#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 2.61 0.28 6.12 0.15 -1.26 -5.10 113.70 116.50 2hfd s SER 2 Ca 0.00 -0.75 0.00 0.00 0.70 0.00 0.00 55.95 55.90 2hfd s SER 2 Cb 0.00 -0.30 0.00 0.00 -1.71 0.00 0.00 66.02 64.01 2hfd s SER 2 CO 0.00 -0.36 0.00 -3.20 1.20 0.00 0.00 173.24 170.88 2hfd n ASN 3 N 5.24 -4.57 -4.56 5.45 5.15 -1.26 -4.84 115.26 115.88 2hfd n ASN 3 Ca -0.07 0.79 -0.43 0.00 -0.60 0.00 0.00 54.58 54.27 2hfd n ASN 3 Cb 0.48 -2.01 -0.05 0.00 -0.53 0.00 0.00 39.78 37.66 2hfd n ASN 3 CO 0.00 0.00 0.00 1.51 1.40 0.00 0.00 177.26 180.17 2hfd s ASP 4 N -3.47 6.46 0.34 1.20 -4.77 -1.26 -4.68 116.67 110.49 2hfd s ASP 4 Ca 0.00 0.07 0.00 0.00 -3.30 0.00 0.00 52.55 49.32 2hfd s ASP 4 Cb 0.00 -2.38 0.00 0.00 -1.09 0.00 0.00 42.92 39.45 2hfd s ASP 4 CO 0.00 -0.81 0.00 0.41 0.70 0.00 0.00 175.17 175.47 2hfd n THR 5 N 5.95 0.00 0.00 2.11 -1.04 -1.26 -4.93 114.28 115.10 2hfd n THR 5 Ca 0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 2hfd n THR 5 Cb 0.48 -0.02 0.00 0.00 -1.82 0.00 0.00 70.33 68.97 2hfd n THR 5 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2hfd n PRO 6 N -3.20 0.00 0.04 -2.82 -0.04 -1.26 -0.33 135.00 127.39 2hfd n PRO 6 Ca 0.00 0.39 0.00 0.00 -0.04 0.00 0.00 63.50 63.86 2hfd n PRO 6 Cb 0.00 -1.39 0.31 0.00 -0.04 0.00 0.00 33.50 32.38 2hfd n PRO 6 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 2hfd h PHE 7 N 0.00 0.43 -0.07 0.54 3.04 -1.94 -1.56 116.94 117.38 2hfd h PHE 7 Ca 0.00 -0.05 0.03 0.00 3.98 0.00 0.00 57.97 61.93 2hfd h PHE 7 Cb 0.00 -0.12 -0.04 0.00 2.56 0.00 0.00 35.95 38.35 2hfd h PHE 7 CO 0.18 0.50 -0.14 0.22 -2.02 0.00 0.00 178.31 177.05 2hfd h ASP 8 N 0.39 -0.42 -0.41 0.41 3.58 -1.91 0.41 116.42 118.47 2hfd h ASP 8 Ca 0.08 0.07 -0.05 0.00 0.42 0.00 0.00 57.03 57.55 2hfd h ASP 8 Cb 0.40 0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.63 2hfd h ASP 8 CO 0.02 -0.19 0.07 0.00 -2.88 0.00 0.00 179.24 176.26 2hfd h ALA 9 N 0.80 0.54 -0.84 -0.78 0.00 -0.40 -1.96 119.26 116.62 2hfd h ALA 9 Ca 0.07 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 2hfd h ALA 9 Cb 0.30 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 2hfd h ALA 9 CO -0.19 0.25 0.41 -0.07 0.00 0.00 0.00 179.25 179.65 2hfd h LEU 10 N 0.52 1.10 -0.35 0.00 -0.00 -0.89 0.11 115.31 115.81 2hfd h LEU 10 Ca 0.12 -0.13 -0.04 0.00 -0.00 0.00 0.00 57.88 57.83 2hfd h LEU 10 Cb 0.37 -0.28 -0.01 0.00 -0.00 0.00 0.00 40.66 40.73 2hfd h LEU 10 CO 0.01 0.92 0.04 -0.25 -0.00 0.00 0.00 178.44 179.16 2hfd h TRP 11 N 1.20 0.63 -0.95 1.13 7.01 -0.07 -0.08 115.95 124.82 2hfd h TRP 11 Ca 0.29 -0.09 0.05 0.00 2.11 0.00 0.00 58.89 61.25 2hfd h TRP 11 Cb 0.11 -0.17 -0.06 0.00 -2.10 0.00 0.00 29.16 26.95 2hfd h TRP 11 CO 0.01 0.66 0.62 1.96 -2.79 0.00 0.00 178.44 178.90 2hfd h GLN 12 N 0.41 1.11 0.31 2.65 1.08 -0.86 0.35 115.11 120.16 2hfd h GLN 12 Ca 0.10 -0.07 -0.02 0.00 -1.45 0.00 0.00 58.65 57.22 2hfd h GLN 12 Cb 0.38 -0.25 0.00 0.00 -0.05 0.00 0.00 27.48 27.56 2hfd h GLN 12 CO 0.01 0.74 -0.15 0.00 -0.95 0.00 0.00 178.83 178.48 2hfd h ARG 13 N 1.15 -0.40 -0.25 1.46 2.47 -0.30 -0.06 114.38 118.45 2hfd h ARG 13 Ca 0.39 0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 59.12 2hfd h ARG 13 Cb 0.09 0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.48 2hfd h ARG 13 CO -0.13 -0.21 0.09 0.52 0.56 0.00 0.00 179.97 180.80 2hfd h MET 14 N -0.49 0.35 -0.60 0.04 2.86 -0.58 -1.36 114.93 115.16 2hfd h MET 14 Ca -0.04 -0.04 -0.10 0.00 -2.06 0.00 0.00 59.70 57.46 2hfd h MET 14 Cb 0.37 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 2hfd h MET 14 CO 0.07 0.30 -0.02 -0.07 1.06 0.00 0.00 176.91 178.25 2hfd h LEU 15 N 0.35 1.05 -1.84 1.22 -0.00 -0.04 -2.36 115.31 113.69 2hfd h LEU 15 Ca 0.09 -0.32 -0.01 0.00 -0.00 0.00 0.00 57.88 57.64 2hfd h LEU 15 Cb 0.09 -0.28 -0.00 0.00 -0.00 0.00 0.00 40.66 40.47 2hfd h LEU 15 CO -0.01 1.12 -0.04 0.00 -0.00 0.00 0.00 178.44 179.50 2hfd h ALA 16 N 0.98 1.05 -0.11 1.53 0.00 0.05 -1.90 119.26 120.86 2hfd h ALA 16 Ca 0.17 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.89 2hfd h ALA 16 Cb 0.59 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2hfd h ALA 16 CO 0.04 0.06 -0.56 0.00 0.00 0.00 0.00 179.25 178.79 2hfd h ARG 17 N 0.00 0.33 0.00 0.00 2.47 -0.80 -3.48 114.38 112.90 2hfd h ARG 17 Ca -0.00 -0.21 0.00 0.00 -1.26 0.00 0.00 59.98 58.51 2hfd h ARG 17 Cb 0.39 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.74 