#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hfd s SER 2 N 0.00 6.47 -0.80 7.83 1.04 -1.26 -4.81 113.70 122.17 2hfd s SER 2 Ca 0.00 -2.00 -0.05 0.00 0.48 0.00 0.00 55.95 54.38 2hfd s SER 2 Cb 0.00 -2.58 0.03 0.00 0.10 0.00 0.00 66.02 63.57 2hfd s SER 2 CO 0.00 -1.55 2.76 -0.46 0.98 0.00 0.00 173.24 174.97 2hfd n ASN 3 N 9.46 7.06 -0.58 7.02 0.23 -1.26 -4.50 115.26 132.70 2hfd n ASN 3 Ca 0.44 -3.04 0.04 0.00 -0.53 0.00 0.00 54.58 51.49 2hfd n ASN 3 Cb 0.47 -1.33 0.13 0.00 -2.08 0.00 0.00 39.78 36.97 2hfd n ASN 3 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 2hfd n ASP 4 N 1.59 1.64 0.17 0.53 2.03 -1.26 -3.58 116.55 117.68 2hfd n ASP 4 Ca 0.55 -2.04 0.00 0.00 0.52 0.00 0.00 54.79 53.82 2hfd n ASP 4 Cb 0.46 -0.23 0.00 0.00 -0.72 0.00 0.00 41.12 40.63 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 0.30 0.00 0.26 5.18 -1.04 -1.26 -4.75 114.28 112.97 2hfd n THR 5 Ca 0.09 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.94 2hfd n THR 5 Cb 0.28 -0.22 -0.08 0.00 -1.82 0.00 0.00 70.33 68.49 2hfd n THR 5 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 2hfd h PRO 6 N 0.00 -0.69 -0.57 -2.82 0.13 -1.88 0.28 132.00 126.46 2hfd h PRO 6 Ca 0.00 0.05 -0.06 0.00 -0.87 0.00 0.00 66.00 65.12 2hfd h PRO 6 Cb 0.00 0.16 -0.02 0.00 0.13 0.00 0.00 31.00 31.26 2hfd h PRO 6 CO 0.00 -0.46 0.13 0.35 -0.23 0.00 0.00 178.00 177.79 2hfd h PHE 7 N -0.71 0.96 -0.11 1.56 3.57 -1.93 0.18 116.94 120.45 2hfd h PHE 7 Ca -0.05 -0.12 0.04 0.00 3.53 0.00 0.00 57.97 61.37 2hfd h PHE 7 Cb 0.59 -0.27 -0.04 0.00 2.79 0.00 0.00 35.95 39.02 2hfd h PHE 7 CO -0.11 0.83 -0.13 0.22 -2.23 0.00 0.00 178.31 176.89 2hfd h ASP 8 N 0.81 -0.39 -0.07 0.41 3.58 -1.59 0.29 116.42 119.47 2hfd h ASP 8 Ca 0.18 0.07 -0.00 0.00 0.42 0.00 0.00 57.03 57.70 2hfd h ASP 8 Cb 0.36 0.19 -0.00 0.00 1.72 0.00 0.00 39.33 41.59 2hfd h ASP 8 CO 0.00 -0.17 0.04 0.00 -2.88 0.00 0.00 179.24 176.23 2hfd h ALA 9 N 0.91 0.10 -0.50 -0.78 0.00 -0.25 -1.23 119.26 117.50 2hfd h ALA 9 Ca 0.08 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.98 2hfd h ALA 9 Cb 0.28 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 2hfd h ALA 9 CO -0.21 -0.35 0.23 1.25 0.00 0.00 0.00 179.25 180.17 2hfd h LEU 10 N -0.00 0.30 -0.53 0.00 7.12 -0.33 -0.96 115.31 120.91 2hfd h LEU 10 Ca 0.03 0.04 -0.07 0.00 0.13 0.00 0.00 57.88 58.00 2hfd h LEU 10 Cb 0.12 -0.01 -0.02 0.00 -0.53 0.00 0.00 40.66 40.22 2hfd h LEU 10 CO -0.00 0.21 0.05 -0.25 -0.13 0.00 0.00 178.44 178.31 2hfd h TRP 11 N 0.45 0.96 -0.76 1.25 7.01 -0.32 -2.06 115.95 122.48 2hfd h TRP 11 Ca 0.23 -0.15 0.05 0.00 2.11 0.00 0.00 58.89 61.13 2hfd h TRP 11 Cb 0.18 -0.26 -0.05 0.00 -2.10 0.00 0.00 29.16 26.94 2hfd h TRP 11 CO -0.12 0.88 0.50 1.96 -2.79 0.00 0.00 178.44 178.86 2hfd h GLN 12 N 0.77 0.85 0.30 2.65 1.08 -0.69 0.37 115.11 120.45 2hfd h GLN 12 Ca 0.16 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.29 2hfd h GLN 12 Cb 0.46 -0.19 0.00 0.00 -0.05 0.00 0.00 27.48 27.70 2hfd h GLN 12 CO 0.02 0.56 -0.14 0.00 -0.95 0.00 0.00 178.83 178.32 2hfd h ARG 13 N 0.88 -0.39 -0.66 1.46 2.47 -0.68 0.02 114.38 117.48 2hfd h ARG 13 Ca 0.31 0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 59.05 2hfd h ARG 13 Cb 0.14 0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 28.51 2hfd h ARG 13 CO -0.10 -0.13 0.39 0.52 0.56 0.00 0.00 179.97 181.20 2hfd h MET 14 N -0.59 0.90 -0.75 0.04 2.86 -0.99 -2.27 114.93 114.12 2hfd h MET 14 Ca -0.04 -0.08 -0.05 0.00 -2.06 0.00 0.00 59.70 57.47 2hfd h MET 14 Cb 0.43 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 31.87 2hfd h MET 14 CO 0.07 0.64 0.28 1.25 1.06 0.00 0.00 176.91 180.21 2hfd h LEU 15 N 0.92 1.06 -1.97 1.22 7.12 -0.11 -2.32 115.31 121.23 2hfd h LEU 15 Ca 0.24 -0.19 -0.02 0.00 0.13 0.00 0.00 57.88 58.04 2hfd h LEU 15 Cb -0.02 -0.28 -0.00 0.00 -0.53 0.00 0.00 40.66 39.83 2hfd h LEU 15 CO -0.04 0.96 -0.10 0.00 -0.13 0.00 0.00 178.44 179.12 2hfd h ALA 16 N 1.14 1.26 0.00 1.25 0.00 -0.39 -1.00 119.26 121.51 2hfd h ALA 16 Ca 0.25 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2hfd h ALA 16 Cb 0.25 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2hfd h ALA 16 CO -0.02 0.13 0.00 0.54 0.00 0.00 0.00 179.25 179.90 2hfd n ARG 17 N -3.58 0.32 -0.60 0.00 5.12 -0.88 -4.85 116.66 112.18 2hfd n ARG 17 Ca -0.02 0.07 0.00 0.00 -1.93 0.00 0.00 57.85 55.97 2hfd n ARG 17 Cb 0.23 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.03 