#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 -3.84 -4.48 3.17 2.88 -1.26 -4.72 113.62 105.37 2hfd n SER 2 Ca 0.00 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.19 2hfd n SER 2 Cb 0.00 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.34 2hfd n SER 2 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 2hfd s ASN 3 N -4.00 4.95 -0.92 -3.46 -0.87 -1.26 -5.03 114.94 104.35 2hfd s ASN 3 Ca 0.00 -0.15 -0.24 0.00 -1.57 0.00 0.00 52.86 50.89 2hfd s ASN 3 Cb 0.00 -1.84 -0.04 0.00 -0.02 0.00 0.00 41.25 39.35 2hfd s ASN 3 CO 0.00 0.09 1.90 -1.81 -2.57 0.00 0.00 177.10 174.71 2hfd s ASP 4 N 0.86 5.27 0.37 -1.22 1.11 -1.26 -4.03 116.67 117.76 2hfd s ASP 4 Ca 0.01 -0.76 0.00 0.00 0.18 0.00 0.00 52.55 51.98 2hfd s ASP 4 Cb -0.14 -2.56 0.00 0.00 1.07 0.00 0.00 42.92 41.29 2hfd s ASP 4 CO 0.02 -2.63 0.00 0.41 1.18 0.00 0.00 175.17 174.15 2hfd n THR 5 N 7.78 0.00 0.13 -1.27 -1.04 -1.26 -4.69 114.28 113.93 2hfd n THR 5 Ca 0.40 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 62.27 2hfd n THR 5 Cb 0.47 -0.17 -0.08 0.00 -1.82 0.00 0.00 70.33 68.73 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 -0.28 -0.29 -2.82 0.13 -2.00 0.10 132.00 126.84 2hfd h PRO 6 Ca 0.00 0.02 -0.10 0.00 -0.87 0.00 0.00 66.00 65.05 2hfd h PRO 6 Cb 0.00 0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.18 2hfd h PRO 6 CO 0.00 -0.07 -0.22 0.35 -0.23 0.00 0.00 178.00 177.83 2hfd h PHE 7 N -0.46 0.61 0.29 1.56 3.57 -1.92 -1.58 116.94 119.01 2hfd h PHE 7 Ca -0.03 -0.13 -0.01 0.00 3.53 0.00 0.00 57.97 61.34 2hfd h PHE 7 Cb 0.35 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 2hfd h PHE 7 CO -0.02 0.73 -0.20 0.22 -2.23 0.00 0.00 178.31 176.82 2hfd h ASP 8 N 0.49 -0.50 -0.45 0.41 3.58 -1.81 -0.32 116.42 117.82 2hfd h ASP 8 Ca 0.07 0.03 0.03 0.00 0.42 0.00 0.00 57.03 57.59 2hfd h ASP 8 Cb 0.66 0.15 -0.04 0.00 1.72 0.00 0.00 39.33 41.82 2hfd h ASP 8 CO 0.05 -0.31 0.23 0.00 -2.88 0.00 0.00 179.24 176.33 2hfd h ALA 9 N 0.19 0.56 0.02 -0.78 0.00 -0.68 0.12 119.26 118.69 2hfd h ALA 9 Ca -0.03 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.91 2hfd h ALA 9 Cb 0.41 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2hfd h ALA 9 CO 0.02 -0.11 -0.12 -0.07 0.00 0.00 0.00 179.25 178.96 2hfd h LEU 10 N 0.46 -0.34 -0.52 0.00 -0.00 -1.06 0.99 115.31 114.83 2hfd h LEU 10 Ca 0.19 0.05 -0.07 0.00 -0.00 0.00 0.00 57.88 58.05 2hfd h LEU 10 Cb 0.08 0.14 -0.02 0.00 -0.00 0.00 0.00 40.66 40.87 2hfd h LEU 10 CO -0.13 -0.17 0.06 -0.25 -0.00 0.00 0.00 178.44 177.95 2hfd h TRP 11 N -0.21 0.95 -0.19 1.13 7.01 -0.81 -1.77 115.95 122.06 2hfd h TRP 11 Ca 0.04 -0.14 0.01 0.00 2.11 0.00 0.00 58.89 60.90 2hfd h TRP 11 Cb 0.26 -0.26 -0.01 0.00 -2.10 0.00 0.00 29.16 27.05 2hfd h TRP 11 CO -0.17 0.86 0.13 1.96 -2.79 0.00 0.00 178.44 178.43 2hfd h GLN 12 N 0.76 0.23 0.27 2.65 1.08 -0.72 0.22 115.11 119.60 2hfd h GLN 12 Ca 0.16 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.34 2hfd h GLN 12 Cb 0.45 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.81 2hfd h GLN 12 CO 0.02 0.15 -0.25 0.00 -0.95 0.00 0.00 178.83 177.80 2hfd h ARG 13 N 0.24 -0.52 -0.13 1.46 2.47 0.10 0.26 114.38 118.26 2hfd h ARG 13 Ca 0.07 0.04 -0.08 0.00 -1.26 0.00 0.00 59.98 58.75 2hfd h ARG 13 Cb 0.00 0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 28.43 2hfd h ARG 13 CO -0.02 -0.35 -0.28 0.52 0.56 0.00 0.00 179.97 180.41 2hfd h MET 14 N -0.54 0.24 -0.12 0.04 2.86 -1.16 -3.00 114.93 113.25 2hfd h MET 14 Ca -0.01 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.53 2hfd h MET 14 Cb 0.49 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.13 2hfd h MET 14 CO -0.04 0.51 0.03 -0.07 1.06 0.00 0.00 176.91 178.40 2hfd h LEU 15 N 0.22 0.18 -1.43 1.22 -0.00 -0.21 -2.86 115.31 112.43 2hfd h LEU 15 Ca 0.03 -0.23 0.00 0.00 -0.00 0.00 0.00 57.88 57.68 2hfd h LEU 15 Cb 0.62 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 41.23 2hfd h LEU 15 CO 0.04 0.36 0.00 0.00 -0.00 0.00 0.00 178.44 178.85 2hfd h ALA 16 N 0.82 1.00 0.00 1.53 0.00 -0.41 -0.82 119.26 121.39 2hfd h ALA 16 Ca 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2hfd h ALA 16 Cb 0.25 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 2hfd h ALA 16 CO 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 179.25 179.17 2hfd h ARG 17 N 0.00 0.00 0.00 0.00 2.47 -1.37 -3.47 114.38 112.01 2hfd h ARG 17 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2hfd