#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hfd h SER 2 N 0.00 0.18 -3.53 3.17 0.02 -2.06 -3.46 113.55 107.87 2hfd h SER 2 Ca 0.00 -0.80 -0.67 0.00 -0.84 0.00 0.00 61.79 59.48 2hfd h SER 2 Cb 0.00 -0.06 -0.19 0.00 0.14 0.00 0.00 62.40 62.29 2hfd h SER 2 CO 0.00 1.41 -0.68 0.20 -1.14 0.00 0.00 176.83 176.62 2hfd s ASN 3 N -6.78 4.76 -0.63 3.07 -0.87 -1.26 -5.05 114.94 108.18 2hfd s ASN 3 Ca -0.22 -0.02 -0.27 0.00 -1.57 0.00 0.00 52.86 50.78 2hfd s ASN 3 Cb 0.03 -1.35 -0.00 0.00 -0.02 0.00 0.00 41.25 39.90 2hfd s ASN 3 CO 0.70 0.32 1.65 -1.81 -2.57 0.00 0.00 177.10 175.40 2hfd s ASP 4 N -0.56 5.63 0.46 -1.22 1.01 -1.26 -4.31 116.67 116.42 2hfd s ASP 4 Ca 0.09 0.15 0.00 0.00 0.71 0.00 0.00 52.55 53.50 2hfd s ASP 4 Cb -0.12 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.27 2hfd s ASP 4 CO 0.02 -2.14 0.00 0.41 0.21 0.00 0.00 175.17 173.67 2hfd n THR 5 N 6.95 0.00 -0.08 -1.27 -1.04 -1.26 -4.80 114.28 112.79 2hfd n THR 5 Ca 0.15 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 62.05 2hfd n THR 5 Cb 0.51 -0.03 -0.04 0.00 -1.82 0.00 0.00 70.33 68.95 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 0.41 -0.50 -2.82 0.13 -1.99 -0.83 132.00 126.39 2hfd h PRO 6 Ca 0.00 -0.12 -0.08 0.00 -0.87 0.00 0.00 66.00 64.93 2hfd h PRO 6 Cb 0.00 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 31.07 2hfd h PRO 6 CO 0.00 0.56 -0.01 0.35 -0.23 0.00 0.00 178.00 178.67 2hfd h PHE 7 N 0.20 0.98 0.25 1.56 3.57 -1.92 0.19 116.94 121.77 2hfd h PHE 7 Ca 0.07 -0.18 -0.00 0.00 3.53 0.00 0.00 57.97 61.39 2hfd h PHE 7 Cb 0.36 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 2hfd h PHE 7 CO 0.03 0.92 -0.19 0.22 -2.23 0.00 0.00 178.31 177.06 2hfd h ASP 8 N 0.76 -0.50 -0.68 0.41 3.58 -1.86 0.13 116.42 118.26 2hfd h ASP 8 Ca 0.14 0.04 -0.00 0.00 0.42 0.00 0.00 57.03 57.63 2hfd h ASP 8 Cb 0.54 0.16 -0.03 0.00 1.72 0.00 0.00 39.33 41.72 2hfd h ASP 8 CO 0.03 -0.30 0.42 0.00 -2.88 0.00 0.00 179.24 176.51 2hfd h ALA 9 N 0.26 0.87 -0.03 -0.78 0.00 -1.05 -0.33 119.26 118.21 2hfd h ALA 9 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2hfd h ALA 9 Cb 0.40 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 2hfd h ALA 9 CO -0.01 0.34 0.02 -0.07 0.00 0.00 0.00 179.25 179.53 2hfd h LEU 10 N 0.93 0.03 -0.82 0.00 -0.00 -0.35 -1.97 115.31 113.13 2hfd h LEU 10 Ca 0.25 -0.02 -0.09 0.00 -0.00 0.00 0.00 57.88 58.01 2hfd h LEU 10 Cb -0.04 -0.01 -0.02 0.00 -0.00 0.00 0.00 40.66 40.60 2hfd h LEU 10 CO -0.05 0.05 -0.09 -0.25 -0.00 0.00 0.00 178.44 178.10 2hfd h TRP 11 N 0.02 0.86 -0.73 1.13 7.01 -0.51 -0.71 115.95 123.02 2hfd h TRP 11 Ca 0.01 -0.15 0.01 0.00 2.11 0.00 0.00 58.89 60.87 2hfd h TRP 11 Cb 0.02 -0.22 -0.04 0.00 -2.10 0.00 0.00 29.16 26.82 2hfd h TRP 11 CO -0.07 0.84 0.48 1.96 -2.79 0.00 0.00 178.44 178.87 2hfd h GLN 12 N 0.72 0.94 0.10 2.65 1.08 -0.88 0.28 115.11 120.00 2hfd h GLN 12 Ca 0.12 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.26 2hfd h GLN 12 Cb 0.57 -0.21 0.00 0.00 -0.05 0.00 0.00 27.48 27.79 2hfd h GLN 12 CO 0.04 0.62 -0.05 0.00 -0.95 0.00 0.00 178.83 178.49 2hfd h ARG 13 N 0.97 -0.14 -0.95 1.46 3.08 -0.68 -1.94 114.38 116.18 2hfd h ARG 13 Ca 0.27 0.01 0.11 0.00 0.07 0.00 0.00 59.98 60.44 2hfd h ARG 13 Cb -0.09 0.03 -0.08 0.00 0.08 0.00 0.00 29.97 29.91 2hfd h ARG 13 CO -0.06 0.30 0.59 0.52 -1.07 0.00 0.00 179.97 180.25 2hfd h MET 14 N -0.64 0.93 -0.05 0.04 2.86 -0.85 -1.15 114.93 116.08 2hfd h MET 14 Ca -0.01 -0.06 -0.09 0.00 -2.06 0.00 0.00 59.70 57.48 2hfd h MET 14 Cb 0.50 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 2hfd h MET 14 CO 0.02 0.62 -0.41 -0.07 1.06 0.00 0.00 176.91 178.14 2hfd h LEU 15 N 0.96 0.10 -1.85 1.22 -0.00 -0.44 -2.70 115.31 112.61 2hfd h LEU 15 Ca 0.46 -0.04 -0.03 0.00 -0.00 0.00 0.00 57.88 58.27 2hfd h LEU 15 Cb 0.41 -0.03 -0.00 0.00 -0.00 0.00 0.00 40.66 41.04 2hfd h LEU 15 CO -0.25 0.50 -0.14 0.00 -0.00 0.00 0.00 178.44 178.56 2hfd h ALA 16 N 1.50 1.43 -0.01 1.53 0.00 -0.39 -0.36 119.26 122.98 2hfd h ALA 16 Ca 0.01 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2hfd h ALA 16 Cb 0.76 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2hfd h ALA 16 CO 0.06 0.17 -0.03 0.54 0.00 0.00 0.00 179.25 179.99 2hfd n ARG 17 N -3.88 1.21 -0.80 0.00 5.12 -1.03 -4.90 116.66 112.37 2hfd n ARG 17 Ca -0.02 -0.46 0.00 0.00 -1.93 0.00 0.00 57.85 55.44 2hfd n ARG 17 Cb 0.23 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 30.04 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 1.14 0.72 3.65 -0.13 0.00 -0.14 -5.03 105.19 105.39 2hfd n GLY 18 Ca 0.20 -0.65 -0.43 0.00 0.00 0.00 0.00 46.02 45.14 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 3.29 -0.19 1.61 0.51 -1.17 -4.98 118.94 116.01 2hfd s TRP 19 Ca 0.00 1.30 -0.29 0.00 -2.12 0.00 0.00 56.10 54.98 2hfd s TRP 19 Cb 0.00 -3.30 -0.00 0.00 -0.81 0.00 0.00 33.47 29.36 2hfd s TRP 19 CO 0.00 -0.53 1.09 0.99 -0.51 0.00 0.00 176.95 177.99 2hfd s THR 20 N 3.20 4.59 -0.07 2.01 2.01 -1.13 -4.51 115.64 121.74 2hfd s THR 20 Ca 0.41 1.91 -0.27 0.00 0.31 0.00 0.00 61.69 64.06 2hfd s THR 20 Cb -0.14 -4.23 -0.03 0.00 0.01 0.00 0.00 72.50 68.11 2hfd s THR 20 CO 0.09 -0.13 0.87 -2.16 -0.69 0.00 0.00 174.62 172.60 2hfd s PRO 21 N 3.01 4.45 -0.15 4.92 0.04 -1.26 -0.70 135.00 145.32 2hfd s PRO 21 Ca 0.47 1.18 -0.13 0.00 0.04 0.00 0.00 61.00 62.57 2hfd s PRO 21 Cb -0.17 -3.49 0.04 0.00 0.04 0.00 0.00 34.50 30.91 2hfd s PRO 21 CO 0.10 -0.12 0.39 0.54 0.04 0.00 0.00 177.00 177.95 2hfd s VAL 22 N 1.36 -0.01 -0.13 -0.36 0.11 0.42 -4.94 120.40 116.85 2hfd s VAL 22 