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 0.72 0.90 3.62 -0.13 0.00 -0.38 -5.04 105.19 104.87 2hfd n GLY 18 Ca 0.11 -0.47 -0.41 0.00 0.00 0.00 0.00 46.02 45.25 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 3.25 -0.19 1.61 0.51 -1.18 -4.90 118.94 116.04 2hfd s TRP 19 Ca 0.00 0.78 -0.29 0.00 -2.12 0.00 0.00 56.10 54.47 2hfd s TRP 19 Cb 0.00 -2.95 0.00 0.00 -0.81 0.00 0.00 33.47 29.71 2hfd s TRP 19 CO 0.00 -0.41 1.03 0.99 -0.51 0.00 0.00 176.95 178.05 2hfd s THR 20 N 2.63 4.71 -0.08 2.01 2.01 -0.98 -4.53 115.64 121.41 2hfd s THR 20 Ca 0.28 2.03 -0.30 0.00 0.31 0.00 0.00 61.69 64.01 2hfd s THR 20 Cb -0.15 -4.31 -0.04 0.00 0.01 0.00 0.00 72.50 68.01 2hfd s THR 20 CO 0.10 -0.12 1.49 -2.16 -0.69 0.00 0.00 174.62 173.24 2hfd s PRO 21 N 2.83 4.21 0.03 4.92 0.04 -1.24 -0.71 135.00 145.08 2hfd s PRO 21 Ca 0.45 1.99 0.07 0.00 0.04 0.00 0.00 61.00 63.55 2hfd s PRO 21 Cb -0.16 -3.85 -0.02 0.00 0.04 0.00 0.00 34.50 30.51 2hfd s PRO 21 CO 0.10 -0.76 -0.20 0.54 0.04 0.00 0.00 177.00 176.72 2hfd s VAL 22 N 3.59 1.61 0.51 -0.36 0.11 0.06 -4.93 120.40 120.99 2hfd s VAL 22 Ca 0.66 -1.11 -0.08 0.00 -2.93 0.00 0.00 61.98 58.53 2hfd s VAL 22 Cb -0.29 -1.39 -0.04 0.00 -1.53 0.00 0.00 36.38 33.12 2hfd s VAL 22 CO 0.24 0.25 0.86 -0.55 -3.33 0.00 0.00 175.10 172.57 2hfd s SER 23 N -1.01 6.29 0.12 3.54 0.15 -1.26 -4.54 113.70 116.99 2hfd s SER 23 Ca 0.07 1.11 -0.26 0.00 0.70 0.00 0.00 55.95 57.57 2hfd s SER 23 Cb -0.08 -2.33 -0.06 0.00 -1.71 0.00 0.00 66.02 61.84 2hfd s SER 23 CO 0.01 -0.64 1.64 -0.33 1.20 0.00 0.00 173.24 175.12 2hfd h GLU 24 N 0.19 -0.40 0.00 5.44 3.07 -1.99 0.33 114.58 121.21 2hfd h GLU 24 Ca -0.46 0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 58.40 2hfd h GLU 24 Cb 1.20 0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 29.19 2hfd h GLU 24 CO 0.62 -0.27 -0.13 0.77 -1.40 0.00 0.00 179.01 178.60 2hfd h SER 25 N -0.41 0.00 0.92 1.42 0.02 -2.01 -2.04 113.55 111.46 2hfd h SER 25 Ca 0.05 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.84 2hfd h SER 25 Cb 0.48 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.99 2hfd h SER 25 CO -0.20 0.13 -1.16 -0.09 -1.14 0.00 0.00 176.83 174.37 2hfd h ARG 26 N 0.00 0.00 -0.85 3.45 9.65 -1.68 -3.25 114.38 121.70 2hfd h ARG 26 Ca -0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2hfd h ARG 26 Cb 0.45 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 28.99 2hfd h ARG 26 CO 0.02 0.40 0.54 1.25 2.80 0.00 0.00 179.97 184.98 2hfd h LEU 27 N 0.00 1.00 -0.28 3.80 7.12 0.36 0.31 115.31 127.62 2hfd h LEU 27 Ca -0.12 -0.05 -0.12 0.00 0.13 0.00 0.00 57.88 57.72 2hfd h LEU 27 Cb 1.57 -0.25 -0.00 0.00 -0.53 0.00 0.00 40.66 41.44 2hfd h LEU 27 CO 0.06 0.74 -0.31 -0.78 -0.13 0.00 0.00 178.44 178.02 2hfd h ASP 28 N 1.16 0.75 0.48 1.25 3.58 -1.64 -0.41 116.42 121.60 2hfd h ASP 28 Ca 0.31 -0.48 -0.02 0.00 0.42 0.00 0.00 57.03 57.25 2hfd h ASP 28 Cb -0.09 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 40.75 2hfd h ASP 28 CO -0.06 1.09 -0.23 -0.78 -2.88 0.00 0.00 179.24 176.37 2hfd h ASP 29 N 0.44 -0.55 -0.41 2.28 3.58 -1.53 -2.31 116.42 117.92 2hfd h ASP 29 Ca 0.04 -0.06 -0.04 0.00 0.42 0.00 0.00 57.03 57.39 2hfd h ASP 29 Cb 0.89 0.14 -0.02 0.00 1.72 0.00 0.00 39.33 42.06 2hfd h ASP 29 CO 0.08 -0.26 0.14 -0.25 -2.88 0.00 0.00 179.24 176.07 2hfd h TRP 30 N -0.83 0.71 -0.16 0.28 7.01 -0.42 0.15 115.95 122.69 2hfd h TRP 30 Ca -0.07 -0.05 -0.04 0.00 2.11 0.00 0.00 58.89 60.84 2hfd h TRP 30 Cb 0.57 -0.21 -0.01 0.00 -2.10 0.00 0.00 29.16 27.41 2hfd h TRP 30 CO -0.01 0.59 -0.10 1.25 -2.79 0.00 0.00 178.44 177.38 2hfd h LEU 31 N 0.69 0.23 -0.39 0.65 7.12 -1.06 0.31 115.31 122.84 2hfd h LEU 31 Ca 0.16 -0.04 -0.18 0.00 0.13 0.00 0.00 57.88 57.95 2hfd h LEU 31 Cb 0.22 -0.06 -0.00 0.00 -0.53 0.00 0.00 40.66 40.29 2hfd h LEU 31 CO -0.01 0.36 -0.61 0.74 -0.13 0.00 0.00 178.44 178.79 2hfd h THR 32 N 0.23 1.31 -0.04 1.05 2.02 -0.24 -3.24 112.91 114.01 2hfd h THR 32 Ca 0.05 -1.86 -0.19 0.00 0.77 0.00 0.00 66.41 65.18 2hfd h THR 32 Cb 0.33 1.82 -0.01 0.00 -1.74 0.00 0.00 68.15 68.55 2hfd h THR 32 CO 0.02 0.58 -0.78 1.56 0.37 0.00 0.00 175.52 177.27 2hfd h GLN 33 N 0.48 0.29 -6.34 6.66 1.08 0.07 -3.45 115.11 113.90 2hfd h GLN 33 Ca -0.01 -0.26 -0.56 0.00 -1.45 0.00 0.00 58.65 56.38 2hfd h GLN 33 Cb 1.19 0.06 -0.04 0.00 -0.05 0.00 0.00 27.48 28.65 2hfd h GLN 33 CO 0.12 0.93 -0.03 0.00 -0.95 0.00 0.00 178.83 178.90 2hfd s ALA 34 N -3.45 