h ARG 17 Cb 0.26 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.58 2hfd h ARG 17 CO 0.00 0.08 0.00 0.41 0.56 0.00 0.00 179.97 181.02 2hfd n GLY 18 N 0.43 1.24 3.96 0.04 0.00 -0.31 -5.11 105.19 105.45 2hfd n GLY 18 Ca 0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 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 2.98 -0.13 1.61 0.51 -1.22 -5.09 118.94 115.60 2hfd s TRP 19 Ca 0.00 0.08 -0.01 0.00 -2.12 0.00 0.00 56.10 54.06 2hfd s TRP 19 Cb 0.00 -2.62 -0.02 0.00 -0.81 0.00 0.00 33.47 30.02 2hfd s TRP 19 CO 0.00 -0.71 -0.11 0.99 -0.51 0.00 0.00 176.95 176.61 2hfd s THR 20 N -2.70 3.24 -0.05 2.01 2.01 -1.21 -4.79 115.64 114.15 2hfd s THR 20 Ca 0.54 -0.60 -0.30 0.00 0.31 0.00 0.00 61.69 61.65 2hfd s THR 20 Cb -0.10 -2.37 -0.05 0.00 0.01 0.00 0.00 72.50 69.99 2hfd s THR 20 CO 0.38 0.53 1.54 -2.16 -0.69 0.00 0.00 174.62 174.22 2hfd s PRO 21 N 0.24 4.21 0.04 4.92 0.04 -1.25 -1.37 135.00 141.83 2hfd s PRO 21 Ca -0.07 2.07 0.05 0.00 0.04 0.00 0.00 61.00 63.09 2hfd s PRO 21 Cb -0.15 -3.84 -0.03 0.00 0.04 0.00 0.00 34.50 30.52 2hfd s PRO 21 CO 0.05 -0.76 -0.12 0.54 0.04 0.00 0.00 177.00 176.75 2hfd s VAL 22 N 3.52 3.27 0.39 -0.36 0.11 0.10 -4.89 120.40 122.53 2hfd s VAL 22 Ca 0.68 -1.03 0.08 0.00 -2.93 0.00 0.00 61.98 58.78 2hfd s VAL 22 Cb -0.31 -2.43 -0.05 0.00 -1.53 0.00 0.00 36.38 32.06 2hfd s VAL 22 CO 0.27 0.31 0.19 -0.44 -3.33 0.00 0.00 175.10 172.10 2hfd s SER 23 N -1.59 4.56 0.13 3.54 0.01 -1.26 -4.32 113.70 114.77 2hfd s SER 23 Ca 0.17 -0.95 -0.19 0.00 1.31 0.00 0.00 55.95 56.29 2hfd s SER 23 Cb -0.11 -0.56 -0.04 0.00 0.21 0.00 0.00 66.02 65.52 2hfd s SER 23 CO 0.08 -0.48 1.79 -0.08 0.41 0.00 0.00 173.24 174.96 2hfd h GLU 24 N 1.43 0.33 0.00 12.44 4.22 -1.99 0.17 114.58 131.18 2hfd h GLU 24 Ca -0.43 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 58.99 2hfd h GLU 24 Cb 1.25 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2hfd h GLU 24 CO 0.66 0.22 0.00 0.43 -2.18 0.00 0.00 179.01 178.15 2hfd n SER 25 N -4.91 0.00 -0.03 1.04 7.64 -1.26 -1.93 113.62 114.17 2hfd n SER 25 Ca -0.02 0.28 0.01 0.00 1.01 0.00 0.00 58.87 60.15 2hfd n SER 25 Cb 0.03 -0.40 -0.01 0.00 -1.01 0.00 0.00 64.21 62.82 2hfd n SER 25 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2hfd n ARG 26 N -1.40 4.17 0.02 1.43 5.12 -0.83 -4.21 116.66 120.96 2hfd n ARG 26 Ca 0.06 -0.20 -0.12 0.00 -1.93 0.00 0.00 57.85 55.67 2hfd n ARG 26 Cb 0.17 -0.75 -0.06 0.00 -1.16 0.00 0.00 32.46 30.66 2hfd n ARG 26 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 2hfd h LEU 27 N 0.16 0.06 0.05 0.55 7.12 0.01 0.28 115.31 123.55 2hfd h LEU 27 Ca 0.00 -0.02 -0.26 0.00 0.13 0.00 0.00 57.88 57.73 2hfd h LEU 27 Cb 0.07 -0.02 0.00 0.00 -0.53 0.00 0.00 40.66 40.19 2hfd h LEU 27 CO 0.00 0.07 -1.16 -0.78 -0.13 0.00 0.00 178.44 176.44 2hfd h ASP 28 N 0.05 0.41 0.64 1.25 3.58 -1.82 -2.36 116.42 118.17 2hfd h ASP 28 Ca 0.02 -0.41 -0.03 0.00 0.42 0.00 0.00 57.03 57.03 2hfd h ASP 28 Cb 0.01 -0.13 0.01 0.00 1.72 0.00 0.00 39.33 40.94 2hfd h ASP 28 CO -0.00 1.30 -0.31 -0.78 -2.88 0.00 0.00 179.24 176.57 2hfd h ASP 29 N 0.10 -0.72 0.98 2.28 3.58 -1.70 -2.43 116.42 118.51 2hfd h ASP 29 Ca -0.11 -0.01 -0.10 0.00 0.42 0.00 0.00 57.03 57.23 2hfd h ASP 29 Cb 1.87 0.19 -0.01 0.00 1.72 0.00 0.00 39.33 43.09 2hfd h ASP 29 CO 0.19 -0.45 -0.49 -0.25 -2.88 0.00 0.00 179.24 175.37 2hfd h TRP 30 N -0.96 0.00 -0.28 0.28 7.01 -0.56 -2.77 115.95 118.67 2hfd h TRP 30 Ca -0.09 0.00 -0.10 0.00 2.11 0.00 0.00 58.89 60.82 2hfd h TRP 30 Cb 0.69 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.73 2hfd h TRP 30 CO -0.01 0.49 -0.23 1.25 -2.79 0.00 0.00 178.44 177.14 2hfd h LEU 31 N 0.00 0.53 0.00 0.65 5.85 -1.38 0.22 115.31 121.17 2hfd h LEU 31 Ca -0.00 -0.18 -0.14 0.00 0.84 0.00 0.00 57.88 58.40 2hfd h LEU 31 Cb 1.11 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.97 2hfd h LEU 31 CO 0.06 0.76 -0.73 0.00 -0.34 0.00 0.00 178.44 178.19 2hfd h THR 32 N 0.47 1.07 -0.02 1.05 1.03 -1.27 -3.07 112.91 112.17 2hfd h THR 32 Ca 0.07 -2.54 0.00 0.00 -0.01 0.00 0.00 66.41 63.93 2hfd h THR 32 Cb 0.66 2.51 0.00 0.00 -1.07 0.00 0.00 68.15 70.25 2hfd h THR 32 CO 0.05 0.61 -0.08 0.00 -0.01 0.00 0.00 175.52 176.09 2hfd n GLN 33 N -3.23 1.92 -3.20 0.00 6.02 -1.06 -4.63 117.38 113.19 2hfd n GLN 33 Ca 0.00 -1.47 -0.09 0.00 -0.01 0.00 0.00 57.00 55.44 2hfd n GLN 33 Cb 0.81 -1.47 -0.04 0.00 1.02 0.00 0.00 30.24 30.56 