -0.39 0.78 2.80 0.00 0.00 179.97 183.77 2hfd h GLY 122 N 0.95 0.09 0.22 2.80 0.00 -0.17 0.17 103.07 107.14 2hfd h GLY 122 Ca 0.08 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2hfd h GLY 122 CO 0.04 0.07 -0.06 1.41 0.00 0.00 0.00 176.54 178.00 2hfd h LEU 123 N 0.07 -0.14 -0.28 3.11 3.38 -0.43 -3.16 115.31 117.86 2hfd h LEU 123 Ca 0.01 -0.34 -0.06 0.00 0.09 0.00 0.00 57.88 57.57 2hfd h LEU 123 Cb 0.72 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 2hfd h LEU 123 CO 0.05 0.46 -0.29 -0.37 0.09 0.00 0.00 178.44 178.38 2hfd h VAL 124 N -0.95 0.53 -2.59 1.22 -1.51 -0.95 -3.34 116.25 108.67 2hfd h VAL 124 Ca -0.02 -1.60 -0.60 0.00 -1.23 0.00 0.00 66.70 63.25 2hfd h VAL 124 Cb 0.48 2.14 -0.41 0.00 -2.13 0.00 0.00 31.29 31.37 2hfd h VAL 124 CO 0.03 0.29 -0.70 1.21 -1.23 0.00 0.00 177.57 177.16 2hfd n GLU 125 N -3.22 1.65 -2.06 5.19 2.13 0.61 -5.07 120.64 119.87 2hfd n GLU 125 Ca 0.02 -4.20 -0.43 0.00 0.66 0.00 0.00 57.16 53.22 2hfd n GLU 125 Cb 0.60 -2.06 -0.03 0.00 0.27 0.00 0.00 31.44 30.22 2hfd n GLU 125 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 2hfd s PRO 126 N -1.49 3.66 0.00 5.31 0.02 -1.19 -4.35 135.00 136.95 2hfd s PRO 126 Ca 0.32 1.61 0.29 0.00 0.02 0.00 0.00 61.00 63.24 2hfd s PRO 126 Cb 0.05 -4.09 1.31 0.00 0.02 0.00 0.00 34.50 31.79 2hfd s PRO 126 CO -0.12 -1.47 1.91 1.04 -0.33 0.00 0.00 177.00 178.03 2hfd n GLN 127 N 7.91 0.72 -3.32 5.54 6.02 -1.26 -4.96 117.38 128.03 2hfd n GLN 127 Ca 0.20 -0.21 -0.13 0.00 -0.01 0.00 0.00 57.00 56.85 2hfd n GLN 127 Cb 0.46 -1.50 0.03 0.00 1.02 0.00 0.00 30.24 30.25 2hfd n GLN 127 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2hfd n GLN 128 N -0.95 -1.58 -4.16 -1.09 6.02 -1.26 -5.05 117.38 109.31 2hfd n GLN 128 Ca 0.15 1.04 -0.27 0.00 -0.01 0.00 0.00 57.00 57.91 2hfd n GLN 128 Cb 0.26 -5.07 -0.05 0.00 1.02 0.00 0.00 30.24 26.40 2hfd n GLN 128 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 2hfd s GLU 129 N -4.19 2.24 0.28 -1.09 -1.05 -1.26 -5.10 118.70 108.53 2hfd s GLU 129 Ca 0.22 -2.00 -0.29 0.00 -0.15 0.00 0.00 54.97 52.75 2hfd s GLU 129 Cb -0.05 -1.94 -0.10 0.00 -0.44 0.00 0.00 34.13 31.60 2hfd s GLU 129 CO 0.79 -0.33 1.27 -0.98 0.95 0.00 0.00 175.26 176.96 2hfd s ARG 130 N -4.03 4.42 -0.19 -4.83 1.04 -1.26 -5.02 118.95 109.08 2hfd s ARG 130 Ca 0.32 2.09 -0.00 0.00 -1.04 0.00 0.00 55.73 57.10 2hfd s ARG 130 Cb 0.01 -3.13 0.05 0.00 -2.04 0.00 0.00 34.95 29.84 2hfd s ARG 130 CO 0.18 -0.14 -0.05 0.00 -0.04 0.00 0.00 175.30 175.25 2hfd s ALA 131 N -0.72 1.62 0.00 7.88 0.00 -1.26 -5.24 121.76 124.04 2hfd s ALA 131 Ca 0.51 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 51.46 2hfd s ALA 131 Cb -0.37 -1.23 0.00 0.00 0.00 0.00 0.00 23.12 21.51 2hfd s ALA 131 CO 0.46 -0.95 0.17 0.43 0.00 0.00 0.00 175.76 175.87