3.55 0.15 3.87 0.00 0.99 -4.99 121.76 121.88 2hfd s ALA 34 Ca -0.04 -0.01 -0.10 0.00 0.00 0.00 0.00 51.96 51.81 2hfd s ALA 34 Cb 0.10 -2.62 -0.02 0.00 0.00 0.00 0.00 23.12 20.59 2hfd s ALA 34 CO 0.83 0.41 1.49 -1.35 0.00 0.00 0.00 175.76 177.14 2hfd h PRO 35 N 3.90 0.92 -3.63 0.00 0.11 -1.87 -3.46 132.00 127.98 2hfd h PRO 35 Ca -0.49 -0.48 -0.12 0.00 0.11 0.00 0.00 66.00 65.03 2hfd h PRO 35 Cb 1.20 0.01 -0.18 0.00 0.11 0.00 0.00 31.00 32.15 2hfd h PRO 35 CO 0.65 1.13 -0.44 0.34 -0.21 0.00 0.00 178.00 179.47 2hfd s ASP 36 N -6.83 0.08 -0.24 -2.05 -1.08 -1.26 -3.79 116.67 101.49 2hfd s ASP 36 Ca -0.11 -0.41 -0.29 0.00 -0.52 0.00 0.00 52.55 51.23 2hfd s ASP 36 Cb 0.11 0.26 0.16 0.00 -1.46 0.00 0.00 42.92 42.00 2hfd s ASP 36 CO 0.88 -0.53 1.21 -0.83 0.52 0.00 0.00 175.17 176.42 2hfd s GLY 37 N -2.05 -0.03 0.01 2.66 0.00 -0.21 -1.64 107.32 106.07 2hfd s GLY 37 Ca -0.06 2.63 0.06 0.00 0.00 0.00 0.00 44.72 47.35 2hfd s GLY 37 CO -0.04 1.26 -0.20 -1.34 0.00 0.00 0.00 173.10 172.79 2hfd s VAL 38 N -0.79 1.56 -0.07 1.40 -7.23 0.16 -0.51 120.40 114.94 2hfd s VAL 38 Ca 0.04 -1.00 0.04 0.00 -1.81 0.00 0.00 61.98 59.25 2hfd s VAL 38 Cb -0.02 -1.33 0.00 0.00 0.56 0.00 0.00 36.38 35.60 2hfd s VAL 38 CO -0.05 0.31 -0.18 -0.69 -0.31 0.00 0.00 175.10 174.18 2hfd s VAL 39 N -0.62 1.53 -0.24 1.32 1.01 0.11 -0.62 120.40 122.88 2hfd s VAL 39 Ca 0.07 -0.73 -0.10 0.00 0.00 0.00 0.00 61.98 61.22 2hfd s VAL 39 Cb -0.08 -1.34 -0.05 0.00 0.00 0.00 0.00 36.38 34.92 2hfd s VAL 39 CO 0.00 0.44 0.14 -0.76 0.00 0.00 0.00 175.10 174.92 2hfd s LEU 40 N 0.34 3.98 -0.23 3.92 1.02 -0.94 -0.63 118.68 126.14 2hfd s LEU 40 Ca -0.12 0.06 -0.12 0.00 0.02 0.00 0.00 54.13 53.97 2hfd s LEU 40 Cb -0.15 -2.06 -0.05 0.00 0.02 0.00 0.00 46.19 43.95 2hfd s LEU 40 CO 0.05 0.06 0.24 -0.76 0.02 0.00 0.00 176.35 175.95 2hfd s LEU 41 N 1.08 4.13 -0.13 1.79 1.02 0.02 -3.74 118.68 122.85 2hfd s LEU 41 Ca 0.07 0.24 -0.07 0.00 0.02 0.00 0.00 54.13 54.39 2hfd s LEU 41 Cb -0.14 -2.24 -0.04 0.00 0.02 0.00 0.00 46.19 43.80 2hfd s LEU 41 CO 0.04 0.02 -0.02 0.28 0.02 0.00 0.00 176.35 176.69 2hfd h SER 42 N 7.46 0.00 -5.71 2.29 0.02 -1.85 -2.62 113.55 113.14 2hfd h SER 42 Ca -0.37 -0.08 -0.12 0.00 -0.84 0.00 0.00 61.79 60.37 2hfd h SER 42 Cb 1.17 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.71 2hfd h SER 42 CO 0.68 0.69 -0.78 -1.20 -1.14 0.00 0.00 176.83 175.07 2hfd n SER 43 N -4.68 -7.16 -3.18 3.07 7.64 -1.26 -3.20 113.62 104.85 2hfd n SER 43 Ca -0.05 0.39 0.05 0.00 1.01 0.00 0.00 58.87 60.26 2hfd n SER 43 Cb 0.18 -4.09 -0.02 0.00 -1.01 0.00 0.00 64.21 59.27 2hfd n SER 43 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2hfd s ASP 44 N -2.11 -0.64 0.02 6.43 2.15 -1.26 -4.56 116.67 116.70 2hfd s ASP 44 Ca 0.26 0.46 0.21 0.00 0.43 0.00 0.00 52.55 53.91 2hfd s ASP 44 Cb -0.05 1.56 -0.21 0.00 -0.30 0.00 0.00 42.92 43.92 2hfd s ASP 44 CO 0.77 -0.12 0.63 -0.81 -0.17 0.00 0.00 175.17 175.47 2hfd n PRO 45 N 5.40 0.64 0.03 4.34 -0.04 -1.26 -4.90 135.00 139.21 2hfd n PRO 45 Ca -0.06 -0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 2hfd n PRO 45 Cb 0.53 -1.64 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 2hfd n PRO 45 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2hfd n LYS 46 N -2.52 0.00 -0.06 0.54 4.81 -1.26 -4.76 118.16 114.90 2hfd n LYS 46 Ca -0.07 0.00 -0.21 0.00 -0.87 0.00 0.00 58.31 57.15 2hfd n LYS 46 Cb 0.68 -0.18 -0.13 0.00 0.02 0.00 0.00 35.03 35.42 2hfd n LYS 46 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 2hfd n ARG 47 N -2.96 0.69 -1.92 1.64 3.00 -1.26 0.64 116.66 116.49 2hfd n ARG 47 Ca 0.00 0.27 -0.00 0.00 -0.00 0.00 0.00 57.85 58.12 2hfd n ARG 47 Cb 0.00 -1.64 -0.00 0.00 0.00 0.00 0.00 32.46 30.82 2hfd n ARG 47 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 2hfd n THR 48 N -3.61 -5.80 -0.04 5.15 -1.04 -1.26 -2.39 114.28 105.29 2hfd n THR 48 Ca -0.38 0.74 -0.14 0.00 -2.04 0.00 0.00 64.05 62.23 2hfd n THR 48 Cb 0.97 -4.94 -0.09 0.00 -1.82 0.00 0.00 70.33 64.45 2hfd n THR 48 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 2hfd h PRO 49 N 1.17 0.33 -0.95 -2.82 0.11 -1.94 -3.46 132.00 124.44 2hfd h PRO 49 Ca -0.05 -0.22 0.11 0.00 0.11 0.00 0.00 66.00 65.95 2hfd h PRO 49 Cb 0.11 0.03 -0.21 0.00 0.11 0.00 0.00 31.00 31.04 2hfd h PRO 49 CO 0.03 0.83 -0.21 -2.00 -0.21 0.00 0.00 178.00 176.44 2hfd s GLU 50 N -3.88 0.52 0.18 1.05 2.56 -1.26 -5.02 118.70 112.85 2hfd s GLU 50 Ca -0.14 0.94 0.10 0.00 0.00 0.00 0.00 54.97 55.87 2hfd s GLU 50 Cb 0.04 0.53 -0.08 0.00 2.00 0.00 0.00 34.13 36.61 2hfd s GLU 50 CO 0.76 -0.55 1.35 0.28 -0.56 0.00 0.00 175.26 176.54 2hfd h VAL 51 N 5.92 1.45 -0.00 3.70 2.07 -2.01 -3.30 116.25 124.08 2hfd h VAL 51 Ca -0.22 -2.98 0.00 0.00 0.82 0.00 0.00 66.70 64.33 2hfd h VAL 51 Cb 1.16 2.67 0.00 0.00 -1.52 0.00 0.00 31.29 33.60 2hfd h VAL 51 CO 0.21 0.81 -0.02 -1.20 0.02 0.00 0.00 177.57 177.39 2hfd n SER 52 N -3.34 0.17 -4.62 0.57 7.64 -1.26 -4.86 113.62 107.92 2hfd n SER 52 Ca 0.00 -0.72 -0.43 0.00 1.01 0.00 0.00 58.87 58.74 2hfd n SER 52 Cb 0.86 -0.09 -0.02 0.00 -1.01 0.00 0.00 64.21 63.94 2hfd n SER 52 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2hfd s ASP 53 N -2.24 6.39 -1.02 6.43 2.15 -1.24 -4.05 116.67 123.10 2hfd s ASP 53 Ca 0.39 1.33 -0.14 0.00 0.43 0.00 0.00 52.55 54.56 2hfd s ASP 53 Cb 0.21 -2.53 -0.01 0.00 -0.30 0.00 0.00 42.92 40.29 2hfd s ASP 53 CO 0.41 -1.30 0.75 0.59 -0.17 0.00 0.00 175.17 175.45 2hfd n ASN 54 N 8.52 -5.66 0.01 -0.34 3.02 -1.26 -4.89 115.26 114.66 2hfd n ASN 54 Ca 0.18 -0.86 -0.22 0.00 -0.03 0.00 0.00 54.58 53.65 2hfd n ASN 54 Cb 0.46 -3.37 -0.14 0.00 -0.61 0.00 0.00 39.78 36.13 2hfd n ASN 54 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 2hfd h PRO 55 N -1.22 0.27 0.00 3.52 0.13 -1.89 -3.46 132.00 129.35 2hfd h PRO 55 Ca -0.55 -0.47 0.00 0.00 -0.87 0.00 0.00 66.00 64.11 2hfd h PRO 55 Cb 1.31 0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.61 2hfd h PRO 55 CO 0.43 1.22 -0.46 0.28 -0.23 0.00 0.00 178.00 179.25 2hfd n VAL 56 N -3.65 0.00 0.23 1.56 0.31 -1.26 -4.76 118.33 110.76 2hfd n VAL 56 Ca -0.29 0.00 0.18 0.00 -0.01 0.00 0.00 64.34 64.21 2hfd n VAL 56 Cb 1.01 -0.39 0.87 0.00 -0.91 0.00 0.00 33.84 34.41 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 -0.50 5.55 -0.00 -2.00 -0.56 114.93 117.42 2hfd h MET 57 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.69 2hfd h MET 57 Cb 0.46 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.03 2hfd h MET 57 CO 0.00 0.00 0.26 0.82 -0.00 0.00 0.00 176.91 177.99 2hfd h ILE 58 N 0.00 1.18 0.00 -0.10 1.08 -1.89 -1.01 117.51 116.78 2hfd h ILE 58 Ca 0.07 -0.50 -0.06 0.00 -0.39 0.00 0.00 64.86 63.98 2hfd h ILE 58 Cb 0.48 0.60 -0.01 0.00 -3.07 0.00 0.00 36.82 34.82 2hfd h ILE 58 CO -0.00 0.20 -0.30 1.23 -0.69 0.00 0.00 178.15 178.59 2hfd h GLY 59 N 0.66 0.00 0.93 5.37 0.00 -1.45 -2.69 103.07 105.89 2hfd h GLY 59 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.30 2hfd h GLY 59 CO -0.02 0.00 -0.84 0.83 0.00 0.00 0.00 176.54 176.51 2hfd h GLU 60 N 0.00 0.49 -0.17 4.80 4.39 -1.45 -3.29 114.58 119.35 2hfd h GLU 60 Ca -0.00 -0.58 -0.00 0.00 0.34 0.00 0.00 59.36 59.11 2hfd h GLU 60 Cb 0.67 0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.49 2hfd h GLU 60 CO 0.04 1.22 0.10 1.25 -1.16 0.00 0.00 179.01 180.46 2hfd h LEU 61 N 0.01 0.20 -2.25 1.33 5.85 -1.00 -2.61 115.31 116.85 2hfd h LEU 61 Ca -0.12 -0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.59 2hfd h LEU 61 Cb 1.55 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.53 2hfd h LEU 61 CO 0.16 0.18 0.08 -0.07 -0.34 0.00 0.00 178.44 178.46 2hfd h LEU 62 N 0.20 0.00 0.00 2.25 4.07 -1.61 -2.74 115.31 117.48 2hfd h LEU 62 Ca 0.06 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.02 2hfd h LEU 62 Cb 0.02 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.76 2hfd h LEU 62 CO -0.01 0.00 0.00 0.54 -1.08 0.00 0.00 178.44 177.89 2hfd n ARG 63 N -4.04 0.10 -0.03 1.13 5.12 -0.98 -1.31 116.66 116.64 2hfd n ARG 63 Ca -0.01 0.22 0.09 0.00 -1.93 0.00 0.00 57.85 56.22 2hfd n ARG 63 Cb 0.19 -1.50 0.44 0.00 -1.16 0.00 0.00 32.46 30.43 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 -1.38 1.24 -3.64 5.56 0.28 -1.03 -4.24 120.64 117.42 2hfd n GLU 64 Ca 0.05 -0.36 -0.39 0.00 -0.16 0.00 0.00 57.16 56.30 2hfd n GLU 64 Cb 0.12 -1.30 -0.08 0.00 1.43 0.00 0.00 31.44 31.61 2hfd n GLU 64 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 2hfd s PHE 65 N -1.92 3.48 0.08 -1.84 0.08 -0.43 -4.97 117.98 112.46 2hfd s PHE 65 Ca 0.27 -2.58 -0.16 0.00 0.12 0.00 0.00 56.93 54.57 2hfd s PHE 65 Cb 0.13 -3.32 -0.10 0.00 -0.57 0.00 0.00 43.02 39.16 2hfd s PHE 65 CO 0.21 -0.87 1.39 -1.35 -0.10 0.00 0.00 175.22 174.50 2hfd h PRO 66 N 7.15 0.62 0.00 0.24 0.11 -1.85 -3.29 132.00 134.98 2hfd h PRO 66 Ca 0.01 -0.34 -0.16 0.00 0.11 0.00 0.00 66.00 65.62 2hfd h PRO 66 Cb 0.97 