2hfd h ARG 17 CO 0.01 0.80 0.00 0.41 0.56 0.00 0.00 179.97 181.74 2hfd n GLY 18 N 0.19 1.10 3.99 0.04 0.00 -0.71 -5.12 105.19 104.68 2hfd n GLY 18 Ca -0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.80 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 2.10 -0.29 1.61 0.51 -1.21 -5.08 118.94 114.59 2hfd s TRP 19 Ca 0.00 -0.59 -0.11 0.00 -2.12 0.00 0.00 56.10 53.29 2hfd s TRP 19 Cb 0.00 -2.24 -0.03 0.00 -0.81 0.00 0.00 33.47 30.39 2hfd s TRP 19 CO 0.00 -0.69 0.17 0.99 -0.51 0.00 0.00 176.95 176.91 2hfd s THR 20 N -2.54 5.00 -0.07 2.01 2.01 -1.07 -4.85 115.64 116.13 2hfd s THR 20 Ca 0.55 -0.08 -0.29 0.00 0.31 0.00 0.00 61.69 62.17 2hfd s THR 20 Cb -0.07 -3.45 -0.02 0.00 0.01 0.00 0.00 72.50 68.97 2hfd s THR 20 CO 0.34 0.17 0.99 -2.84 -0.69 0.00 0.00 174.62 172.59 2hfd s PRO 21 N 1.70 4.46 0.01 4.92 0.02 -1.26 -0.70 135.00 144.15 2hfd s PRO 21 Ca 0.06 1.38 0.02 0.00 0.02 0.00 0.00 61.00 62.48 2hfd s PRO 21 Cb -0.16 -3.52 -0.01 0.00 0.02 0.00 0.00 34.50 30.83 2hfd s PRO 21 CO 0.09 -0.22 -0.06 0.54 -0.33 0.00 0.00 177.00 177.01 2hfd s VAL 22 N 1.67 0.49 0.42 3.83 0.11 0.12 -4.91 120.40 122.13 2hfd s VAL 22 Ca 0.49 -0.45 0.05 0.00 -2.93 0.00 0.00 61.98 59.14 2hfd s VAL 22 Cb -0.19 -0.45 0.01 0.00 -1.53 0.00 0.00 36.38 34.22 2hfd s VAL 22 CO 0.21 0.01 0.59 -0.44 -3.33 0.00 0.00 175.10 172.14 2hfd s SER 23 N -0.48 5.72 0.15 3.54 0.01 -1.26 -3.74 113.70 117.64 2hfd s SER 23 Ca -0.00 -0.15 -0.20 0.00 1.31 0.00 0.00 55.95 56.91 2hfd s SER 23 Cb -0.04 -1.04 0.04 0.00 0.21 0.00 0.00 66.02 65.19 2hfd s SER 23 CO -0.00 -0.71 1.66 -0.08 0.41 0.00 0.00 173.24 174.52 2hfd h GLU 24 N 0.58 -0.11 0.00 12.44 4.22 -1.98 0.14 114.58 129.87 2hfd h GLU 24 Ca -0.43 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.01 2hfd h GLU 24 Cb 1.27 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.55 2hfd h GLU 24 CO 0.51 -0.08 0.00 0.43 -2.18 0.00 0.00 179.01 177.69 2hfd n SER 25 N -5.32 0.00 -0.01 1.04 7.64 -1.26 -2.43 113.62 113.28 2hfd n SER 25 Ca -0.00 -0.05 0.07 0.00 1.01 0.00 0.00 58.87 59.89 2hfd n SER 25 Cb 0.23 -0.28 -0.11 0.00 -1.01 0.00 0.00 64.21 63.04 2hfd n SER 25 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2hfd n ARG 26 N -1.28 0.50 -0.30 1.43 3.00 -0.38 -4.53 116.66 115.10 2hfd n ARG 26 Ca 0.11 -0.13 0.02 0.00 -0.00 0.00 0.00 57.85 57.85 2hfd n ARG 26 Cb 0.18 -1.34 0.15 0.00 0.00 0.00 0.00 32.46 31.45 2hfd n ARG 26 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 2hfd h LEU 27 N 0.00 0.74 -0.19 6.15 7.12 -0.43 0.19 115.31 128.88 2hfd h LEU 27 Ca -0.02 0.03 -0.05 0.00 0.13 0.00 0.00 57.88 57.98 2hfd h LEU 27 Cb 0.71 -0.11 -0.01 0.00 -0.53 0.00 0.00 40.66 40.72 2hfd h LEU 27 CO 0.00 0.45 -0.07 -0.78 -0.13 0.00 0.00 178.44 177.91 2hfd h ASP 28 N 0.86 0.40 0.36 1.25 3.58 -1.80 0.11 116.42 121.18 2hfd h ASP 28 Ca 0.38 -0.39 -0.02 0.00 0.42 0.00 0.00 57.03 57.42 2hfd h ASP 28 Cb 0.27 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.22 2hfd h ASP 28 CO -0.21 0.70 -0.17 -0.78 -2.88 0.00 0.00 179.24 175.89 2hfd h ASP 29 N 0.10 -0.41 -0.69 2.28 3.58 -1.68 -0.98 116.42 118.63 2hfd h ASP 29 Ca 0.05 -0.00 0.04 0.00 0.42 0.00 0.00 57.03 57.54 2hfd h ASP 29 Cb 0.54 0.11 -0.05 0.00 1.72 0.00 0.00 39.33 41.64 2hfd h ASP 29 CO 0.02 -0.27 0.41 -0.25 -2.88 0.00 0.00 179.24 176.27 2hfd h TRP 30 N -0.50 0.77 -0.72 0.28 2.91 -0.63 -2.50 115.95 115.57 2hfd h TRP 30 Ca -0.05 0.02 -0.07 0.00 1.13 0.00 0.00 58.89 59.93 2hfd h TRP 30 Cb 0.38 -0.25 -0.03 0.00 -0.51 0.00 0.00 29.16 28.76 2hfd h TRP 30 CO -0.05 0.41 0.18 1.25 -1.03 0.00 0.00 178.44 179.21 2hfd h LEU 31 N 0.79 1.08 -1.21 0.65 5.85 -0.55 0.32 115.31 122.24 2hfd h LEU 31 Ca 0.29 -0.23 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 2hfd h LEU 31 Cb 0.08 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 2hfd h LEU 31 CO -0.14 1.03 -0.28 0.00 -0.34 0.00 0.00 178.44 178.72 2hfd h THR 32 N 1.08 0.74 0.12 1.05 1.03 -0.84 -3.04 112.91 113.06 2hfd h THR 32 Ca 0.23 -1.18 -0.30 0.00 -0.01 0.00 0.00 66.41 65.15 2hfd h THR 32 Cb 0.36 1.74 -0.00 0.00 -1.07 0.00 0.00 68.15 69.18 2hfd h THR 32 CO 0.00 0.27 -1.55 1.56 -0.01 0.00 0.00 175.52 175.80 2hfd h GLN 33 N 0.00 0.26 -6.72 0.00 4.20 -1.07 -3.47 115.11 108.32 2hfd h GLN 33 Ca -0.00 -0.45 -0.52 0.00 0.06 0.00 0.00 58.65 57.73 2hfd h GLN 33 Cb 0.72 0.17 0.05 0.00 0.30 0.00 0.00 27.48 28.71 2hfd h GLN 33 CO 0.04 1.21 0.72 0.00 -0.67 