2hfd n GLN 33 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2hfd s ALA 34 N -2.09 -1.28 0.45 -1.58 0.00 0.74 -5.05 121.76 112.96 2hfd s ALA 34 Ca 0.29 -0.58 -0.22 0.00 0.00 0.00 0.00 51.96 51.45 2hfd s ALA 34 Cb 0.20 -2.38 -0.09 0.00 0.00 0.00 0.00 23.12 20.85 2hfd s ALA 34 CO 0.36 -2.18 1.05 -1.25 0.00 0.00 0.00 175.76 173.74 2hfd s PRO 35 N 1.36 3.94 0.00 0.00 0.04 -1.16 -4.38 135.00 134.80 2hfd s PRO 35 Ca 0.20 1.45 0.00 0.00 0.04 0.00 0.00 61.00 62.69 2hfd s PRO 35 Cb -0.07 -2.29 0.00 0.00 0.04 0.00 0.00 34.50 32.18 2hfd s PRO 35 CO -0.06 -0.33 0.00 -3.47 0.04 0.00 0.00 177.00 173.19 2hfd n ASP 36 N -0.58 -0.57 0.00 6.66 2.03 -1.25 -4.60 116.55 118.23 2hfd n ASP 36 Ca 0.07 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.38 2hfd n ASP 36 Cb 0.51 0.97 0.00 0.00 -0.72 0.00 0.00 41.12 41.88 2hfd n ASP 36 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2hfd n GLY 37 N -1.10 -0.03 2.90 0.27 0.00 0.08 -1.99 105.19 105.32 2hfd n GLY 37 Ca 0.00 -1.69 -0.14 0.00 0.00 0.00 0.00 46.02 44.19 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 -2.00 0.19 -0.09 1.61 -7.23 0.24 -0.12 120.40 113.01 2hfd s VAL 38 Ca 0.00 -0.08 0.03 0.00 -1.81 0.00 0.00 61.98 60.12 2hfd s VAL 38 Cb 0.00 -0.18 0.00 0.00 0.56 0.00 0.00 36.38 36.77 2hfd s VAL 38 CO 0.00 0.06 -0.20 -0.69 -0.31 0.00 0.00 175.10 173.96 2hfd s VAL 39 N 0.06 1.78 -0.16 1.32 1.01 0.69 -0.56 120.40 124.54 2hfd s VAL 39 Ca -0.00 -0.85 -0.24 0.00 0.00 0.00 0.00 61.98 60.88 2hfd s VAL 39 Cb -0.02 -1.56 -0.02 0.00 0.00 0.00 0.00 36.38 34.77 2hfd s VAL 39 CO -0.00 0.50 0.77 -0.76 0.00 0.00 0.00 175.10 175.61 2hfd s LEU 40 N 0.49 4.19 -0.60 3.92 1.02 -0.82 0.01 118.68 126.90 2hfd s LEU 40 Ca -0.16 1.11 -0.17 0.00 0.02 0.00 0.00 54.13 54.93 2hfd s LEU 40 Cb -0.17 -3.14 0.13 0.00 0.02 0.00 0.00 46.19 43.02 2hfd s LEU 40 CO 0.06 -0.33 0.63 -0.22 0.02 0.00 0.00 176.35 176.51 2hfd s LEU 41 N 1.87 5.87 -0.44 1.79 1.98 0.35 -3.65 118.68 126.45 2hfd s LEU 41 Ca 0.36 -1.72 -0.28 0.00 -2.89 0.00 0.00 54.13 49.60 2hfd s LEU 41 Cb -0.17 -2.25 -0.01 0.00 0.66 0.00 0.00 46.19 44.42 2hfd s LEU 41 CO 0.13 -0.95 1.65 -0.44 -1.89 0.00 0.00 176.35 174.85 2hfd s SER 42 N 3.49 5.92 -0.08 3.68 0.01 -1.26 -3.28 113.70 122.18 2hfd s SER 42 Ca 0.09 0.84 -0.11 0.00 1.31 0.00 0.00 55.95 58.08 2hfd s SER 42 Cb -0.25 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.40 2hfd s SER 42 CO 0.03 -1.77 -0.21 -1.20 0.41 0.00 0.00 173.24 170.50 2hfd n SER 43 N 10.27 1.57 -3.66 2.44 7.64 -1.26 -4.49 113.62 126.14 2hfd n SER 43 Ca 0.19 0.25 -0.08 0.00 1.01 0.00 0.00 58.87 60.24 2hfd n SER 43 Cb 0.48 -0.57 -0.09 0.00 -1.01 0.00 0.00 64.21 63.02 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 -6.01 -0.30 0.39 6.43 -1.08 -1.26 -5.01 116.67 109.83 2hfd s ASP 44 Ca -0.18 1.02 0.21 0.00 -0.52 0.00 0.00 52.55 53.08 2hfd s ASP 44 Cb 0.03 1.40 0.61 0.00 -1.46 0.00 0.00 42.92 43.50 2hfd s ASP 44 CO 0.26 -0.23 1.69 -0.65 0.52 0.00 0.00 175.17 176.76 2hfd h PRO 45 N 8.16 0.00 0.00 4.34 0.11 -1.97 -3.16 132.00 139.49 2hfd h PRO 45 Ca -0.16 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.77 2hfd h PRO 45 Cb 1.11 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 2hfd h PRO 45 CO 0.12 0.30 -1.02 -0.22 -0.21 0.00 0.00 178.00 176.97 2hfd h LYS 46 N 0.00 0.00 -0.97 1.05 1.63 -2.00 -3.29 116.57 112.99 2hfd h LYS 46 Ca -0.00 0.00 0.15 0.00 -0.85 0.00 0.00 60.65 59.95 2hfd h LYS 46 Cb 0.96 0.00 -0.10 0.00 -0.60 0.00 0.00 32.23 32.50 2hfd h LYS 46 CO 0.04 0.67 0.59 -0.09 -3.45 0.00 0.00 179.45 177.21 2hfd h ARG 47 N 0.00 0.81 -4.65 1.90 9.65 -1.97 -3.39 114.38 116.73 2hfd h ARG 47 Ca -0.07 -0.05 -0.60 0.00 -1.10 0.00 0.00 59.98 58.16 2hfd h ARG 47 Cb 1.67 -0.18 -0.36 0.00 -1.39 0.00 0.00 29.97 29.70 2hfd h ARG 47 CO 0.09 0.53 -0.83 0.99 2.80 0.00 0.00 179.97 183.55 2hfd s THR 48 N -5.92 1.55 0.31 0.20 2.01 -1.24 -5.02 115.64 107.53 2hfd s THR 48 Ca -0.12 -0.62 0.08 0.00 0.31 0.00 0.00 61.69 61.34 2hfd s THR 48 Cb 0.23 -1.46 0.05 0.00 0.01 0.00 0.00 72.50 71.33 2hfd s THR 48 CO 0.80 0.46 1.73 -0.65 -0.69 0.00 0.00 174.62 176.26 2hfd h PRO 49 N 8.05 0.19 -3.12 4.92 0.11 -1.80 -3.37 132.00 136.98 2hfd h PRO 49 Ca -0.38 -0.09 -0.62 0.00 0.11 0.00 0.00 66.00 65.02 2hfd h PRO 49 Cb 1.14 -0.00 -0.42 0.00 0.11 0.00 0.00 31.00 31.82 2hfd h PRO 49 CO 0.53 0.57 -0.58 -1.83 -0.21 0.00 0.00 178.00 176.47 2hfd s GLU 50 N -4.15 2.40 -0.11 1.05 -1.05 -1.26 -4.82 118.70 110.76 2hfd s GLU 50 Ca -0.04 -3.26 0.20 0.00 -0.15 0.00 0.00 54.97 51.72 2hfd s GLU 50 Cb 0.14 -3.40 -0.29 0.00 -0.44 0.00 0.00 34.13 30.14 2hfd s GLU 50 CO 0.76 -1.27 0.27 0.28 0.95 0.00 0.00 175.26 176.25 2hfd n VAL 51 N 2.11 0.68 0.80 1.83 0.31 -1.26 -4.47 118.33 118.33 2hfd n VAL 51 Ca 0.18 -0.66 0.09 0.00 -0.01 0.00 0.00 64.34 63.94 2hfd n VAL 51 Cb 0.35 -0.23 0.44 0.00 -0.91 0.00 0.00 33.84 33.49 2hfd n VAL 51 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2hfd n SER 52 N -2.49 0.00 -0.79 4.52 2.88 -1.26 -1.67 113.62 114.81 2hfd n SER 52 Ca -0.18 0.16 0.13 0.00 -1.33 0.00 0.00 58.87 57.65 2hfd n SER 52 Cb 0.85 -0.35 0.22 0.00 -0.75 0.00 0.00 64.21 64.19 2hfd n SER 52 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2hfd n ASP 53 N -1.35 2.50 -0.04 -3.46 8.00 -1.26 -4.50 116.55 116.44 2hfd n ASP 53 Ca 0.07 -1.82 -0.08 0.00 0.71 0.00 0.00 54.79 53.67 2hfd n ASP 53 Cb 0.17 0.02 -0.07 0.00 -0.02 0.00 0.00 41.12 41.22 2hfd n ASP 53 CO 0.00 0.00 0.00 -1.13 -0.39 0.00 0.00 177.20 175.68 2hfd h ASN 54 N 3.88 -0.04 0.00 -2.24 -0.73 -1.61 -3.39 115.58 111.45 2hfd h ASN 54 Ca 0.00 -0.50 -0.05 0.00 1.87 0.00 0.00 56.30 57.62 2hfd h ASN 54 Cb 0.84 0.01 -0.02 0.00 0.27 0.00 0.00 38.32 39.42 2hfd h ASN 54 CO 0.00 0.68 0.01 -2.65 -0.37 0.00 0.00 177.43 175.10 2hfd n PRO 55 N -4.74 0.79 0.03 6.67 -0.02 -1.26 -2.96 135.00 133.51 2hfd n PRO 55 Ca -0.06 -0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.17 2hfd n PRO 55 Cb 0.26 -1.48 0.00 0.00 -0.02 0.00 0.00 33.50 32.26 2hfd n PRO 55 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2hfd n VAL 56 N 2.19 0.23 0.28 -1.45 0.31 -1.26 -4.80 118.33 113.83 2hfd n VAL 56 Ca 0.11 0.08 0.15 0.00 -0.01 0.00 0.00 64.34 64.66 2hfd n VAL 56 Cb 0.38 -1.05 0.88 0.00 -0.91 0.00 0.00 33.84 33.13 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 -0.77 5.55 -0.00 -1.79 -1.91 114.93 116.01 2hfd h MET 57 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.70 2hfd h MET 57 Cb 0.35 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 31.91 2hfd h MET 57 CO 0.00 0.00 0.46 0.82 -0.00 0.00 0.00 176.91 178.19 2hfd h ILE 58 N 0.00 1.21 -0.34 -0.10 1.08 -1.87 -2.25 117.51 115.24 2hfd h ILE 58 Ca 0.01 -0.47 -0.04 0.00 -0.39 0.00 0.00 64.86 63.97 2hfd h ILE 58 Cb 0.07 0.13 -0.02 0.00 -3.07 0.00 0.00 36.82 33.93 2hfd h ILE 58 CO -0.00 0.22 0.03 1.23 -0.69 0.00 0.00 178.15 178.94 2hfd h GLY 59 N 1.08 0.55 1.38 5.37 0.00 -1.67 -2.11 103.07 107.66 2hfd h GLY 59 Ca 0.28 -0.30 -0.23 0.00 0.00 0.00 0.00 47.33 47.08 2hfd h GLY 59 CO -0.05 0.29 -0.87 0.83 0.00 0.00 0.00 176.54 176.73 2hfd h GLU 60 N 0.49 0.58 -0.65 4.80 5.08 -1.56 -3.28 114.58 120.04 2hfd h GLU 60 Ca 0.11 -0.55 -0.06 0.00 -1.00 0.00 0.00 59.36 57.86 2hfd h GLU 60 Cb 0.28 0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 2hfd h GLU 60 CO 0.00 1.17 0.17 1.25 -1.00 0.00 0.00 179.01 180.60 2hfd h LEU 61 N 0.37 0.96 -1.73 1.33 5.85 -0.88 -2.23 115.31 118.97 2hfd h LEU 61 Ca -0.07 -0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.42 2hfd h LEU 61 Cb 1.50 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.27 2hfd h LEU 61 CO 0.16 0.92 -0.17 -0.07 -0.34 0.00 0.00 178.44 178.95 2hfd h LEU 62 N 0.98 0.00 0.00 2.25 4.07 -1.46 -2.55 115.31 118.59 2hfd h LEU 62 Ca 0.21 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.17 2hfd h LEU 62 Cb 0.33 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.07 2hfd h LEU 62 CO -0.00 0.17 0.00 0.54 -1.08 0.00 0.00 178.44 178.07 2hfd n ARG 63 N -3.79 0.03 0.05 1.13 5.12 -0.84 -2.10 116.66 116.25 2hfd n ARG 63 Ca -0.02 0.31 -0.05 0.00 -1.93 0.00 0.00 57.85 56.16 2hfd n ARG 63 Cb 0.27 -1.50 0.14 0.00 -1.16 0.00 0.00 32.46 30.22 2hfd n ARG 63 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 2hfd h GLU 64 N 0.00 0.38 -2.88 5.56 4.39 -1.59 -3.38 114.58 117.05 2hfd h GLU 64 Ca 0.00 -0.21 -0.61 0.00 0.34 0.00 0.00 59.36 58.88 2hfd h GLU 64 Cb 0.15 0.01 -0.40 0.00 -0.10 0.00 0.00 28.75 28.41 2hfd h GLU 64 CO 0.00 0.77 -0.75 -0.06 -1.16 0.00 0.00 179.01 177.81 2hfd s PHE 65 N -4.06 2.15 -2.21 4.33 0.08 -0.89 -4.93 117.98 112.44 2hfd s PHE 65 Ca -0.06 -2.61 0.19 0.00 0.12 0.00 0.00 56.93 54.58 2hfd s PHE 65 Cb 0.12 -1.87 0.74 0.00 -0.57 0.00 0.00 43.02 41.45 2hfd s PHE 65 CO 0.80 -0.74 1.53 -0.35 -0.10 0.00 0.00 175.22 176.36 2hfd n PRO 66 N 3.06 1.62 0.18 0.24 -0.05 -1.26 -3.95 135.00 134.85 2hfd n PRO 66 Ca 0.15 -0.94 0.10 0.00 -0.05 0.00 0.00 63.50 62.76 2hfd n PRO 66 Cb 0.37 -1.36 0.11 0.00 -0.05 0.00 0.00 33.50 32.58 2hfd n PRO 66 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 175.50 175.67 2hfd h ASP 67 N 1.85 0.00 -3.25 3.54 3.58 -1.94 -3.46 116.42 116.75 2hfd h ASP 67 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2hfd h ASP 67 Cb 0.41 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.46 2hfd h ASP 67 CO 0.00 0.10 0.00 0.00 -2.88 0.00 0.00 179.24 176.46 2hfd n TYR 68 N -3.05 -1.63 -3.81 0.28 4.19 -1.25 -5.11 117.16 106.78 2hfd n TYR 68 Ca 0.03 0.00 -0.30 0.00 3.31 0.00 0.00 57.90 60.94 2hfd n TYR 68 Cb 0.58 0.00 -0.15 0.00 0.49 0.00 0.00 39.34 40.25 2hfd n TYR 68 CO 0.00 0.00 0.00 0.95 0.91 0.00 0.00 176.86 178.72 2hfd s THR 69 N 0.70 1.08 -0.77 2.97 -4.23 -1.26 -5.08 115.64 109.05 2hfd s THR 69 Ca 0.00 -1.24 -0.23 0.00 -1.18 0.00 0.00 61.69 59.04 2hfd s THR 69 Cb 0.00 -1.64 0.07 0.00 1.34 0.00 0.00 72.50 72.27 2hfd s THR 69 CO 0.00 -0.41 1.12 0.26 -0.54 0.00 0.00 174.62 175.04 2hfd s TRP 70 N 1.55 2.67 -0.47 3.99 0.52 -1.26 -4.04 118.94 121.90 2hfd s TRP 70 Ca 0.03 -0.67 -0.28 0.00 0.02 0.00 0.00 56.10 55.20 2hfd s TRP 70 Cb -0.18 -4.40 0.01 0.00 -1.15 0.00 0.00 33.47 27.75 2hfd s TRP 70 CO -0.15 -1.73 1.40 -0.65 0.02 0.00 0.00 176.95 175.84 2hfd s GLN 71 N 4.20 3.48 -0.46 4.98 1.11 -0.84 -4.81 119.66 127.32 2hfd s GLN 71 Ca 0.30 0.74 -0.19 0.00 0.01 0.00 0.00 55.36 56.21 2hfd s GLN 71 Cb -0.11 -4.06 0.04 0.00 -1.01 0.00 0.00 33.01 27.87 2hfd s GLN 71 CO 0.04 -1.70 0.60 0.08 0.01 0.00 0.00 175.29 174.33 2hfd s VAL 72 N 5.63 4.89 0.04 1.09 1.01 -1.26 -0.59 120.40 131.21 2hfd s VAL 72 Ca 0.57 -0.21 0.07 0.00 0.00 0.00 0.00 61.98 62.42 2hfd s VAL 72 Cb -0.12 -4.21 -0.03 0.00 0.00 0.00 0.00 36.38 32.02 2hfd s VAL 72 CO 0.30 -0.65 -0.19 0.00 0.00 0.00 0.00 175.10 174.56 2hfd s ALA 73 N 2.62 2.56 -0.01 5.51 0.00 0.27 -3.29 121.76 129.42 2hfd s ALA 73 Ca 0.18 -1.20 0.06 0.00 0.00 0.00 0.00 51.96 51.00 2hfd s ALA 73 Cb -0.17 -0.71 -0.02 0.00 0.00 0.00 0.00 23.12 22.23 2hfd s ALA 73 CO 0.15 0.57 -0.20 0.96 0.00 0.00 0.00 175.76 177.24 2hfd s ILE 74 N -0.91 1.59 -0.02 0.00 -4.36 -0.47 -1.94 121.20 115.09 2hfd s ILE 74 Ca 0.14 -0.89 0.02 0.00 -0.26 0.00 0.00 60.65 59.67 2hfd s ILE 74 Cb -0.10 -1.33 -0.03 0.00 1.25 0.00 0.00 42.46 42.24 2hfd s ILE 74 CO 0.05 0.42 -0.06 0.00 0.24 0.00 0.00 174.94 175.59 2hfd s ALA 75 N -0.50 3.04 0.86 2.27 0.00 -1.24 0.01 121.76 126.19 2hfd s ALA 75 Ca 0.08 -0.98 -0.11 0.00 0.00 0.00 0.00 51.96 50.96 2hfd s ALA 75 Cb -0.08 -1.18 0.11 0.00 0.00 0.00 0.00 23.12 21.97 2hfd s ALA 75 CO -0.01 0.61 1.11 0.34 0.00 0.00 0.00 175.76 177.81 2hfd s ASP 76 N -1.26 3.63 0.24 0.00 -1.08 -1.26 -4.59 116.67 112.33 2hfd s ASP 76 Ca 0.16 1.92 -0.05 0.00 -0.52 0.00 0.00 52.55 54.05 2hfd s ASP 76 Cb -0.11 -2.49 0.38 0.00 -1.46 0.00 0.00 42.92 39.24 2hfd s ASP 76 CO 0.06 -2.61 1.79 0.25 0.52 0.00 0.00 175.17 175.18 2hfd h LEU 77 N -1.53 0.54 -0.53 -1.34 5.85 -2.00 0.22 115.31 116.52 2hfd h LEU 77 Ca -0.45 0.06 -0.16 0.00 0.84 0.00 0.00 57.88 58.17 2hfd h LEU 77 Cb 1.26 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.24 2hfd h LEU 77 CO 0.48 0.30 -0.67 -0.33 -0.34 0.00 0.00 178.44 177.87 2hfd h GLU 78 N 0.66 0.28 0.03 1.25 5.08 -1.93 -3.13 114.58 116.83 2hfd h GLU 78 Ca 0.38 -0.22 -0.21 0.00 -1.00 0.00 0.00 59.36 58.31 2hfd h GLU 78 Cb 0.40 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 2hfd h GLU 78 CO -0.27 0.85 -0.97 1.96 -1.00 0.00 0.00 179.01 179.58 2hfd h GLN 79 N 0.20 0.13 0.00 2.33 4.20 -1.53 -3.23 115.11 117.22 2hfd h GLN 79 Ca -0.02 -0.18 -0.14 0.00 0.06 0.00 0.00 58.65 58.38 2hfd h GLN 79 Cb 1.22 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 29.03 2hfd h GLN 79 CO 0.11 1.00 -0.66 0.66 -0.67 0.00 0.00 178.83 179.27 2hfd h SER 80 N 0.06 0.00 -0.06 1.46 4.64 -0.66 -2.62 113.55 116.36 2hfd h SER 80 Ca -0.05 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.31 2hfd h SER 80 Cb 1.66 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.70 2hfd h SER 80 CO 0.14 0.66 -0.21 -0.33 -0.87 0.00 0.00 176.83 176.22 2hfd h GLU 81 N 0.00 -0.29 -0.24 4.77 5.08 -1.56 0.81 114.58 123.15 2hfd h GLU 81 Ca -0.01 0.02 -0.16 0.00 -1.00 0.00 0.00 59.36 58.22 2hfd h GLU 81 Cb 1.23 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.54 2hfd h GLU 81 CO 0.09 -0.19 -0.49 0.00 -1.00 0.00 0.00 179.01 177.41 2hfd h ALA 82 N 0.63 0.69 -0.19 3.43 0.00 -1.62 0.11 119.26 122.30 2hfd h ALA 82 Ca 0.08 -0.49 -0.07 0.00 0.00 0.00 0.00 54.91 54.43 2hfd h ALA 82 Cb 0.42 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 2hfd h ALA 82 CO -0.24 0.68 -0.17 0.82 0.00 0.00 0.00 179.25 180.34 2hfd h ILE 83 N 0.52 1.33 -0.11 0.00 2.04 -1.31 0.15 117.51 120.13 2hfd h ILE 83 Ca 0.02 -1.31 -0.01 0.00 1.00 0.00 0.00 64.86 64.57 2hfd h ILE 83 Cb 1.04 1.76 -0.00 0.00 -0.74 0.00 0.00 36.82 38.87 2hfd h ILE 83 CO 0.10 0.39 0.02 1.23 0.00 0.00 0.00 178.15 179.89 2hfd h GLY 84 N 0.11 0.19 0.59 5.37 0.00 -0.78 -3.05 103.07 105.51 2hfd h GLY 84 Ca 0.03 -0.12 0.08 0.00 0.00 0.00 0.00 47.33 47.32 2hfd h GLY 84 CO 0.04 0.11 0.46 -1.80 0.00 0.00 0.00 176.54 175.35 2hfd h ASP 85 N -0.04 0.67 -0.90 0.19 3.58 -0.76 0.31 116.42 119.46 2hfd h ASP 85 Ca 0.03 0.04 0.07 0.00 0.42 0.00 0.00 57.03 57.59 2hfd h ASP 85 Cb 0.27 -0.09 -0.06 0.00 1.72 0.00 0.00 39.33 41.17 2hfd h ASP 85 CO 0.00 0.40 0.58 -0.09 -2.88 0.00 0.00 179.24 177.26 2hfd h ARG 86 N 0.80 0.97 0.04 0.28 2.43 -0.86 -3.02 114.38 115.01 2hfd h ARG 86 Ca 0.37 -0.06 -0.37 0.00 -0.81 0.00 0.00 59.98 59.12 2hfd h ARG 86 Cb 0.29 -0.22 -0.05 0.00 -0.42 0.00 0.00 29.97 29.57 2hfd h ARG 86 CO -0.22 0.64 -2.22 0.34 -1.51 0.00 0.00 179.97 177.00 2hfd n PHE 87 N -4.50 0.50 0.00 2.20 7.35 -0.91 -4.99 117.46 117.11 2hfd n PHE 87 Ca 0.14 0.13 0.00 0.00 -0.76 0.00 0.00 57.45 56.96 2hfd n PHE 87 Cb 0.22 -1.07 0.00 0.00 0.35 0.00 0.00 39.48 38.98 2hfd n PHE 87 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2hfd n GLY 88 N 2.00 1.30 0.15 7.13 0.00 0.94 -5.00 105.19 111.71 2hfd n GLY 88 Ca -0.36 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.70 2hfd n GLY 88 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2hfd h VAL 89 N 0.00 0.75 -1.67 1.61 2.07 -1.45 -3.45 116.25 114.13 2hfd h VAL 89 Ca 0.00 -2.04 -0.54 0.00 0.82 0.00 0.00 66.70 64.94 2hfd h VAL 89 Cb 0.00 2.35 -0.00 0.00 -1.52 0.00 0.00 31.29 32.12 2hfd h VAL 89 CO 0.00 0.43 1.56 0.33 0.02 0.00 0.00 177.57 179.90 2hfd n PHE 90 N -3.22 1.66 0.00 1.57 7.35 -1.07 -3.54 117.46 120.22 2hfd n PHE 90 Ca 0.02 0.03 0.00 0.00 -0.76 0.00 0.00 57.45 56.74 2hfd n PHE 90 Cb 0.70 -2.66 0.00 0.00 0.35 0.00 0.00 39.48 37.87 2hfd n PHE 90 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 2hfd n ARG 91 N 8.80 0.00 -3.81 -4.13 0.63 -1.26 -4.89 116.66 112.01 2hfd n ARG 91 Ca 0.35 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 57.16 2hfd n ARG 91 Cb 0.45 0.00 -0.11 0.00 0.45 0.00 0.00 32.46 33.25 2hfd n ARG 91 CO 0.00 0.00 0.00 -0.59 -2.51 0.00 0.00 177.63 174.53 2hfd s PHE 92 N 0.00 -0.17 -0.10 -0.14 -0.71 -1.23 -5.03 117.98 110.60 2hfd s PHE 92 Ca 0.00 0.38 -0.30 0.00 -1.04 0.00 0.00 56.93 55.97 2hfd s PHE 92 Cb 0.00 0.05 -0.02 0.00 -1.21 0.00 0.00 43.02 41.85 2hfd s PHE 92 CO 0.00 -0.19 1.09 -2.14 -1.34 0.00 0.00 175.22 172.64 2hfd s PRO 93 N -0.42 4.37 0.33 1.99 0.02 -1.26 -4.81 135.00 135.22 2hfd s PRO 93 Ca -0.05 1.50 -0.16 0.00 0.02 0.00 0.00 61.00 62.31 2hfd s PRO 93 Cb -0.03 -3.57 0.03 0.00 0.02 0.00 0.00 34.50 30.95 2hfd s PRO 93 CO 0.01 -0.41 0.71 0.00 -0.33 0.00 0.00 177.00 176.98 2hfd s ALA 94 N 2.28 -0.74 -0.28 -1.55 0.00 -1.21 -4.60 121.76 115.66 2hfd s ALA 94 Ca 0.51 -0.67 -0.10 0.00 0.00 0.00 0.00 51.96 51.70 2hfd s ALA 94 Cb -0.20 0.82 -0.04 0.00 0.00 0.00 0.00 23.12 23.69 2hfd s ALA 94 CO 0.18 -0.98 0.16 0.99 0.00 0.00 0.00 175.76 176.11 2hfd s THR 95 N -3.11 5.02 -0.24 0.00 2.01 0.57 -0.49 115.64 119.39 2hfd s THR 95 Ca 0.16 0.03 -0.16 0.00 0.31 0.00 0.00 61.69 62.03 2hfd s THR 95 Cb -0.05 -3.40 -0.03 0.00 0.01 0.00 0.00 72.50 69.03 2hfd s THR 95 CO 0.10 0.25 0.43 -0.76 -0.69 0.00 0.00 174.62 173.95 2hfd s LEU 96 N 1.71 4.08 -0.13 4.42 1.43 0.10 0.08 118.68 130.38 2hfd s LEU 96 Ca 0.07 0.44 -0.14 0.00 -1.03 0.00 0.00 54.13 53.47 2hfd s LEU 96 Cb -0.16 -2.53 -0.05 0.00 0.03 0.00 0.00 46.19 43.48 2hfd s LEU 96 CO 0.09 -0.18 0.31 0.54 0.23 0.00 0.00 176.35 177.34 2hfd s VAL 97 N 1.88 5.27 -0.03 -1.59 0.11 -0.35 -0.23 120.40 125.47 2hfd s VAL 97 Ca 0.18 0.60 0.07 0.00 -2.93 0.00 0.00 61.98 59.90 2hfd s VAL 97 Cb -0.15 -3.64 -0.01 0.00 -1.53 0.00 0.00 36.38 31.04 2hfd s VAL 97 CO 0.09 0.44 -0.24 -0.36 -3.33 0.00 0.00 175.10 171.70 2hfd s PHE 98 N 0.09 2.19 0.01 1.54 0.08 0.83 -0.78 117.98 121.93 2hfd s PHE 98 Ca 0.18 -0.50 -0.06 0.00 0.12 0.00 0.00 56.93 56.67 2hfd s PHE 98 Cb -0.14 -1.42 -0.00 0.00 -0.57 0.00 0.00 43.02 40.89 2hfd s PHE 98 CO 0.06 -0.10 0.10 0.99 -0.10 0.00 0.00 175.22 176.18 2hfd s THR 99 N -0.40 0.09 -1.57 0.64 2.01 -0.03 -0.74 115.64 115.63 2hfd s THR 99 Ca 0.05 -0.73 0.00 0.00 0.31 0.00 0.00 61.69 61.31 2hfd s THR 99 Cb -0.11 -0.40 0.00 0.00 0.01 0.00 0.00 72.50 72.00 2hfd s THR 99 CO 0.01 -0.40 0.00 0.61 -0.69 0.00 0.00 174.62 174.14 2hfd n GLY 100 N 1.48 -0.10 2.29 4.40 0.00 -1.26 -1.09 105.19 110.91 2hfd n GLY 100 Ca -0.23 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.82 0.57 3.39 -0.02 0.00 -1.26 -4.98 105.19 102.07 2hfd n GLY 101 Ca -0.20 -0.29 -0.22 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.37 2.16 -0.01 1.61 0.01 -0.25 -4.83 114.94 111.26 2hfd s ASN 102 Ca 0.00 -1.71 -0.30 0.00 -0.71 0.00 0.00 52.86 50.14 2hfd s ASN 102 Cb 0.00 0.54 -0.03 0.00 0.41 0.00 0.00 41.25 42.17 2hfd s ASN 102 CO 0.00 -1.00 1.00 -0.47 -1.51 0.00 0.00 177.10 175.12 2hfd s TYR 103 N -3.36 3.62 -0.20 2.20 5.04 -1.26 -0.85 117.35 122.54 2hfd s TYR 103 Ca 0.32 1.65 -0.11 0.00 -2.44 0.00 0.00 57.07 56.49 2hfd s TYR 103 Cb 0.02 -3.15 -0.08 0.00 0.35 0.00 0.00 41.96 39.10 2hfd s TYR 103 CO 0.21 -0.14 -0.27 -2.13 -1.34 0.00 0.00 175.55 171.88 2hfd n ARG 104 N 4.06 0.44 -2.02 4.97 3.00 0.04 -4.80 116.66 122.35 2hfd n ARG 104 Ca 0.07 0.19 0.00 0.00 -0.00 0.00 0.00 57.85 58.11 2hfd n ARG 104 Cb 0.50 -1.25 0.00 0.00 0.00 0.00 0.00 32.46 31.72 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 1.72 0.61 2.91 5.14 0.00 -0.97 -4.78 105.19 109.81 2hfd n GLY 105 Ca -0.36 -0.85 -0.17 0.00 0.00 0.00 0.00 46.02 44.63 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 -2.15 0.40 -0.30 1.61 0.11 -1.26 -1.21 120.40 117.60 2hfd s VAL 106 Ca 0.02 -0.12 -0.02 0.00 -2.93 0.00 0.00 61.98 58.93 2hfd s VAL 106 Cb -0.00 -0.40 0.05 0.00 -1.53 0.00 0.00 36.38 34.50 2hfd s VAL 106 CO -0.00 0.16 0.01 -0.76 -3.33 0.00 0.00 175.10 171.17 2hfd s LEU 107 N 0.44 3.89 -0.09 2.54 1.43 0.11 -4.97 118.68 122.03 2hfd s LEU 107 Ca -0.05 -1.22 0.04 0.00 -1.03 0.00 0.00 54.13 51.86 2hfd s LEU 107 Cb -0.08 -1.73 0.00 0.00 0.03 0.00 0.00 46.19 44.41 2hfd s LEU 107 CO -0.00 -0.26 -0.22 0.54 0.23 0.00 0.00 176.35 176.64 2hfd s ASN 108 N 1.28 2.86 0.00 2.29 4.22 -1.26 -0.32 114.94 124.01 2hfd s ASN 108 Ca -0.04 -0.51 0.00 0.00 -2.14 0.00 0.00 52.86 50.16 2hfd s ASN 108 Cb -0.19 -1.31 0.00 0.00 1.28 0.00 0.00 41.25 41.03 2hfd s ASN 108 CO -0.01 0.14 0.00 0.61 -2.04 0.00 0.00 177.10 175.80 2hfd n GLY 109 N 3.58 -2.29 3.74 0.45 0.00 -1.26 -4.89 105.19 104.52 2hfd n GLY 109 Ca -0.20 -1.40 -0.41 0.00 0.00 0.00 0.00 46.02 44.01 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 -3.49 2.83 0.01 -0.61 -1.09 -1.26 -5.03 121.20 112.56 2hfd s ILE 110 Ca 0.00 0.69 0.00 0.00 -2.23 0.00 0.00 60.65 59.12 2hfd s ILE 110 Cb 0.00 -3.44 -0.01 0.00 -1.58 0.00 0.00 42.46 37.43 2hfd s ILE 110 CO 0.00 0.11 -0.03 -1.00 -1.23 0.00 0.00 174.94 172.79 2hfd s HIS 111 N 0.00 0.23 0.91 3.97 3.76 -1.26 -5.13 115.29 117.78 2hfd s HIS 111 Ca 0.58 -0.25 -0.10 0.00 -0.15 0.00 0.00 55.06 55.13 2hfd s HIS 111 Cb -0.40 -0.15 0.14 0.00 1.11 0.00 0.00 32.58 33.28 2hfd s HIS 111 CO 0.42 -0.08 1.13 -2.30 -0.85 0.00 0.00 174.74 173.06 2hfd n PRO 112 N 2.36 -0.42 -0.08 8.40 -0.02 -1.26 -4.59 135.00 139.39 2hfd n PRO 112 Ca -0.18 -0.05 -0.07 0.00 -2.02 0.00 0.00 63.50 61.18 2hfd n PRO 112 Cb 0.57 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 2hfd n PRO 112 CO 0.00 0.00 0.00 2.35 1.98 0.00 0.00 175.50 179.83 2hfd h TRP 113 N -1.82 0.05 -0.09 6.00 -0.00 -2.01 0.38 115.95 118.45 2hfd h TRP 113 Ca -0.43 0.02 -0.00 0.00 -0.00 0.00 0.00 58.89 58.48 2hfd h TRP 113 Cb 1.27 0.03 -0.00 0.00 -0.00 0.00 0.00 29.16 30.45 2hfd h TRP 113 CO 0.49 -0.01 0.05 0.00 -0.00 0.00 0.00 178.44 178.97 2hfd h ALA 114 N 1.24 0.12 -0.93 2.65 0.00 -1.99 -0.29 119.26 120.05 2hfd h ALA 114 Ca 0.14 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.03 2hfd h ALA 114 Cb 0.17 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 2hfd h ALA 114 CO -0.21 -0.35 0.61 1.49 0.00 0.00 0.00 179.25 180.79 2hfd h GLU 115 N 0.06 1.19 -0.17 0.00 4.57 -1.81 -0.10 114.58 118.31 2hfd h GLU 115 Ca 0.03 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.14 2hfd h GLU 115 Cb 0.07 -0.27 -0.01 0.00 -0.16 0.00 0.00 28.75 28.38 2hfd h GLU 115 CO -0.01 0.79 0.09 1.25 -1.18 0.00 0.00 179.01 179.95 2hfd h LEU 116 N 1.22 0.23 -0.35 1.64 5.85 0.26 0.54 115.31 124.70 