0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.07 2hfd h PRO 66 CO 0.72 0.94 -1.37 0.22 -0.21 0.00 0.00 178.00 178.30 2hfd h ASP 67 N 0.33 0.00 -3.41 -2.05 1.82 -1.96 -3.44 116.42 107.71 2hfd h ASP 67 Ca 0.04 0.00 -0.63 0.00 -0.39 0.00 0.00 57.03 56.04 2hfd h ASP 67 Cb 0.84 0.00 -0.14 0.00 0.68 0.00 0.00 39.33 40.71 2hfd h ASP 67 CO 0.07 0.56 0.37 -0.47 -1.61 0.00 0.00 179.24 178.16 2hfd s TYR 68 N -2.94 2.93 -0.16 0.28 5.04 -1.24 -5.01 117.35 116.26 2hfd s TYR 68 Ca -0.03 -0.02 -0.21 0.00 -2.44 0.00 0.00 57.07 54.37 2hfd s TYR 68 Cb 0.09 -3.77 -0.03 0.00 0.35 0.00 0.00 41.96 38.59 2hfd s TYR 68 CO 0.81 -1.12 0.62 0.95 -1.34 0.00 0.00 175.55 175.47 2hfd s THR 69 N 3.40 5.05 -0.19 4.34 -4.23 -1.26 -4.78 115.64 117.97 2hfd s THR 69 Ca 0.27 1.20 -0.08 0.00 -1.18 0.00 0.00 61.69 61.90 2hfd s THR 69 Cb -0.13 -3.94 -0.04 0.00 1.34 0.00 0.00 72.50 69.72 2hfd s THR 69 CO 0.20 0.17 0.08 0.26 -0.54 0.00 0.00 174.62 174.79 2hfd s TRP 70 N 1.49 3.29 -0.54 3.99 0.52 -1.26 -4.50 118.94 121.93 2hfd s TRP 70 Ca 0.30 0.13 -0.23 0.00 0.02 0.00 0.00 56.10 56.31 2hfd s TRP 70 Cb -0.16 -2.10 0.04 0.00 -1.15 0.00 0.00 33.47 30.10 2hfd s TRP 70 CO 0.12 0.18 0.89 -0.65 0.02 0.00 0.00 176.95 177.51 2hfd s GLN 71 N 0.39 3.31 -0.33 4.98 1.11 -0.65 -4.93 119.66 123.53 2hfd s GLN 71 Ca 0.04 -0.33 -0.18 0.00 0.01 0.00 0.00 55.36 54.90 2hfd s GLN 71 Cb -0.12 -4.05 -0.01 0.00 -1.01 0.00 0.00 33.01 27.82 2hfd s GLN 71 CO -0.00 -1.43 0.52 0.08 0.01 0.00 0.00 175.29 174.46 2hfd s VAL 72 N 3.75 5.02 0.09 1.09 1.01 -1.26 -0.66 120.40 129.43 2hfd s VAL 72 Ca 0.29 0.44 0.09 0.00 0.00 0.00 0.00 61.98 62.80 2hfd s VAL 72 Cb -0.13 -3.94 -0.03 0.00 0.00 0.00 0.00 36.38 32.27 2hfd s VAL 72 CO 0.19 -0.17 -0.25 0.00 0.00 0.00 0.00 175.10 174.87 2hfd s ALA 73 N 2.39 2.13 0.04 5.51 0.00 0.21 -2.32 121.76 129.71 2hfd s ALA 73 Ca 0.19 -1.30 0.03 0.00 0.00 0.00 0.00 51.96 50.88 2hfd s ALA 73 Cb -0.15 -0.37 -0.02 0.00 0.00 0.00 0.00 23.12 22.57 2hfd s ALA 73 CO 0.13 0.48 -0.09 0.96 0.00 0.00 0.00 175.76 177.24 2hfd s ILE 74 N -0.96 0.66 0.17 0.00 -4.36 0.11 -2.20 121.20 114.61 2hfd s ILE 74 Ca 0.11 -0.92 0.10 0.00 -0.26 0.00 0.00 60.65 59.67 2hfd s ILE 74 Cb -0.10 -0.67 -0.04 0.00 1.25 0.00 0.00 42.46 42.90 2hfd s ILE 74 CO 0.04 -0.21 -0.21 0.00 0.24 0.00 0.00 174.94 174.79 2hfd s ALA 75 N -1.04 2.21 1.48 2.27 0.00 -1.25 -0.76 121.76 124.67 2hfd s ALA 75 Ca -0.05 -1.52 -0.24 0.00 0.00 0.00 0.00 51.96 50.15 2hfd s ALA 75 Cb -0.08 -0.26 0.38 0.00 0.00 0.00 0.00 23.12 23.16 2hfd s ALA 75 CO 0.01 0.35 0.89 -0.51 0.00 0.00 0.00 175.76 176.50 2hfd s ASP 76 N -2.53 -1.55 0.07 0.00 1.11 -1.26 -4.50 116.67 108.01 2hfd s ASP 76 Ca 0.16 0.82 -0.32 0.00 0.18 0.00 0.00 52.55 53.40 2hfd s ASP 76 Cb -0.07 -1.14 -0.18 0.00 1.07 0.00 0.00 42.92 42.60 2hfd s ASP 76 CO 0.08 -5.66 1.64 -0.07 1.18 0.00 0.00 175.17 172.34 2hfd h LEU 77 N -3.62 -0.70 -0.37 1.23 3.38 -1.98 -0.16 115.31 113.08 2hfd h LEU 77 Ca -0.41 0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.50 2hfd h LEU 77 Cb 1.35 0.19 -0.01 0.00 0.09 0.00 0.00 40.66 42.27 2hfd h LEU 77 CO 0.25 -0.49 -0.10 -0.33 0.09 0.00 0.00 178.44 177.87 2hfd h GLU 78 N -0.79 0.73 -0.17 1.13 5.08 -1.92 -2.12 114.58 116.52 2hfd h GLU 78 Ca -0.08 -0.28 0.04 0.00 -1.00 0.00 0.00 59.36 58.04 2hfd h GLU 78 Cb 0.62 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.78 2hfd h GLU 78 CO 0.12 0.88 -0.11 1.96 -1.00 0.00 0.00 179.01 180.85 2hfd h GLN 79 N 0.53 -0.11 -0.63 2.33 7.50 -1.88 0.33 115.11 123.19 2hfd h GLN 79 Ca 0.09 0.01 -0.09 0.00 0.50 0.00 0.00 58.65 59.16 2hfd h GLN 79 Cb 0.62 0.02 -0.02 0.00 0.05 0.00 0.00 27.48 28.15 2hfd h GLN 79 CO 0.04 -0.07 0.05 0.66 -1.50 0.00 0.00 178.83 178.01 2hfd h SER 80 N -0.11 1.03 -0.36 1.46 4.64 -0.97 -0.36 113.55 118.87 2hfd h SER 80 Ca 0.10 -0.27 -0.01 0.00 -0.47 0.00 0.00 61.79 61.15 2hfd h SER 80 Cb 0.26 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.06 2hfd h SER 80 CO -0.24 1.05 0.20 -0.33 -0.87 0.00 0.00 176.83 176.64 2hfd h GLU 81 N 0.98 0.51 -0.48 4.77 5.08 -0.84 -0.32 114.58 124.28 2hfd h GLU 81 Ca 0.18 -0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.36 2hfd h GLU 81 Cb 0.50 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 2hfd h GLU 81 CO 0.02 0.42 -0.20 0.00 -1.00 0.00 0.00 179.01 178.25 2hfd h ALA 82 N 1.06 0.67 -0.39 3.43 0.00 -0.08 0.12 119.26 124.08 2hfd h ALA 82 Ca 0.13 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 