0.00 0.00 178.83 180.13 2hfd s ALA 34 N -2.50 3.59 0.14 3.87 0.00 0.11 -4.94 121.76 122.04 2hfd s ALA 34 Ca -0.20 1.25 -0.15 0.00 0.00 0.00 0.00 51.96 52.87 2hfd s ALA 34 Cb 0.05 -3.53 0.02 0.00 0.00 0.00 0.00 23.12 19.66 2hfd s ALA 34 CO 0.77 -0.67 1.70 -1.35 0.00 0.00 0.00 175.76 176.21 2hfd h PRO 35 N 5.16 0.67 -2.91 0.00 0.11 -1.88 -3.46 132.00 129.69 2hfd h PRO 35 Ca -0.46 -0.12 0.03 0.00 0.11 0.00 0.00 66.00 65.56 2hfd h PRO 35 Cb 1.22 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 2hfd h PRO 35 CO 0.78 0.61 0.32 0.34 -0.21 0.00 0.00 178.00 179.83 2hfd s ASP 36 N -5.91 -0.04 0.00 -2.05 -1.08 -1.25 -4.42 116.67 101.93 2hfd s ASP 36 Ca -0.13 -0.99 0.00 0.00 -0.52 0.00 0.00 52.55 50.91 2hfd s ASP 36 Cb 0.11 0.78 0.00 0.00 -1.46 0.00 0.00 42.92 42.34 2hfd s ASP 36 CO 0.76 -1.52 0.00 0.61 0.52 0.00 0.00 175.17 175.54 2hfd n GLY 37 N -0.54 -2.23 3.08 2.66 0.00 -1.26 -1.87 105.19 105.03 2hfd n GLY 37 Ca -0.07 -1.41 -0.09 0.00 0.00 0.00 0.00 46.02 44.45 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 -1.96 0.36 0.02 1.61 -7.23 -0.88 -3.55 120.40 108.78 2hfd s VAL 38 Ca 0.00 -1.55 0.05 0.00 -1.81 0.00 0.00 61.98 58.67 2hfd s VAL 38 Cb 0.00 -1.17 -0.02 0.00 0.56 0.00 0.00 36.38 35.75 2hfd s VAL 38 CO 0.00 -0.78 -0.14 -0.69 -0.31 0.00 0.00 175.10 173.18 2hfd s VAL 39 N -2.97 1.10 -0.03 1.32 1.01 -0.78 -1.04 120.40 119.01 2hfd s VAL 39 Ca 0.01 -0.84 -0.06 0.00 0.00 0.00 0.00 61.98 61.09 2hfd s VAL 39 Cb 0.01 -0.97 -0.04 0.00 0.00 0.00 0.00 36.38 35.38 2hfd s VAL 39 CO -0.05 0.12 0.22 -0.76 0.00 0.00 0.00 175.10 174.62 2hfd s LEU 40 N -0.83 4.38 -0.46 3.92 1.02 -1.13 -0.31 118.68 125.27 2hfd s LEU 40 Ca 0.03 0.50 -0.01 0.00 0.02 0.00 0.00 54.13 54.67 2hfd s LEU 40 Cb -0.07 -2.49 0.12 0.00 0.02 0.00 0.00 46.19 43.77 2hfd s LEU 40 CO 0.01 0.30 0.24 -0.22 0.02 0.00 0.00 176.35 176.70 2hfd s LEU 41 N -1.58 5.06 0.00 1.79 2.96 0.40 -4.53 118.68 122.78 2hfd s LEU 41 Ca 0.24 -2.37 0.00 0.00 -0.22 0.00 0.00 54.13 51.78 2hfd s LEU 41 Cb -0.13 -1.78 0.00 0.00 0.50 0.00 0.00 46.19 44.78 2hfd s LEU 41 CO 0.13 -0.44 0.00 -1.20 -1.32 0.00 0.00 176.35 173.53 2hfd n SER 42 N 4.09 -5.19 -3.92 3.68 7.64 -1.26 -2.22 113.62 116.45 2hfd n SER 42 Ca 0.02 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.72 2hfd n SER 42 Cb 0.40 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.50 2hfd n SER 42 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2hfd s SER 43 N -4.00 1.35 0.34 6.43 1.04 -1.26 -4.64 113.70 112.96 2hfd s SER 43 Ca 0.00 -1.56 -0.28 0.00 0.48 0.00 0.00 55.95 54.59 2hfd s SER 43 Cb 0.00 0.41 -0.10 0.00 0.10 0.00 0.00 66.02 66.44 2hfd s SER 43 CO 0.00 -0.91 1.21 -0.62 0.98 0.00 0.00 173.24 173.91 2hfd s ASP 44 N -3.34 6.81 1.04 7.02 2.15 -1.26 -4.64 116.67 124.45 2hfd s ASP 44 Ca 0.37 2.48 -0.04 0.00 0.43 0.00 0.00 52.55 55.79 2hfd s ASP 44 Cb 0.05 -2.63 0.06 0.00 -0.30 0.00 0.00 42.92 40.09 2hfd s ASP 44 CO 0.18 -0.49 0.21 -2.65 -0.17 0.00 0.00 175.17 172.26 2hfd n PRO 45 N 0.67 -1.34 0.15 4.34 -0.02 -1.26 -4.80 135.00 132.73 2hfd n PRO 45 Ca 0.01 -0.34 -0.24 0.00 -2.02 0.00 0.00 63.50 60.91 2hfd n PRO 45 Cb 0.44 -0.31 -0.16 0.00 -0.02 0.00 0.00 33.50 33.45 2hfd n PRO 45 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2hfd h LYS 46 N 0.00 0.53 0.00 -0.52 3.64 -2.03 -3.26 116.57 114.93 2hfd h LYS 46 Ca -0.08 -0.91 0.00 0.00 -1.27 0.00 0.00 60.65 58.39 2hfd h LYS 46 Cb 0.24 0.34 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 2hfd h LYS 46 CO 0.05 1.43 0.00 0.54 -2.27 0.00 0.00 179.45 179.21 2hfd n ARG 47 N -3.71 0.28 -5.01 1.90 1.74 -1.26 -4.60 116.66 106.01 2hfd n ARG 47 Ca -0.16 0.11 -0.29 0.00 -0.77 0.00 0.00 57.85 56.73 2hfd n ARG 47 Cb 1.10 -1.50 -0.17 0.00 -1.02 0.00 0.00 32.46 30.88 2hfd n ARG 47 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2hfd s THR 48 N -2.41 1.75 -0.43 0.55 2.01 -1.23 -5.03 115.64 110.84 2hfd s THR 48 Ca 0.16 -0.84 -0.02 0.00 0.31 0.00 0.00 61.69 61.30 2hfd s THR 48 Cb 0.10 -1.52 0.21 0.00 0.01 0.00 0.00 72.50 71.29 2hfd s THR 48 CO 0.21 0.49 2.25 -0.81 -0.69 0.00 0.00 174.62 176.07 2hfd n PRO 49 N 3.57 2.15 -2.60 4.92 -0.04 -1.26 -4.30 135.00 137.43 2hfd n PRO 49 Ca -0.20 -2.13 -0.08 0.00 -0.04 0.00 0.00 63.50 61.05 2hfd n PRO 49 Cb 0.53 -1.90 0.04 0.00 -0.04 0.00 0.00 33.50 32.13 2hfd n PRO 49 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2hfd n GLU 50 N 0.28 2.21 0.09 0.54 1.02 -1.26 -4.89 