Ca 0.44 0.02 -0.15 0.00 -2.93 0.00 0.00 61.98 59.36 2hfd s VAL 22 Cb -0.19 -0.56 -0.05 0.00 -1.53 0.00 0.00 36.38 34.06 2hfd s VAL 22 CO 0.20 0.01 0.37 -0.44 -3.33 0.00 0.00 175.10 171.91 2hfd s SER 23 N 0.47 6.55 0.00 3.54 0.01 -1.26 -4.07 113.70 118.94 2hfd s SER 23 Ca -0.02 0.65 0.00 0.00 1.31 0.00 0.00 55.95 57.89 2hfd s SER 23 Cb -0.04 -2.22 0.00 0.00 0.21 0.00 0.00 66.02 63.97 2hfd s SER 23 CO -0.02 0.08 0.00 1.21 0.41 0.00 0.00 173.24 174.92 2hfd n GLU 24 N 3.46 0.00 0.00 12.44 0.00 -1.26 -0.50 120.64 134.77 2hfd n GLU 24 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.06 2hfd n GLU 24 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.96 2hfd n GLU 24 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 2hfd n SER 25 N 0.00 0.00 -0.00 4.31 2.88 -1.26 0.13 113.62 119.67 2hfd n SER 25 Ca 0.00 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.61 2hfd n SER 25 Cb 0.00 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.36 2hfd n SER 25 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 2hfd n ARG 26 N 0.00 1.30 -0.17 -1.46 3.00 0.34 -4.36 116.66 115.31 2hfd n ARG 26 Ca 0.00 -0.07 0.04 0.00 -0.00 0.00 0.00 57.85 57.82 2hfd n ARG 26 Cb 0.00 -1.26 0.33 0.00 0.00 0.00 0.00 32.46 31.53 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 0.70 -0.51 6.15 7.12 0.12 0.14 115.31 129.04 2hfd h LEU 27 Ca 0.00 -0.01 -0.08 0.00 0.13 0.00 0.00 57.88 57.93 2hfd h LEU 27 Cb 0.51 -0.16 -0.02 0.00 -0.53 0.00 0.00 40.66 40.46 2hfd h LEU 27 CO 0.00 0.48 0.01 -0.78 -0.13 0.00 0.00 178.44 178.01 2hfd h ASP 28 N 0.81 0.87 -0.14 1.25 3.58 -1.61 0.19 116.42 121.37 2hfd h ASP 28 Ca 0.28 -0.30 0.02 0.00 0.42 0.00 0.00 57.03 57.45 2hfd h ASP 28 Cb 0.11 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 40.91 2hfd h ASP 28 CO -0.08 0.96 0.00 -0.78 -2.88 0.00 0.00 179.24 176.45 2hfd h ASP 29 N 0.75 -0.05 -0.80 2.28 3.58 -1.53 -1.45 116.42 119.20 2hfd h ASP 29 Ca 0.14 0.03 0.12 0.00 0.42 0.00 0.00 57.03 57.74 2hfd h ASP 29 Cb 0.51 0.05 -0.08 0.00 1.72 0.00 0.00 39.33 41.53 2hfd h ASP 29 CO 0.02 -0.01 0.41 -0.50 -2.88 0.00 0.00 179.24 176.29 2hfd h TRP 30 N 0.05 0.74 -0.67 0.28 4.06 -0.49 -2.23 115.95 117.69 2hfd h TRP 30 Ca 0.06 0.03 -0.04 0.00 2.06 0.00 0.00 58.89 61.00 2hfd h TRP 30 Cb 0.08 -0.21 -0.03 0.00 -1.00 0.00 0.00 29.16 28.00 2hfd h TRP 30 CO -0.15 0.23 0.25 1.25 -3.56 0.00 0.00 178.44 176.46 2hfd h LEU 31 N 0.65 0.92 -0.70 -4.49 7.12 0.25 0.15 115.31 119.21 2hfd h LEU 31 Ca 0.41 -0.14 -0.08 0.00 0.13 0.00 0.00 57.88 58.21 2hfd h LEU 31 Cb 0.51 -0.24 -0.01 0.00 -0.53 0.00 0.00 40.66 40.39 2hfd h LEU 31 CO -0.31 0.84 -0.37 0.00 -0.13 0.00 0.00 178.44 178.47 2hfd h THR 32 N 0.98 0.77 0.00 1.05 1.03 -0.88 -2.68 112.91 113.18 2hfd h THR 32 Ca 0.22 -1.61 0.00 0.00 -0.01 