2hfd h ALA 82 Cb 0.06 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2hfd h ALA 82 CO -0.02 0.65 0.06 0.82 0.00 0.00 0.00 179.25 180.76 2hfd h ILE 83 N 0.84 1.24 -0.20 0.00 2.04 -0.96 -0.81 117.51 119.66 2hfd h ILE 83 Ca 0.11 -0.87 -0.01 0.00 1.00 0.00 0.00 64.86 65.09 2hfd h ILE 83 Cb 0.77 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 2hfd h ILE 83 CO 0.06 0.30 0.07 1.23 0.00 0.00 0.00 178.15 179.82 2hfd h GLY 84 N 0.49 0.33 0.64 5.37 0.00 -0.93 -1.83 103.07 107.13 2hfd h GLY 84 Ca 0.12 -0.19 0.03 0.00 0.00 0.00 0.00 47.33 47.29 2hfd h GLY 84 CO 0.01 0.17 -0.08 -1.80 0.00 0.00 0.00 176.54 174.84 2hfd h ASP 85 N 0.17 -0.26 0.33 0.19 3.58 -0.64 0.43 116.42 120.22 2hfd h ASP 85 Ca 0.07 0.06 -0.05 0.00 0.42 0.00 0.00 57.03 57.53 2hfd h ASP 85 Cb 0.20 0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.38 2hfd h ASP 85 CO -0.00 -0.11 -0.22 -0.09 -2.88 0.00 0.00 179.24 175.94 2hfd h ARG 86 N -0.09 0.00 0.00 0.28 2.43 -1.13 -2.21 114.38 113.67 2hfd h ARG 86 Ca 0.07 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.15 2hfd h ARG 86 Cb 0.19 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 2hfd h ARG 86 CO -0.17 0.22 -1.03 0.35 -1.51 0.00 0.00 179.97 177.83 2hfd h PHE 87 N 0.00 0.00 -0.10 2.20 3.57 -0.56 -3.48 116.94 118.57 2hfd h PHE 87 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2hfd h PHE 87 Cb 0.44 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.18 2hfd h PHE 87 CO 0.00 0.36 0.00 0.41 -2.23 0.00 0.00 178.31 176.85 2hfd n GLY 88 N 1.28 1.15 2.84 2.40 0.00 0.14 -5.05 105.19 107.95 2hfd n GLY 88 Ca -0.04 -0.42 -0.28 0.00 0.00 0.00 0.00 46.02 45.28 2hfd n GLY 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2hfd s VAL 89 N -2.10 2.42 0.00 1.61 1.01 -0.52 -5.02 120.40 117.80 2hfd s VAL 89 Ca 0.00 -3.77 0.00 0.00 0.00 0.00 0.00 61.98 58.21 2hfd s VAL 89 Cb 0.00 -2.62 0.00 0.00 0.00 0.00 0.00 36.38 33.76 2hfd s VAL 89 CO 0.00 -0.98 0.00 0.49 0.00 0.00 0.00 175.10 174.61 2hfd n PHE 90 N 2.41 -0.46 -2.69 5.22 3.72 -1.26 -4.68 117.46 119.72 2hfd n PHE 90 Ca 0.17 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.55 2hfd n PHE 90 Cb 0.36 0.11 0.12 0.00 -0.94 0.00 0.00 39.48 39.13 2hfd n PHE 90 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 2hfd n ARG 91 N 0.00 1.38 -4.29 -1.08 0.63 -1.26 -4.20 116.66 107.83 2hfd n ARG 91 Ca 0.00 -1.47 -0.16 0.00 -0.92 0.00 0.00 57.85 55.30 2hfd n ARG 91 Cb 0.00 0.21 -0.10 0.00 0.45 0.00 0.00 32.46 33.02 2hfd n ARG 91 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 2hfd s PHE 92 N -0.19 1.46 0.15 -0.14 0.08 -1.26 -4.74 117.98 113.34 2hfd s PHE 92 Ca 0.12 -0.69 -0.34 0.00 0.12 0.00 0.00 56.93 56.14 2hfd s PHE 92 Cb 0.44 -0.72 -0.14 0.00 -0.57 0.00 0.00 43.02 42.02 2hfd s PHE 92 CO -0.12 0.19 1.50 -2.30 -0.10 0.00 0.00 175.22 174.40 2hfd n PRO 93 N -0.28 1.90 -3.60 0.24 -0.02 -1.20 -4.80 135.00 127.23 2hfd n PRO 93 Ca -0.09 0.68 -0.04 0.00 -2.02 0.00 0.00 63.50 62.03 2hfd n PRO 93 Cb 0.61 -2.41 -0.02 0.00 -0.02 0.00 0.00 33.50 31.66 2hfd n PRO 93 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2hfd s ALA 94 N 0.70 -2.08 -0.30 3.55 0.00 -0.99 -4.99 121.76 117.65 2hfd s ALA 94 Ca 0.79 1.65 -0.07 0.00 0.00 0.00 0.00 51.96 54.33 2hfd s ALA 94 Cb -0.74 -0.26 0.00 0.00 0.00 0.00 0.00 23.12 22.12 2hfd s ALA 94 CO 0.41 -0.56 0.09 0.99 0.00 0.00 0.00 175.76 176.70 2hfd s THR 95 N -2.24 4.08 -0.16 0.00 2.01 -1.08 -0.80 115.64 117.46 2hfd s THR 95 Ca 0.09 -0.63 -0.15 0.00 0.31 0.00 0.00 61.69 61.31 2hfd s THR 95 Cb -0.01 -3.09 -0.04 0.00 0.01 0.00 0.00 72.50 69.36 2hfd s THR 95 CO -0.04 0.09 0.35 -0.76 -0.69 0.00 0.00 174.62 173.56 2hfd s LEU 96 N 1.52 4.24 -0.19 4.42 1.43 0.19 -0.56 118.68 129.73 2hfd s LEU 96 Ca 0.03 0.57 -0.05 0.00 -1.03 0.00 0.00 54.13 53.65 2hfd s LEU 96 Cb -0.17 -2.46 -0.03 0.00 0.03 0.00 0.00 46.19 43.56 2hfd s LEU 96 CO 0.03 0.05 0.00 0.54 0.23 0.00 0.00 176.35 177.20 2hfd s VAL 97 N 0.62 4.01 -0.21 -1.59 0.11 -0.96 -0.71 120.40 121.66 2hfd s VAL 97 Ca 0.19 -0.30 -0.02 0.00 -2.93 0.00 0.00 61.98 58.92 2hfd s VAL 97 Cb -0.14 -2.81 0.00 0.00 -1.53 0.00 0.00 36.38 31.91 2hfd s VAL 97 CO 0.06 0.44 -0.08 -0.36 -3.33 0.00 0.00 175.10 171.82 2hfd s PHE 98 N 0.87 2.92 0.34 1.54 0.08 0.34 -0.92 117.98 123.15 2hfd s PHE 98 Ca 0.01 -1.18 0.05 0.00 0.12 0.00 0.00 56.93 55.93 2hfd s PHE 98 Cb -0.14 -2.06 0.05 0.00 -0.57 0.00 0.00 43.02 40.30 2hfd s PHE 98 CO 0.02 -0.63 0.43 2.41 -0.10 0.00 