120.64 118.63 2hfd n GLU 50 Ca 0.41 -3.69 -0.22 0.00 -0.02 0.00 0.00 57.16 53.65 2hfd n GLU 50 Cb 0.57 -1.77 -0.13 0.00 -0.02 0.00 0.00 31.44 30.09 2hfd n GLU 50 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2hfd h VAL 51 N 4.39 1.29 0.00 2.62 2.07 -1.87 -3.40 116.25 121.35 2hfd h VAL 51 Ca 0.01 -2.47 -0.20 0.00 0.82 0.00 0.00 66.70 64.86 2hfd h VAL 51 Cb 1.32 2.68 -0.04 0.00 -1.52 0.00 0.00 31.29 33.73 2hfd h VAL 51 CO 0.38 0.75 -1.75 -0.24 0.02 0.00 0.00 177.57 176.73 2hfd n SER 52 N -3.78 2.92 0.00 0.57 2.88 -1.26 -4.35 113.62 110.59 2hfd n SER 52 Ca -0.13 -0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.34 2hfd n SER 52 Cb 0.98 -0.12 0.00 0.00 -0.75 0.00 0.00 64.21 64.32 2hfd n SER 52 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2hfd n ASP 53 N -2.84 0.00 -3.32 -3.46 2.03 -1.26 -4.50 116.55 103.20 2hfd n ASP 53 Ca -0.23 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 54.96 2hfd n ASP 53 Cb 0.76 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 41.10 2hfd n ASP 53 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2hfd s ASN 54 N -4.00 0.49 0.00 1.67 6.03 -1.26 -5.12 114.94 112.75 2hfd s ASN 54 Ca 0.00 -1.18 0.00 0.00 -1.03 0.00 0.00 52.86 50.65 2hfd s ASN 54 Cb 0.00 0.94 0.00 0.00 -3.03 0.00 0.00 41.25 39.16 2hfd s ASN 54 CO 0.00 -0.26 0.00 -0.81 -2.03 0.00 0.00 177.10 174.00 2hfd n PRO 55 N 4.51 0.00 0.00 3.55 -0.04 -1.26 -4.75 135.00 137.00 2hfd n PRO 55 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 2hfd n PRO 55 Cb 0.48 -0.19 0.00 0.00 -0.04 0.00 0.00 33.50 33.75 2hfd n PRO 55 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2hfd n VAL 56 N 0.00 0.00 0.29 0.52 0.31 -1.26 -4.49 118.33 113.71 2hfd n VAL 56 Ca 0.00 0.00 0.17 0.00 -0.01 0.00 0.00 64.34 64.50 2hfd n VAL 56 Cb 0.00 0.00 0.95 0.00 -0.91 0.00 0.00 33.84 33.88 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 -0.52 5.55 -0.00 -2.00 -2.09 114.93 115.87 2hfd h MET 57 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 59.70 59.72 2hfd h MET 57 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 31.57 2hfd h MET 57 CO 0.00 0.00 0.32 0.82 -0.00 0.00 0.00 176.91 178.05 2hfd h ILE 58 N 0.00 1.09 -0.41 -0.10 1.08 -1.98 0.22 117.51 117.41 2hfd h ILE 58 Ca 0.01 -0.22 -0.15 0.00 -0.39 0.00 0.00 64.86 64.11 2hfd h ILE 58 Cb 0.07 0.38 -0.01 0.00 -3.07 0.00 0.00 36.82 34.19 2hfd h ILE 58 CO -0.00 0.12 -0.33 1.23 -0.69 0.00 0.00 178.15 178.47 2hfd h GLY 59 N 0.65 1.03 1.13 5.37 0.00 -1.77 -2.81 103.07 106.66 2hfd h GLY 59 Ca 0.20 -1.01 -0.04 0.00 0.00 0.00 0.00 47.33 46.47 2hfd h GLY 59 CO -0.07 0.92 0.30 0.83 0.00 0.00 0.00 176.54 178.51 2hfd h GLU 60 N 0.77 1.11 0.72 4.80 4.39 -1.46 -3.12 114.58 121.80 2hfd h GLU 60 Ca 0.07 -0.19 -0.04 0.00 0.34 0.00 0.00 59.36 59.54 2hfd h GLU 60 Cb 0.93 -0.18 0.01 0.00 -0.10 0.00 0.00 28.75 29.40 2hfd h GLU 60 CO 0.09 0.90 -0.34 1.25 -1.16 0.00 0.00 179.01 179.74 2hfd h LEU 61 N 1.08 -0.82 -2.06 1.33 5.85 -0.36 -2.96 115.31 117.38 2hfd h LEU 61 Ca 0.25 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.99 2hfd h LEU 61 Cb 0.21 0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.45 2hfd h LEU 61 CO -0.02 -0.58 -0.05 -0.07 -0.34 0.00 0.00 178.44 177.38 2hfd h LEU 62 N -0.96 0.00 0.00 2.25 4.07 -1.53 -2.68 115.31 116.45 2hfd h LEU 62 Ca -0.10 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.86 2hfd h LEU 62 Cb 0.74 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.48 2hfd h LEU 62 CO 0.16 0.05 0.00 0.54 -1.08 0.00 0.00 178.44 178.11 2hfd n ARG 63 N -4.19 0.24 0.09 1.13 1.74 -1.12 -2.20 116.66 112.34 2hfd n ARG 63 Ca -0.03 0.08 0.12 0.00 -0.77 0.00 0.00 57.85 57.26 2hfd n ARG 63 Cb 0.13 -1.50 0.46 0.00 -1.02 0.00 0.00 32.46 30.53 2hfd n ARG 63 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 2hfd n GLU 64 N -1.35 0.18 -3.33 5.56 0.28 -1.01 -3.71 120.64 117.27 2hfd n GLU 64 Ca 0.09 0.24 -0.26 0.00 -0.16 0.00 0.00 57.16 57.08 2hfd n GLU 64 Cb 0.21 -1.75 -0.08 0.00 1.43 0.00 0.00 31.44 31.25 2hfd n GLU 64 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2hfd n PHE 65 N -2.06 1.34 0.23 -1.84 7.35 -0.94 -4.93 117.46 116.61 2hfd n PHE 65 Ca 0.05 -3.81 0.07 0.00 -0.76 0.00 0.00 57.45 53.00 2hfd n PHE 65 Cb 0.34 -0.41 0.24 0.00 0.35 0.00 0.00 39.48 40.00 2hfd n PHE 65 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 2hfd n PRO 66 N 1.30 2.53 0.11 -7.13 -0.04 -1.24 -4.06 135.00 126.47 2hfd