0.00 0.00 66.41 65.02 2hfd h THR 32 Cb 0.22 2.03 0.00 0.00 -1.07 0.00 0.00 68.15 69.33 2hfd h THR 32 CO -0.02 0.36 -0.35 0.00 -0.01 0.00 0.00 175.52 175.50 2hfd n GLN 33 N -3.40 0.01 -3.55 0.00 1.13 -0.78 -4.68 117.38 106.12 2hfd n GLN 33 Ca 0.01 0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 54.66 2hfd n GLN 33 Cb 0.55 -1.50 -0.09 0.00 0.11 0.00 0.00 30.24 29.31 2hfd n GLN 33 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2hfd s ALA 34 N -3.00 3.36 0.33 -1.58 0.00 -0.03 -4.94 121.76 115.91 2hfd s ALA 34 Ca 0.12 -2.24 0.01 0.00 0.00 0.00 0.00 51.96 49.85 2hfd s ALA 34 Cb 0.18 -2.77 0.57 0.00 0.00 0.00 0.00 23.12 21.10 2hfd s ALA 34 CO 0.65 -1.73 1.96 -1.35 0.00 0.00 0.00 175.76 175.29 2hfd h PRO 35 N 8.48 0.82 0.00 0.00 0.11 -1.83 -3.36 132.00 136.22 2hfd h PRO 35 Ca -0.24 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 65.79 2hfd h PRO 35 Cb 1.09 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.03 2hfd h PRO 35 CO 0.81 0.60 0.00 -0.25 -0.21 0.00 0.00 178.00 178.95 2hfd n ASP 36 N -4.39 0.00 -0.13 -2.05 9.92 -1.26 -0.74 116.55 117.90 2hfd n ASP 36 Ca 0.06 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.32 2hfd n ASP 36 Cb 0.10 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.58 2hfd n ASP 36 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2hfd n GLY 37 N 2.94 0.33 2.84 0.44 0.00 -1.26 -3.08 105.19 107.40 2hfd n GLY 37 Ca 0.00 -1.01 -0.15 0.00 0.00 0.00 0.00 46.02 44.87 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 0.00 0.09 -0.07 1.61 -7.23 -1.24 -0.31 120.40 113.26 2hfd s VAL 38 Ca 0.00 0.05 0.02 0.00 -1.81 0.00 0.00 61.98 60.24 2hfd s VAL 38 Cb 0.00 -0.15 0.01 0.00 0.56 0.00 0.00 36.38 36.80 2hfd s VAL 38 CO 0.00 0.08 -0.11 -0.69 -0.31 0.00 0.00 175.10 174.07 2hfd s VAL 39 N 0.58 1.07 -0.30 1.32 1.01 -0.38 -2.53 120.40 121.15 2hfd s VAL 39 Ca -0.05 -0.43 -0.11 0.00 0.00 0.00 0.00 61.98 61.39 2hfd s VAL 39 Cb -0.08 -0.99 -0.03 0.00 0.00 0.00 0.00 36.38 35.28 2hfd s VAL 39 CO -0.01 0.34 0.18 -0.76 0.00 0.00 0.00 175.10 174.85 2hfd s LEU 40 N 0.78 4.14 -0.36 3.92 1.02 -0.95 -0.86 118.68 126.36 2hfd s LEU 40 Ca -0.13 -0.29 0.08 0.00 0.02 0.00 0.00 54.13 53.82 2hfd s LEU 40 Cb -0.15 -2.08 0.72 0.00 0.02 0.00 0.00 46.19 44.70 2hfd s LEU 40 CO 0.02 -0.14 1.84 0.18 0.02 0.00 0.00 176.35 178.27 2hfd n LEU 41 N 5.04 6.25 0.00 1.79 4.32 -0.18 -3.71 117.00 130.51 2hfd n LEU 41 Ca -0.14 -3.36 0.00 0.00 -0.02 0.00 0.00 56.01 52.50 2hfd n LEU 41 Cb 0.51 -0.77 0.00 0.00 -1.62 0.00 0.00 43.42 41.53 2hfd n LEU 41 CO 0.34 0.89 0.00 -1.20 -1.22 0.00 0.00 177.39 176.21 2hfd n SER 42 N -0.48 -1.16 -3.81 -1.43 7.64 -1.26 -4.21 113.62 108.91 2hfd n SER 42 Ca 0.47 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 60.25 2hfd n SER 42 Cb 1.47 