0.00 175.22 177.35 2hfd n THR 99 N 4.74 0.00 0.05 0.64 -1.04 0.84 -1.04 114.28 118.47 2hfd n THR 99 Ca -0.19 -1.16 0.20 0.00 -2.04 0.00 0.00 64.05 60.86 2hfd n THR 99 Cb 0.50 -0.63 0.73 0.00 -1.82 0.00 0.00 70.33 69.11 2hfd n THR 99 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 2hfd h GLY 100 N 0.11 0.00 -3.54 3.41 0.00 -1.98 0.39 103.07 101.46 2hfd h GLY 100 Ca -0.17 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.80 2hfd h GLY 100 CO 0.24 0.00 0.46 0.61 0.00 0.00 0.00 176.54 177.86 2hfd n GLY 101 N -1.57 3.85 7.00 4.60 0.00 -1.26 -5.05 105.19 112.77 2hfd n GLY 101 Ca 0.08 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.24 2hfd n GLY 101 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2hfd n ASN 102 N -0.66 -1.36 -4.65 1.61 4.05 0.14 -4.78 115.26 109.61 2hfd n ASN 102 Ca 0.45 0.00 -0.53 0.00 0.45 0.00 0.00 54.58 54.95 2hfd n ASN 102 Cb 1.40 0.00 -0.06 0.00 1.23 0.00 0.00 39.78 42.35 2hfd n ASN 102 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2hfd n TYR 103 N 0.00 1.87 -0.06 1.20 9.36 -1.26 -0.12 117.16 128.15 2hfd n TYR 103 Ca 0.00 0.50 -0.08 0.00 3.32 0.00 0.00 57.90 61.64 2hfd n TYR 103 Cb 0.00 -2.43 -0.03 0.00 -0.63 0.00 0.00 39.34 36.25 2hfd n TYR 103 CO 0.00 0.00 0.00 -2.13 0.22 0.00 0.00 176.86 174.95 2hfd n ARG 104 N 4.07 0.41 0.00 2.98 3.00 -0.10 -4.86 116.66 122.17 2hfd n ARG 104 Ca 0.22 0.16 0.00 0.00 -0.00 0.00 0.00 57.85 58.23 2hfd n ARG 104 Cb 0.19 -1.21 0.00 0.00 0.00 0.00 0.00 32.46 31.44 2hfd n ARG 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2hfd n GLY 105 N 1.93 1.22 2.98 5.14 0.00 -1.24 -5.05 105.19 110.17 2hfd n GLY 105 Ca -0.12 -0.60 -0.20 0.00 0.00 0.00 0.00 46.02 45.10 2hfd n GLY 105 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hfd s VAL 106 N -2.11 0.75 -0.31 1.61 0.11 -1.26 -2.27 120.40 116.91 2hfd s VAL 106 Ca 0.00 -0.32 -0.18 0.00 -2.93 0.00 0.00 61.98 58.55 2hfd s VAL 106 Cb 0.00 -0.68 -0.01 0.00 -1.53 0.00 0.00 36.38 34.15 2hfd s VAL 106 CO 0.00 0.24 0.52 -0.76 -3.33 0.00 0.00 175.10 171.77 2hfd s LEU 107 N 0.35 4.21 0.03 2.54 2.01 0.28 -4.97 118.68 123.13 2hfd s LEU 107 Ca -0.06 0.22 -0.16 0.00 0.01 0.00 0.00 54.13 54.14 2hfd s LEU 107 Cb -0.10 -2.63 0.03 0.00 0.01 0.00 0.00 46.19 43.50 2hfd s LEU 107 CO 0.01 -0.40 0.36 0.54 1.01 0.00 0.00 176.35 177.87 2hfd s ASN 108 N 1.68 -0.22 0.00 2.29 4.22 -1.26 -2.63 114.94 119.01 2hfd s ASN 108 Ca 0.20 -0.04 0.00 0.00 -2.14 0.00 0.00 52.86 50.88 2hfd s ASN 108 Cb -0.15 0.39 0.00 0.00 1.28 0.00 0.00 41.25 42.76 2hfd s ASN 108 CO 0.12 -0.62 0.00 0.61 -2.04 0.00 0.00 177.10 175.17 2hfd n GLY 109 N 0.64 0.82 3.41 0.45 0.00 -1.26 -5.01 105.19 104.24 2hfd n GLY 109 Ca -0.19 -0.59 -0.43 0.00 0.00 0.00 0.00 46.02 44.81 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 0.00 4.04 0.20 -0.61 2.08 -1.26 -4.14 119.36 119.68 2hfd n ILE 110 Ca 0.00 -4.26 0.00 0.00 0.56 0.00 0.00 62.75 59.05 2hfd n ILE 110 Cb 0.00 -2.42 0.00 0.00 -0.75 0.00 0.00 39.64 36.47 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 6.85 -4.18 -3.40 1.39 8.25 -1.26 -5.11 115.22 117.77 2hfd n HIS 111 Ca 0.44 1.31 -0.38 0.00 -0.26 0.00 0.00 57.72 58.83 2hfd n HIS 111 Cb 0.43 3.21 -0.08 0.00 1.12 0.00 0.00 29.99 34.68 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 -1.86 4.15 -0.01 -0.41 0.05 -1.26 -4.97 135.00 130.70 2hfd s PRO 112 Ca 0.00 0.17 -0.13 0.00 0.05 0.00 0.00 61.00 61.09 2hfd s PRO 112 Cb 0.00 -3.55 -0.33 0.00 0.05 0.00 0.00 34.50 30.67 2hfd s PRO 112 CO 0.00 -0.06 0.84 2.35 0.05 0.00 0.00 177.00 180.19 2hfd h TRP 113 N 7.45 0.83 -0.53 0.56 -0.00 -1.99 -2.61 115.95 119.66 2hfd h TRP 113 Ca -0.36 -0.61 -0.01 0.00 -0.00 0.00 0.00 58.89 57.92 2hfd h TRP 113 Cb 1.16 -0.03 -0.03 0.00 -0.00 0.00 0.00 29.16 30.26 2hfd h TRP 113 CO 0.69 1.60 0.30 0.00 -0.00 0.00 0.00 178.44 181.03 2hfd h ALA 114 N 0.16 0.68 -0.64 2.65 0.00 -1.99 -0.51 119.26 119.61 2hfd h ALA 114 Ca -0.29 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.46 2hfd h ALA 114 Cb 2.13 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 19.68 2hfd h ALA 114 CO 0.23 0.18 0.11 0.93 0.00 0.00 0.00 179.25 180.70 2hfd h GLU 115 N 0.71 1.03 -0.26 0.00 3.07 -1.99 -0.25 114.58 116.89 2hfd h GLU 115 Ca 0.19 -0.26 0.02 0.00 -0.50 0.00 0.00 59.36 58.81 2hfd h GLU 115 Cb 0.02 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 27.78 2hfd h GLU 115 CO -0.03 0.94 0.12 1.25 -1.40 0.00 0.00 179.01 179.88 2hfd h LEU 116 N 