n PRO 66 Ca 0.25 -1.89 0.12 0.00 -0.04 0.00 0.00 63.50 61.94 2hfd n PRO 66 Cb 0.47 -1.55 0.45 0.00 -0.04 0.00 0.00 33.50 32.83 2hfd n PRO 66 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2hfd n ASP 67 N 0.84 0.69 -3.82 3.54 2.03 -1.26 -4.80 116.55 113.76 2hfd n ASP 67 Ca 0.17 0.61 -0.23 0.00 0.52 0.00 0.00 54.79 55.86 2hfd n ASP 67 Cb 0.54 -0.78 -0.05 0.00 -0.72 0.00 0.00 41.12 40.11 2hfd n ASP 67 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2hfd n TYR 68 N -2.19 0.70 -4.02 -0.67 9.36 -1.26 -5.13 117.16 113.95 2hfd n TYR 68 Ca 0.04 -1.88 -0.35 0.00 3.32 0.00 0.00 57.90 59.03 2hfd n TYR 68 Cb 0.33 -0.19 -0.13 0.00 -0.63 0.00 0.00 39.34 38.72 2hfd n TYR 68 CO 0.00 0.00 0.00 0.95 0.22 0.00 0.00 176.86 178.03 2hfd s THR 69 N -2.43 3.79 -0.38 2.97 -4.23 -1.26 -5.08 115.64 109.02 2hfd s THR 69 Ca 0.03 -0.36 -0.08 0.00 -1.18 0.00 0.00 61.69 60.11 2hfd s THR 69 Cb 0.00 -2.72 0.06 0.00 1.34 0.00 0.00 72.50 71.18 2hfd s THR 69 CO 0.02 0.42 0.19 0.26 -0.54 0.00 0.00 174.62 174.97 2hfd s TRP 70 N 1.18 3.32 -0.43 3.99 0.52 -1.26 -3.85 118.94 122.41 2hfd s TRP 70 Ca 0.03 -1.55 -0.22 0.00 0.02 0.00 0.00 56.10 54.39 2hfd s TRP 70 Cb -0.14 -2.69 0.02 0.00 -1.15 0.00 0.00 33.47 29.51 2hfd s TRP 70 CO 0.01 -0.80 0.69 -0.65 0.02 0.00 0.00 176.95 176.22 2hfd s GLN 71 N 1.39 3.40 -0.29 4.98 1.11 -0.78 -4.90 119.66 124.57 2hfd s GLN 71 Ca 0.02 -0.19 -0.22 0.00 0.01 0.00 0.00 55.36 54.97 2hfd s GLN 71 Cb -0.21 -3.92 -0.01 0.00 -1.01 0.00 0.00 33.01 27.86 2hfd s GLN 71 CO 0.02 -1.00 0.72 0.08 0.01 0.00 0.00 175.29 175.13 2hfd s VAL 72 N 2.97 4.87 -0.14 1.09 1.01 -1.26 -2.06 120.40 126.88 2hfd s VAL 72 Ca 0.26 1.12 0.01 0.00 0.00 0.00 0.00 61.98 63.36 2hfd s VAL 72 Cb -0.13 -4.07 -0.01 0.00 0.00 0.00 0.00 36.38 32.17 2hfd s VAL 72 CO 0.19 -0.16 -0.16 0.00 0.00 0.00 0.00 175.10 174.98 2hfd s ALA 73 N 2.78 2.49 -0.03 5.51 0.00 -0.20 -2.59 121.76 129.72 2hfd s ALA 73 Ca 0.30 -0.97 0.07 0.00 0.00 0.00 0.00 51.96 51.36 2hfd s ALA 73 Cb -0.15 -1.15 -0.02 0.00 0.00 0.00 0.00 23.12 21.80 2hfd s ALA 73 CO 0.11 0.13 -0.25 0.96 0.00 0.00 0.00 175.76 176.71 2hfd s ILE 74 N 0.56 2.13 0.44 0.00 -4.36 0.12 -2.84 121.20 117.25 2hfd s ILE 74 Ca -0.10 -1.08 0.08 0.00 -0.26 0.00 0.00 60.65 59.29 2hfd s ILE 74 Cb -0.16 -1.74 -0.00 0.00 1.25 0.00 0.00 42.46 41.80 2hfd s ILE 74 CO 0.04 0.58 0.43 0.00 0.24 0.00 0.00 174.94 176.23 2hfd s ALA 75 N -0.55 4.20 1.18 2.27 0.00 -1.25 0.12 121.76 127.72 2hfd s ALA 75 Ca 0.08 -1.82 -0.15 0.00 0.00 0.00 0.00 51.96 50.08 2hfd s ALA 75 Cb -0.11 -1.11 0.28 0.00 0.00 0.00 0.00 23.12 22.18 2hfd s ALA 75 CO -0.00 -0.29 1.03 -0.51 0.00 0.00 0.00 175.76 175.99 2hfd s ASP 76 N -4.21 0.99 0.09 0.00 1.11 -1.25 -4.60 116.67 108.81 2hfd s ASP 76 Ca 0.49 1.23 -0.28 0.00 0.18 0.00 0.00 52.55 54.17 2hfd s ASP 76 Cb -0.04 -1.90 -0.13 0.00 1.07 0.00 0.00 42.92 41.92 2hfd s ASP 76 CO 0.29 -4.16 1.65 0.25 1.18 0.00 0.00 175.17 174.39 2hfd h LEU 77 N -2.59 -0.60 -0.37 1.23 6.46 -1.98 0.12 115.31 117.57 2hfd h LEU 77 Ca -0.57 0.05 -0.19 0.00 -0.12 0.00 0.00 57.88 57.05 2hfd h LEU 77 Cb 1.33 0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 41.46 2hfd h LEU 77 CO 0.48 -0.35 -0.80 -0.33 -0.62 0.00 0.00 178.44 176.83 2hfd h GLU 78 N -0.52 0.29 -0.38 1.25 4.39 -2.01 -3.31 114.58 114.28 2hfd h GLU 78 Ca -0.01 -0.27 -0.16 0.00 0.34 0.00 0.00 59.36 59.26 2hfd h GLU 78 Cb 0.46 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.17 2hfd h GLU 78 CO -0.03 0.94 -0.38 1.96 -1.16 0.00 0.00 179.01 180.35 2hfd h GLN 79 N 0.18 0.91 -0.01 2.33 7.50 -1.86 -2.17 115.11 122.00 2hfd h GLN 79 Ca -0.04 -0.47 0.03 0.00 0.50 0.00 0.00 58.65 58.67 2hfd h GLN 79 Cb 1.39 0.01 -0.04 0.00 0.05 0.00 0.00 27.48 28.89 2hfd h GLN 79 CO 0.13 1.12 -0.20 0.77 -1.50 0.00 0.00 178.83 179.16 2hfd h SER 80 N 0.74 -0.57 -0.56 1.46 0.02 -0.86 0.10 113.55 113.88 2hfd h SER 80 Ca 0.06 0.08 0.01 0.00 -0.84 0.00 0.00 61.79 61.10 2hfd h SER 80 Cb 0.96 0.24 -0.03 0.00 0.14 0.00 0.00 62.40 63.71 2hfd h SER 80 CO 0.09 -0.26 0.37 -0.08 -1.14 0.00 0.00 176.83 175.81 2hfd h GLU 81 N -0.31 0.74 -0.61 3.45 4.57 -1.65 -2.57 114.58 118.19 2hfd h GLU 81 Ca 0.06 -0.04 -0.06 0.00 -1.18 0.00 0.00 59.36 58.13 2hfd h GLU 81 Cb 0.39 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.79 2hfd h GLU 81 CO -0.19 0.49 0.13 0.00 -1.18 0.00 0.00 179.01 178.26 2hfd h ALA 82 N 1.21 0.81 -0.20 2.92 0.00 -0.92 -0.21 119.26 