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 64.61 2hfd n SER 42 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2hfd s SER 43 N -4.00 -0.05 -0.30 6.43 0.01 -1.26 -1.74 113.70 112.79 2hfd s SER 43 Ca 0.00 -0.61 -0.29 0.00 1.31 0.00 0.00 55.95 56.36 2hfd s SER 43 Cb 0.00 0.44 0.02 0.00 0.21 0.00 0.00 66.02 66.69 2hfd s SER 43 CO 0.00 -0.86 1.07 -0.62 0.41 0.00 0.00 173.24 173.24 2hfd s ASP 44 N -2.88 6.97 0.06 2.44 2.15 -1.26 -5.01 116.67 119.13 2hfd s ASP 44 Ca 0.09 1.13 -0.29 0.00 0.43 0.00 0.00 52.55 53.91 2hfd s ASP 44 Cb 0.03 -2.54 -0.05 0.00 -0.30 0.00 0.00 42.92 40.05 2hfd s ASP 44 CO -0.07 -0.84 0.91 -2.16 -0.17 0.00 0.00 175.17 172.85 2hfd s PRO 45 N 3.56 4.62 0.00 4.34 0.05 -1.26 -4.99 135.00 141.31 2hfd s PRO 45 Ca 0.45 1.34 0.00 0.00 0.05 0.00 0.00 61.00 62.84 2hfd s PRO 45 Cb -0.13 -3.40 0.00 0.00 0.05 0.00 0.00 34.50 31.03 2hfd s PRO 45 CO 0.13 0.16 0.00 1.17 0.05 0.00 0.00 177.00 178.52 2hfd n LYS 46 N 3.08 0.00 -0.04 4.56 4.81 -1.26 -4.99 118.16 124.33 2hfd n LYS 46 Ca 0.02 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.42 2hfd n LYS 46 Cb 0.50 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.50 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 -0.71 2.53 -1.76 1.64 3.00 -1.26 -4.96 116.66 115.15 2hfd n ARG 47 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.43 2hfd n ARG 47 Cb 0.00 -1.18 -0.03 0.00 0.00 0.00 0.00 32.46 31.25 2hfd n ARG 47 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 2hfd s THR 48 N -2.17 3.19 -1.78 5.15 2.01 -1.26 -4.86 115.64 115.92 2hfd s THR 48 Ca -0.04 0.22 0.04 0.00 0.31 0.00 0.00 61.69 62.22 2hfd s THR 48 Cb 0.02 -3.19 0.13 0.00 0.01 0.00 0.00 72.50 69.48 2hfd s THR 48 CO 0.27 -0.07 1.03 -0.81 -0.69 0.00 0.00 174.62 174.36 2hfd n PRO 49 N 7.91 1.40 -3.78 4.92 -0.04 -1.26 -4.43 135.00 139.73 2hfd n PRO 49 Ca 0.23 -0.52 -0.29 0.00 -0.04 0.00 0.00 63.50 62.87 2hfd n PRO 49 Cb 0.43 -1.21 -0.13 0.00 -0.04 0.00 0.00 33.50 32.55 2hfd n PRO 49 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2hfd s GLU 50 N -1.72 1.68 0.42 0.54 2.02 -1.26 -4.94 118.70 115.43 2hfd s GLU 50 Ca 0.10 -2.47 0.22 0.00 0.02 0.00 0.00 54.97 52.84 2hfd s GLU 50 Cb 0.05 -2.72 0.84 0.00 0.10 0.00 0.00 34.13 32.41 2hfd s GLU 50 CO 0.06 -1.20 1.80 0.28 0.02 0.00 0.00 175.26 176.21 2hfd h VAL 51 N 5.05 0.64 -0.33 2.63 2.07 -1.99 -3.23 116.25 121.10 2hfd h VAL 51 Ca 0.04 -1.24 -0.10 0.00 0.82 0.00 0.00 66.70 66.22 2hfd h VAL 51 Cb 0.88 1.82 -0.01 0.00 -1.52 0.00 0.00 31.29 32.46 2hfd h VAL 51 CO 0.57 0.26 -0.20 -1.28 0.02 0.00 0.00 177.57 176.94 2hfd h SER 52 N 0.00 0.74 0.00 0.57 0.87 -1.97 -3.46 113.55 110.30 2hfd h SER 52 Ca -0.00 -0.43 0.00 0.00 -1.23 0.00 0.00 61.79 60.13 2hfd h SER 52 Cb 0.80 