2hfd h LEU 116 Ca 0.36 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.96 2hfd h LEU 116 Cb -0.07 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 2hfd h LEU 116 CO -0.10 0.28 0.21 0.40 -0.34 0.00 0.00 178.44 178.89 2hfd h ILE 117 N 0.16 1.11 0.09 4.05 2.04 -0.83 -0.67 117.51 123.46 2hfd h ILE 117 Ca 0.06 -0.24 0.02 0.00 1.00 0.00 0.00 64.86 65.70 2hfd h ILE 117 Cb 0.11 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 36.80 2hfd h ILE 117 CO -0.01 0.11 -0.26 -1.13 0.00 0.00 0.00 178.15 176.86 2hfd h ASN 118 N 0.45 -0.74 -0.23 1.72 -1.24 -0.66 0.22 115.58 115.10 2hfd h ASN 118 Ca 0.12 0.09 -0.01 0.00 0.71 0.00 0.00 56.30 57.22 2hfd h ASN 118 Cb -0.01 0.29 -0.01 0.00 0.73 0.00 0.00 38.32 39.31 2hfd h ASN 118 CO -0.02 -0.34 0.12 -0.07 -1.29 0.00 0.00 177.43 175.82 2hfd h LEU 119 N -0.45 0.30 -0.70 0.34 3.38 -0.85 -1.35 115.31 115.97 2hfd h LEU 119 Ca 0.04 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 57.92 2hfd h LEU 119 Cb 0.49 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 2hfd h LEU 119 CO -0.17 0.31 0.46 -0.03 0.09 0.00 0.00 178.44 179.10 2hfd h MET 120 N 0.26 0.89 -0.21 1.13 4.05 -0.77 -1.13 114.93 119.15 2hfd h MET 120 Ca 0.08 -0.05 -0.09 0.00 -0.28 0.00 0.00 59.70 59.36 2hfd h MET 120 Cb 0.09 -0.20 -0.01 0.00 -0.80 0.00 0.00 31.60 30.67 2hfd h MET 120 CO -0.01 0.59 -0.25 -0.09 0.23 0.00 0.00 176.91 177.38 2hfd h ARG 121 N 0.92 0.40 -0.04 0.39 2.43 -0.41 0.30 114.38 118.37 2hfd h ARG 121 Ca 0.26 -0.14 -0.10 0.00 -0.81 0.00 0.00 59.98 59.19 2hfd h ARG 121 Cb -0.08 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 2hfd h ARG 121 CO -0.07 0.62 -0.46 0.78 -1.51 0.00 0.00 179.97 179.33 2hfd h GLY 122 N 1.00 0.10 0.00 2.80 0.00 -0.46 -1.65 103.07 104.86 2hfd h GLY 122 Ca 0.05 -0.10 -0.09 0.00 0.00 0.00 0.00 47.33 47.20 2hfd h GLY 122 CO 0.04 0.09 -0.53 1.41 0.00 0.00 0.00 176.54 177.56 2hfd h LEU 123 N 0.08 0.00 -1.26 3.11 3.38 -0.63 -3.37 115.31 116.63 2hfd h LEU 123 Ca 0.00 -0.61 -0.07 0.00 0.09 0.00 0.00 57.88 57.29 2hfd h LEU 123 Cb 0.84 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 2hfd h LEU 123 CO 0.06 1.11 -0.27 1.62 0.09 0.00 0.00 178.44 181.05 2hfd h VAL 124 N -1.00 1.23 -4.90 1.22 3.04 -0.51 -3.43 116.25 111.90 2hfd h VAL 124 Ca -0.13 -1.10 0.01 0.00 -1.01 0.00 0.00 66.70 64.47 2hfd h VAL 124 Cb 0.96 1.47 -0.12 0.00 -2.01 0.00 0.00 31.29 31.59 2hfd h VAL 124 CO -0.08 0.33 -1.53 1.21 -1.01 0.00 0.00 177.57 176.49 2hfd n GLU 125 N -4.16 -4.57 -2.43 4.17 2.13 -0.62 -5.05 120.64 110.10 2hfd n GLU 125 Ca -0.01 3.44 -0.24 0.00 0.66 0.00 0.00 57.16 61.01 2hfd n GLU 125 Cb 0.36 -4.95 0.07 0.00 0.27 0.00 0.00 31.44 27.19 2hfd n GLU 125 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 2hfd s PRO 126 N -0.68 2.12 0.00 5.31 0.04 -1.26 -4.97 135.00 135.55 2hfd s PRO 126 Ca -0.26 -0.64 0.25 0.00 0.04 0.00 0.00 61.00 60.39 2hfd s PRO 126 Cb 0.02 -2.30 1.22 0.00 0.04 0.00 0.00 34.50 33.48 2hfd s PRO 126 CO 0.71 -1.17 1.85 1.04 0.04 0.00 0.00 177.00 179.47 2hfd n GLN 127 N -2.74 0.24 -3.78 4.56 6.02 -1.26 -4.06 117.38 116.35 2hfd n GLN 127 Ca 0.10 0.05 -0.30 0.00 -0.01 0.00 0.00 57.00 56.85 2hfd n GLN 127 Cb 0.60 -1.50 -0.13 0.00 1.02 0.00 0.00 30.24 30.23 2hfd n GLN 127 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 2hfd s GLN 128 N -2.72 1.52 0.18 -1.09 -2.07 -1.26 -5.11 119.66 109.12 2hfd s GLN 128 Ca 0.20 -2.24 -0.04 0.00 -1.82 0.00 0.00 55.36 51.46 2hfd s GLN 128 Cb 0.17 -2.64 -0.05 0.00 -1.09 0.00 0.00 33.01 29.39 2hfd s GLN 128 CO 0.41 -1.16 0.42 -1.83 -1.32 0.00 0.00 175.29 171.82 2hfd s GLU 129 N 0.09 3.62 -0.20 9.60 1.03 -1.26 -5.08 118.70 126.49 2hfd s GLU 129 Ca 0.18 -0.09 -0.02 0.00 0.03 0.00 0.00 54.97 55.08 2hfd s GLU 129 Cb -0.23 -2.80 0.06 0.00 -0.80 0.00 0.00 34.13 30.36 2hfd s GLU 129 CO -0.01 0.40 0.01 1.03 -1.33 0.00 0.00 175.26 175.36 2hfd s ARG 130 N -2.92 0.93 -0.83 -4.83 1.81 -1.26 -5.09 118.95 106.76 2hfd s ARG 130 Ca 0.42 -0.58 -0.14 0.00 -1.72 0.00 0.00 55.73 53.71 2hfd s ARG 130 Cb -0.12 -2.24 0.22 0.00 -0.45 0.00 0.00 34.95 32.37 2hfd s ARG 130 CO 0.26 -0.62 0.77 0.00 -0.68 0.00 0.00 175.30 175.02 2hfd s ALA 131 N 1.73 4.10 0.00 2.13 0.00 -1.26 -4.94 121.76 123.52 2hfd s ALA 131 Ca -0.02 -3.34 0.00 0.00 0.00 0.00 0.00 51.96 48.59 2hfd s ALA 131 Cb -0.18 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.44 2hfd s ALA 131 CO -0.07 -2.27 0.00 0.43 0.00 0.00 0.00 175.76 173.84