122.86 2hfd h ALA 82 Ca 0.21 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2hfd h ALA 82 Cb -0.08 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 2hfd h ALA 82 CO -0.05 0.54 0.08 0.82 0.00 0.00 0.00 179.25 180.64 2hfd h ILE 83 N 0.90 1.16 -0.33 0.00 2.04 -0.56 0.18 117.51 120.90 2hfd h ILE 83 Ca 0.19 -0.46 -0.04 0.00 1.00 0.00 0.00 64.86 65.55 2hfd h ILE 83 Cb 0.38 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 2hfd h ILE 83 CO 0.01 0.15 0.05 1.23 0.00 0.00 0.00 178.15 179.59 2hfd h GLY 84 N 0.18 0.58 0.70 5.37 0.00 -1.39 -2.21 103.07 106.31 2hfd h GLY 84 Ca 0.07 -0.39 0.06 0.00 0.00 0.00 0.00 47.33 47.06 2hfd h GLY 84 CO -0.01 0.36 0.38 -1.80 0.00 0.00 0.00 176.54 175.47 2hfd h ASP 85 N 0.37 0.57 0.49 0.19 3.58 -0.86 0.11 116.42 120.87 2hfd h ASP 85 Ca 0.10 0.03 -0.06 0.00 0.42 0.00 0.00 57.03 57.52 2hfd h ASP 85 Cb 0.35 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.30 2hfd h ASP 85 CO 0.01 0.37 -0.28 -0.09 -2.88 0.00 0.00 179.24 176.37 2hfd h ARG 86 N 0.70 0.00 0.13 0.28 2.43 -0.51 -2.65 114.38 114.76 2hfd h ARG 86 Ca 0.30 0.00 -0.30 0.00 -0.81 0.00 0.00 59.98 59.17 2hfd h ARG 86 Cb 0.17 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 29.74 2hfd h ARG 86 CO -0.17 0.28 -1.26 0.35 -1.51 0.00 0.00 179.97 177.66 2hfd h PHE 87 N 0.00 0.93 0.00 2.20 3.57 -0.63 -3.48 116.94 119.53 2hfd h PHE 87 Ca -0.00 -0.60 0.00 0.00 3.53 0.00 0.00 57.97 60.90 2hfd h PHE 87 Cb 0.60 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.27 2hfd h PHE 87 CO 0.00 1.44 0.00 0.41 -2.23 0.00 0.00 178.31 177.93 2hfd n GLY 88 N 1.41 1.17 3.47 2.40 0.00 -0.08 -5.09 105.19 108.47 2hfd n GLY 88 Ca -0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 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 0.00 4.20 -0.11 1.61 1.01 -0.63 -4.89 120.40 121.58 2hfd s VAL 89 Ca 0.00 -0.22 -0.16 0.00 0.00 0.00 0.00 61.98 61.60 2hfd s VAL 89 Cb 0.00 -4.74 -0.05 0.00 0.00 0.00 0.00 36.38 31.59 2hfd s VAL 89 CO 0.00 -1.55 0.39 0.72 0.00 0.00 0.00 175.10 174.66 2hfd s PHE 90 N 4.41 3.53 0.22 5.22 -0.71 -1.26 -2.84 117.98 126.55 2hfd s PHE 90 Ca 0.25 0.79 0.00 0.00 -1.04 0.00 0.00 56.93 56.94 2hfd s PHE 90 Cb -0.15 -2.42 0.00 0.00 -1.21 0.00 0.00 43.02 39.24 2hfd s PHE 90 CO 0.11 0.28 0.00 -2.13 -1.34 0.00 0.00 175.22 172.13 2hfd n ARG 91 N 3.31 -1.92 -1.86 1.99 3.00 -1.26 -5.03 116.66 114.89 2hfd n ARG 91 Ca -0.10 1.27 -0.01 0.00 -0.00 0.00 0.00 57.85 59.00 2hfd n ARG 91 Cb 0.52 -2.34 -0.01 0.00 0.00 0.00 0.00 32.46 30.63 2hfd n ARG 91 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 2hfd n PHE 92 N -3.15 -2.37 -2.07 -0.14 3.72 -1.26 -4.95 117.46 107.24 2hfd n PHE 92 Ca 0.01 1.39 -0.41 0.00 -0.05 0.00 0.00 57.45 58.39 2hfd n PHE 92 Cb 0.43 -2.84 -0.02 0.00 -0.94 0.00 0.00 39.48 36.11 2hfd n PHE 92 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2hfd s PRO 93 N -1.07 4.30 0.04 -1.08 0.04 -1.26 -4.94 135.00 131.03 2hfd s PRO 93 Ca -0.07 2.24 -0.09 0.00 0.04 0.00 0.00 61.00 63.12 2hfd s PRO 93 Cb 0.00 -3.12 0.03 0.00 0.04 0.00 0.00 34.50 31.46 2hfd s PRO 93 CO 0.20 -0.35 0.42 0.00 0.04 0.00 0.00 177.00 177.31 2hfd n ALA 94 N 2.15 -1.13 -3.23 8.56 0.00 -0.94 -4.98 120.51 120.94 2hfd n ALA 94 Ca 0.06 -0.35 -0.33 0.00 0.00 0.00 0.00 53.44 52.82 2hfd n ALA 94 Cb 0.41 0.15 -0.15 0.00 0.00 0.00 0.00 19.45 19.86 2hfd n ALA 94 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2hfd s THR 95 N -2.27 2.91 -0.35 0.00 2.01 -0.66 -0.46 115.64 116.82 2hfd s THR 95 Ca 0.10 -0.70 -0.17 0.00 0.31 0.00 0.00 61.69 61.23 2hfd s THR 95 Cb -0.01 -2.23 -0.01 0.00 0.01 0.00 0.00 72.50 70.27 2hfd s THR 95 CO 0.01 0.52 0.43 -0.76 -0.69 0.00 0.00 174.62 174.13 2hfd s LEU 96 N 0.56 4.43 -0.19 4.42 1.43 0.58 0.14 118.68 130.05 2hfd s LEU 96 Ca -0.08 -0.18 -0.10 0.00 -1.03 0.00 0.00 54.13 52.74 2hfd s LEU 96 Cb -0.16 -2.44 -0.05 0.00 0.03 0.00 0.00 46.19 43.57 2hfd s LEU 96 CO 0.04 -0.41 0.14 0.54 0.23 0.00 0.00 176.35 176.88 2hfd s VAL 97 N 2.18 5.41 0.31 -1.59 0.11 -1.00 -1.87 120.40 123.95 2hfd s VAL 97 Ca 0.15 0.21 0.08 0.00 -2.93 0.00 0.00 61.98 59.48 2hfd s VAL 97 Cb -0.16 -3.47 -0.06 0.00 -1.53 0.00 0.00 36.38 31.15 2hfd s VAL 97 CO 0.12 0.45 -0.07 -0.36 -3.33 0.00 0.00 175.10 171.91 2hfd s PHE 98 N 0.30 2.14 -0.21 1.54 0.08 -1.23 -1.54 117.98 119.05 2hfd s PHE 98 Ca 0.09 -0.62 -0.16 0.00 0.12 0.00 0.00 56.93 56.35 2hfd s PHE 98 Cb -0.11 -1.23 0.06 0.00 -0.57 0.00 0.00 