0.97 0.16 -0.69 1.33 7.12 -1.00 0.99 115.31 124.20 2hfd h LEU 116 Ca 0.20 0.02 -0.01 0.00 0.13 0.00 0.00 57.88 58.21 2hfd h LEU 116 Cb 0.40 -0.01 -0.03 0.00 -0.53 0.00 0.00 40.66 40.49 2hfd h LEU 116 CO 0.01 0.13 0.39 0.40 -0.13 0.00 0.00 178.44 179.23 2hfd h ILE 117 N 0.25 1.21 -0.17 4.05 2.04 -0.92 -1.76 117.51 122.21 2hfd h ILE 117 Ca 0.11 -0.51 0.02 0.00 1.00 0.00 0.00 64.86 65.48 2hfd h ILE 117 Cb 0.05 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 36.40 2hfd h ILE 117 CO -0.09 0.23 0.03 -1.13 0.00 0.00 0.00 178.15 177.19 2hfd h ASN 118 N 0.95 0.00 -0.53 1.72 -1.24 -0.29 0.19 115.58 116.37 2hfd h ASN 118 Ca 0.24 0.03 0.01 0.00 0.71 0.00 0.00 56.30 57.29 2hfd h ASN 118 Cb 0.02 0.04 -0.03 0.00 0.73 0.00 0.00 38.32 39.08 2hfd h ASN 118 CO -0.04 0.03 0.35 -0.07 -1.29 0.00 0.00 177.43 176.40 2hfd h LEU 119 N 0.10 0.59 -1.08 0.34 3.38 -0.68 -1.10 115.31 116.86 2hfd h LEU 119 Ca 0.08 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 2hfd h LEU 119 Cb 0.07 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 2hfd h LEU 119 CO -0.10 0.42 0.27 -0.03 0.09 0.00 0.00 178.44 179.09 2hfd h MET 120 N 0.70 0.92 -0.67 1.13 4.05 -0.74 -1.20 114.93 119.12 2hfd h MET 120 Ca 0.20 -0.14 -0.03 0.00 -0.28 0.00 0.00 59.70 59.45 2hfd h MET 120 Cb -0.06 -0.16 -0.03 0.00 -0.80 0.00 0.00 31.60 30.55 2hfd h MET 120 CO -0.06 0.74 0.28 -0.09 0.23 0.00 0.00 176.91 178.02 2hfd h ARG 121 N 0.91 0.99 -0.07 0.39 1.12 -0.10 0.20 114.38 117.82 2hfd h ARG 121 Ca 0.22 -0.17 -0.05 0.00 -1.11 0.00 0.00 59.98 58.87 2hfd h ARG 121 Cb 0.15 -0.17 -0.01 0.00 -0.01 0.00 0.00 29.97 29.94 2hfd h ARG 121 CO -0.02 0.81 -0.17 0.78 -3.11 0.00 0.00 179.97 178.26 2hfd h GLY 122 N 0.94 0.12 0.31 2.80 0.00 -0.55 0.13 103.07 106.82 2hfd h GLY 122 Ca 0.22 -0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.47 2hfd h GLY 122 CO -0.02 0.07 -0.10 1.41 0.00 0.00 0.00 176.54 177.90 2hfd h LEU 123 N 0.10 -0.23 -0.65 3.11 3.38 -0.49 -3.29 115.31 117.24 2hfd h LEU 123 Ca 0.02 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.71 2hfd h LEU 123 Cb 0.37 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 2hfd h LEU 123 CO 0.02 0.30 0.20 -0.37 0.09 0.00 0.00 178.44 178.68 2hfd h VAL 124 N -0.97 1.25 -3.46 1.22 -1.51 -0.54 -3.33 116.25 108.91 2hfd h VAL 124 Ca -0.03 -0.86 -0.71 0.00 -1.23 0.00 0.00 66.70 63.87 2hfd h VAL 124 Cb 0.45 0.58 -0.32 0.00 -2.13 0.00 0.00 31.29 29.86 2hfd h VAL 124 CO 0.05 0.33 -0.40 -0.70 -1.23 0.00 0.00 177.57 175.62 2hfd s GLU 125 N -5.41 2.43 0.46 5.19 2.12 0.45 -5.08 118.70 118.86 2hfd s GLU 125 Ca -0.12 -2.05 -0.25 0.00 0.36 0.00 0.00 54.97 52.91 2hfd s GLU 125 Cb 0.14 -3.80 -0.08 0.00 0.26 0.00 0.00 34.13 30.65 2hfd s GLU 125 CO 0.82 -1.16 1.42 -2.30 -0.54 0.00 0.00 175.26 173.50 2hfd n PRO 126 N 4.34 2.18 0.10 4.30 -0.02 -1.24 -4.35 135.00 140.30 2hfd n PRO 126 Ca -0.00 0.78 0.13 0.00 -2.02 0.00 0.00 63.50 62.39 2hfd n PRO 126 Cb 0.41 -2.61 0.39 0.00 -0.02 0.00 0.00 33.50 31.66 2hfd n PRO 126 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2hfd n GLN 127 N -0.27 0.26 -3.35 -0.52 -0.00 -1.26 -4.97 117.38 107.27 2hfd n GLN 127 Ca 0.06 0.20 -0.11 0.00 -0.00 0.00 0.00 57.00 57.15 2hfd n GLN 127 Cb 0.42 -1.79 0.01 0.00 -0.00 0.00 0.00 30.24 28.87 2hfd n GLN 127 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 2hfd n GLN 128 N -2.24 -1.42 -2.33 2.61 6.02 -1.26 -2.64 117.38 116.12 2hfd n GLN 128 Ca 0.05 1.15 -0.20 0.00 -0.01 0.00 0.00 57.00 57.99 2hfd n GLN 128 Cb 0.43 -4.59 -0.02 0.00 1.02 0.00 0.00 30.24 27.08 2hfd n GLN 128 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2hfd n GLU 129 N -2.34 -1.72 -2.40 -1.09 4.71 -1.26 -4.96 120.64 111.59 2hfd n GLU 129 Ca -0.11 0.99 -0.35 0.00 -0.01 0.00 0.00 57.16 57.68 2hfd n GLU 129 Cb 0.57 -5.62 -0.02 0.00 -1.01 0.00 0.00 31.44 25.37 2hfd n GLU 129 CO 0.00 0.00 0.00 0.50 0.09 0.00 0.00 177.13 177.72 2hfd s ARG 130 N -4.92 3.61 -0.21 3.49 6.06 -1.08 -4.93 118.95 120.96 2hfd s ARG 130 Ca 0.00 1.51 -0.29 0.00 -2.50 0.00 0.00 55.73 54.45 2hfd s ARG 130 Cb 0.00 -2.09 -0.04 0.00 0.06 0.00 0.00 34.95 32.88 2hfd s ARG 130 CO 0.00 -0.62 1.93 0.00 -2.50 0.00 0.00 175.30 174.12 2hfd s ALA 131 N -1.84 3.01 0.00 6.12 0.00 -1.26 -5.07 121.76 122.72 2hfd s ALA 131 Ca 0.69 0.65 0.00 0.00 0.00 0.00 0.00 51.96 53.30 2hfd s ALA 131 Cb -0.21 -3.97 0.00 0.00 0.00 0.00 0.00 23.12 18.94 2hfd s ALA 131 CO 0.24 -2.38 0.00 0.45 0.00 0.00 0.00 175.76 174.07