43.02 41.17 2hfd s PHE 98 CO -0.01 0.40 0.53 0.99 -0.10 0.00 0.00 175.22 177.02 2hfd s THR 99 N -2.85 -0.01 -1.01 0.64 2.01 -0.06 -4.60 115.64 109.75 2hfd s THR 99 Ca 0.31 0.02 0.00 0.00 0.31 0.00 0.00 61.69 62.33 2hfd s THR 99 Cb 0.03 -0.75 0.00 0.00 0.01 0.00 0.00 72.50 71.79 2hfd s THR 99 CO 0.14 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.69 2hfd n GLY 100 N 3.33 0.94 1.74 4.40 0.00 -1.26 -0.58 105.19 113.76 2hfd n GLY 100 Ca -0.17 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 0.11 1.32 3.89 -0.02 0.00 -1.26 -5.04 105.19 104.19 2hfd n GLY 101 Ca -0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.09 6.53 -0.01 1.61 0.02 0.26 -5.05 114.94 115.21 2hfd s ASN 102 Ca 0.00 0.67 -0.30 0.00 -1.02 0.00 0.00 52.86 52.20 2hfd s ASN 102 Cb 0.00 -2.12 -0.04 0.00 0.02 0.00 0.00 41.25 39.10 2hfd s ASN 102 CO 0.00 0.06 1.22 -0.47 0.02 0.00 0.00 177.10 177.93 2hfd s TYR 103 N -1.63 3.23 -0.26 2.20 5.04 -1.26 -0.88 117.35 123.78 2hfd s TYR 103 Ca 0.40 1.20 -0.07 0.00 -2.44 0.00 0.00 57.07 56.16 2hfd s TYR 103 Cb -0.12 -3.45 -0.15 0.00 0.35 0.00 0.00 41.96 38.59 2hfd s TYR 103 CO 0.23 -1.44 -0.25 0.54 -1.34 0.00 0.00 175.55 173.29 2hfd n ARG 104 N 4.78 0.62 -3.55 4.97 5.12 -0.59 -4.91 116.66 123.10 2hfd n ARG 104 Ca 0.10 0.22 0.00 0.00 -1.93 0.00 0.00 57.85 56.25 2hfd n ARG 104 Cb 0.46 -1.52 0.00 0.00 -1.16 0.00 0.00 32.46 30.24 2hfd n ARG 104 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2hfd n GLY 105 N 1.74 -0.93 3.20 -0.13 0.00 -1.18 -4.98 105.19 102.92 2hfd n GLY 105 Ca -0.49 -0.96 -0.29 0.00 0.00 0.00 0.00 46.02 44.27 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 -3.00 1.80 -0.41 1.61 0.11 -1.26 -2.37 120.40 116.88 2hfd s VAL 106 Ca 0.00 -0.91 -0.15 0.00 -2.93 0.00 0.00 61.98 57.99 2hfd s VAL 106 Cb 0.00 -1.54 0.02 0.00 -1.53 0.00 0.00 36.38 33.33 2hfd s VAL 106 CO 0.00 0.51 0.30 -0.76 -3.33 0.00 0.00 175.10 171.81 2hfd s LEU 107 N 0.04 5.11 -0.51 2.54 1.43 0.12 -4.96 118.68 122.45 2hfd s LEU 107 Ca -0.07 -0.92 0.04 0.00 -1.03 0.00 0.00 54.13 52.15 2hfd s LEU 107 Cb -0.14 -2.15 0.17 0.00 0.03 0.00 0.00 46.19 44.09 2hfd s LEU 107 CO 0.04 -0.45 0.38 0.21 0.23 0.00 0.00 176.35 176.76 2hfd s ASN 108 N 1.71 2.84 -0.45 2.29 3.84 -1.26 -1.65 114.94 122.26 2hfd s ASN 108 Ca 0.05 -3.27 0.07 0.00 0.21 0.00 0.00 52.86 49.92 2hfd s ASN 108 Cb -0.19 -0.90 0.29 0.00 -0.55 0.00 0.00 41.25 39.90 2hfd s ASN 108 CO 0.10 -0.15 0.91 0.61 -2.79 0.00 0.00 177.10 175.77 2hfd n GLY 109 N 2.65 1.19 3.57 1.21 0.00 -1.26 -5.07 105.19 107.49 2hfd n GLY 109 Ca 0.24 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 2hfd n GLY 109 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2hfd s ILE 110 N -0.22 4.09 0.00 -0.61 -1.09 -1.26 -4.04 121.20 118.07 2hfd s ILE 110 Ca 0.30 -1.57 0.00 0.00 -2.23 0.00 0.00 60.65 57.15 2hfd s ILE 110 Cb 0.26 -5.14 0.00 0.00 -1.58 0.00 0.00 42.46 36.00 2hfd s ILE 110 CO -0.13 -1.99 0.00 1.57 -1.23 0.00 0.00 174.94 173.17 2hfd n HIS 111 N 8.47 0.00 -2.83 3.97 -0.00 -1.26 -5.08 115.22 118.49 2hfd n HIS 111 Ca 0.43 0.00 -0.42 0.00 0.46 0.00 0.00 57.72 58.20 2hfd n HIS 111 Cb 0.48 0.00 -0.04 0.00 -0.12 0.00 0.00 29.99 30.31 2hfd n HIS 111 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 2hfd s PRO 112 N 0.00 4.35 -0.09 1.57 0.05 -1.26 -4.96 135.00 134.66 2hfd s PRO 112 Ca 0.00 1.14 -0.27 0.00 0.05 0.00 0.00 61.00 61.92 2hfd s PRO 112 Cb 0.00 -3.55 -0.25 0.00 0.05 0.00 0.00 34.50 30.75 2hfd s PRO 112 CO 0.00 -0.29 0.93 2.35 0.05 0.00 0.00 177.00 180.03 2hfd h TRP 113 N 7.20 0.08 -0.98 0.56 -0.00 -1.99 -2.09 115.95 118.74 2hfd h TRP 113 Ca -0.31 -0.05 0.05 0.00 -0.00 0.00 0.00 58.89 58.59 2hfd h TRP 113 Cb 1.14 -0.01 -0.06 0.00 -0.00 0.00 0.00 29.16 30.23 2hfd h TRP 113 CO 0.71 0.90 0.64 0.00 -0.00 0.00 0.00 178.44 180.69 2hfd h ALA 114 N 0.16 1.41 -0.05 2.65 0.00 -2.00 -1.33 119.26 120.09 2hfd h ALA 114 Ca -0.01 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.67 2hfd h ALA 114 Cb 0.93 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2hfd h ALA 114 CO 0.02 0.47 -0.78 1.49 0.00 0.00 0.00 179.25 180.45 2hfd h GLU 115 N 1.18 0.35 -0.67 0.00 4.81 -1.98 -2.43 114.58 115.84 2hfd h GLU 115 Ca 0.41 -0.31 0.01 0.00 -0.13 0.00 0.00 59.36 59.33 2hfd h GLU 115 Cb 0.10 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.52 2hfd h GLU 115 CO -0.14 0.97 0.44 1.25 -0.73 0.00 0.00 179.01 180.80 2hfd h LEU 116 N 0.23 0.77 -0.29 1.64 5.85 -0.63 -1.23 115.31 121.66 2hfd h LEU 116 Ca -0.04 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.68 2hfd h LEU 116 Cb 1.37 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 42.18 2hfd h LEU 116 CO 0.13 0.56 0.12 0.40 -0.34 0.00 0.00 178.44 179.31 2hfd h ILE 117 N 0.91 0.95 -0.34 4.05 2.04 -1.15 0.06 117.51 124.03 2hfd h ILE 117 Ca 0.25 -0.09 0.07 0.00 1.00 0.00 0.00 64.86 66.08 2hfd h ILE 117 Cb -0.10 0.67 -0.06 0.00 -0.74 0.00 0.00 36.82 36.59 2hfd h ILE 117 CO -0.05 0.05 -0.04 -1.13 0.00 0.00 0.00 178.15 176.97 2hfd h ASN 118 N 0.26 -0.23 0.28 1.72 -0.73 -0.88 0.27 115.58 116.26 2hfd h ASN 118 Ca 0.12 0.09 -0.01 0.00 1.87 0.00 0.00 56.30 58.37 2hfd h ASN 118 Cb 0.07 0.18 0.00 0.00 0.27 0.00 0.00 38.32 38.84 2hfd h ASN 118 CO -0.11 -0.08 -0.13 -0.07 -0.37 0.00 0.00 177.43 176.67 2hfd h LEU 119 N 0.04 -0.32 -0.07 0.34 3.38 -1.02 0.49 115.31 118.15 2hfd h LEU 119 Ca 0.17 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 58.00 2hfd h LEU 119 Cb 0.24 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 2hfd h LEU 119 CO -0.32 -0.01 -0.09 -0.03 0.09 0.00 0.00 178.44 178.09 2hfd h MET 120 N -0.65 -0.12 -0.12 1.13 4.05 -0.73 0.73 114.93 119.21 2hfd h MET 120 Ca -0.04 0.01 -0.05 0.00 -0.28 0.00 0.00 59.70 59.34 2hfd h MET 120 Cb 0.46 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.28 2hfd h MET 120 CO 0.06 -0.08 -0.17 -0.09 0.23 0.00 0.00 176.91 176.87 2hfd h ARG 121 N -0.12 0.20 -0.01 0.39 2.43 -0.52 -0.09 114.38 116.66 2hfd h ARG 121 Ca 0.06 -0.05 -0.15 0.00 -0.81 0.00 0.00 59.98 59.03 2hfd h ARG 121 Cb 0.21 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 2hfd h ARG 121 CO -0.14 0.38 -0.68 0.78 -1.51 0.00 0.00 179.97 178.79 2hfd h GLY 122 N 0.78 0.08 0.00 2.80 0.00 -0.06 -1.03 103.07 105.64 2hfd h GLY 122 Ca 0.04 -0.11 -0.10 0.00 0.00 0.00 0.00 47.33 47.16 2hfd h GLY 122 CO 0.03 0.10 -0.58 1.41 0.00 0.00 0.00 176.54 177.50 2hfd h LEU 123 N 0.05 0.00 0.00 3.11 3.38 -0.06 -3.37 115.31 118.42 2hfd h LEU 123 Ca -0.01 -0.60 -0.11 0.00 0.09 0.00 0.00 57.88 57.25 2hfd h LEU 123 Cb 1.21 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.95 2hfd h LEU 123 CO 0.09 1.14 -0.62 -0.37 0.09 0.00 0.00 178.44 178.77 2hfd h VAL 124 N -1.00 0.76 -6.05 1.22 -1.51 -1.20 -3.47 116.25 104.99 2hfd h VAL 124 Ca -0.15 -2.11 -0.12 0.00 -1.23 0.00 0.00 66.70 63.09 2hfd h VAL 124 Cb 0.99 2.33 0.01 0.00 -2.13 0.00 0.00 31.29 32.49 2hfd h VAL 124 CO -0.09 0.43 -1.00 1.21 -1.23 0.00 0.00 177.57 176.90 2hfd n GLU 125 N -3.16 -1.66 -2.01 5.19 2.13 -0.39 -4.82 120.64 115.92 2hfd n GLU 125 Ca 0.00 1.53 -0.28 0.00 0.66 0.00 0.00 57.16 59.07 2hfd n GLU 125 Cb 0.74 -2.76 -0.05 0.00 0.27 0.00 0.00 31.44 29.64 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 -1.78 2.50 0.16 5.31 0.02 -1.26 -4.82 135.00 135.13 2hfd s PRO 126 Ca 0.15 -0.05 -0.12 0.00 0.02 0.00 0.00 61.00 61.01 2hfd s PRO 126 Cb -0.02 -4.91 0.05 0.00 0.02 0.00 0.00 34.50 29.64 2hfd s PRO 126 CO 0.52 -3.32 1.67 1.96 -0.33 0.00 0.00 177.00 177.50 2hfd h GLN 127 N 12.19 0.89 -2.33 5.54 4.20 -1.95 -3.06 115.11 130.59 2hfd h GLN 127 Ca 0.02 -0.21 -0.73 0.00 0.06 0.00 0.00 58.65 57.79 2hfd h GLN 127 Cb 1.04 -0.12 -0.19 0.00 0.30 0.00 0.00 27.48 28.51 2hfd h GLN 127 CO 1.20 0.83 1.51 1.04 -0.67 0.00 0.00 178.83 182.73 2hfd n GLN 128 N -4.40 4.30 -3.15 1.46 6.02 -1.26 -4.68 117.38 115.67 2hfd n GLN 128 Ca 0.02 -3.66 0.04 0.00 -0.01 0.00 0.00 57.00 53.39 2hfd n GLN 128 Cb 0.23 -2.46 -0.00 0.00 1.02 0.00 0.00 30.24 29.02 2hfd n GLN 128 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 2hfd s GLU 129 N -2.57 0.52 0.00 -1.09 -6.30 -1.16 -5.00 118.70 103.10 2hfd s GLU 129 Ca 0.50 0.68 0.00 0.00 -2.50 0.00 0.00 54.97 53.65 2hfd s GLU 129 Cb 0.25 0.35 0.00 0.00 0.00 0.00 0.00 34.13 34.73 2hfd s GLU 129 CO -0.16 -0.79 0.01 2.89 0.02 0.00 0.00 175.26 177.22 2hfd n ARG 130 N 5.41 0.00 -3.21 4.30 1.85 -1.26 -4.93 116.66 118.82 2hfd n ARG 130 Ca 0.02 -0.01 -0.00 0.00 -1.00 0.00 0.00 57.85 56.87 2hfd n ARG 130 Cb 0.53 -0.05 -0.03 0.00 -1.05 0.00 0.00 32.46 31.86 2hfd n ARG 130 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2hfd s ALA 131 N 0.00 -1.92 -2.85 2.89 0.00 -1.26 -5.28 121.76 113.34 2hfd s ALA 131 Ca 0.00 1.36 0.25 0.00 0.00 0.00 0.00 51.96 53.57 2hfd s ALA 131 Cb 0.00 -2.11 0.44 0.00 0.00 0.00 0.00 23.12 21.46 2hfd s ALA 131 CO 0.00 -1.43 1.40 0.43 0.00 0.00 0.00 175.76 176.16