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.55 2hfd h SER 52 CO 0.03 1.00 0.00 -0.67 -0.53 0.00 0.00 176.83 176.67 2hfd n ASP 53 N -4.31 0.00 -3.02 6.23 2.03 -1.22 -3.31 116.55 112.95 2hfd n ASP 53 Ca -0.03 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.27 2hfd n ASP 53 Cb 0.42 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.82 2hfd n ASP 53 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 2hfd s ASN 54 N -4.00 -1.49 0.00 1.67 3.04 -1.26 -5.05 114.94 107.85 2hfd s ASN 54 Ca 0.00 -1.18 -0.02 0.00 0.04 0.00 0.00 52.86 51.69 2hfd s ASN 54 Cb 0.00 1.93 -0.11 0.00 -1.54 0.00 0.00 41.25 41.53 2hfd s ASN 54 CO 0.00 -0.12 2.57 -0.81 -3.04 0.00 0.00 177.10 175.71 2hfd n PRO 55 N 3.78 1.36 -0.07 0.43 -0.04 -1.21 -3.87 135.00 135.38 2hfd n PRO 55 Ca 0.14 -0.40 -0.03 0.00 -0.04 0.00 0.00 63.50 63.17 2hfd n PRO 55 Cb 0.57 -1.42 -0.16 0.00 -0.04 0.00 0.00 33.50 32.45 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 1.94 0.92 0.27 0.52 0.31 -1.26 -4.41 118.33 116.62 2hfd n VAL 56 Ca 0.17 -0.73 0.14 0.00 -0.01 0.00 0.00 64.34 63.90 2hfd n VAL 56 Cb 0.65 -0.31 0.78 0.00 -0.91 0.00 0.00 33.84 34.04 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 -0.28 5.55 -0.00 -1.94 -1.69 114.93 116.56 2hfd h MET 57 Ca -0.35 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.34 2hfd h MET 57 Cb 1.81 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 33.40 2hfd h MET 57 CO 0.02 0.09 0.15 0.82 -0.00 0.00 0.00 176.91 177.99 2hfd h ILE 58 N 0.00 1.13 -0.15 -0.10 1.08 -1.90 -0.36 117.51 117.22 2hfd h ILE 58 Ca -0.00 -0.35 -0.14 0.00 -0.39 0.00 0.00 64.86 63.98 2hfd h ILE 58 Cb 0.26 0.85 -0.01 0.00 -3.07 0.00 0.00 36.82 34.85 2hfd h ILE 58 CO 0.01 0.13 -0.49 1.23 -0.69 0.00 0.00 178.15 178.34 2hfd h GLY 59 N 0.34 0.43 1.86 5.37 0.00 -1.59 -2.66 103.07 106.80 2hfd h GLY 59 Ca 0.10 -0.46 -0.10 0.00 0.00 0.00 0.00 47.33 46.87 2hfd h GLY 59 CO -0.02 0.41 -0.42 0.83 0.00 0.00 0.00 176.54 177.35 2hfd h GLU 60 N 0.31 0.16 -0.13 4.80 4.39 -1.31 -3.19 114.58 119.62 2hfd h GLU 60 Ca 0.01 -0.08 -0.07 0.00 0.34 0.00 0.00 59.36 59.57 2hfd h GLU 60 Cb 0.98 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.63 2hfd h GLU 60 CO 0.08 0.56 -0.20 1.25 -1.16 0.00 0.00 179.01 179.54 2hfd h LEU 61 N 0.14 0.40 -2.20 1.33 5.85 -0.73 -3.08 115.31 117.02 2hfd h LEU 61 Ca 0.01 -0.53 0.02 0.00 0.84 0.00 0.00 57.88 58.22 2hfd h LEU 61 Cb 0.80 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.72 2hfd h LEU 61 CO 0.06 0.85 0.06 -0.07 -0.34 0.00 0.00 178.44 179.00 2hfd h LEU 62 N -0.05 0.00 -1.30 2.25 4.07 -1.50 -2.00 115.31 116.78 2hfd h LEU 62 Ca 0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.97 2hfd h LEU 62 Cb 0.77 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.51 2hfd h LEU 62 CO 0.05 0.00 0.00 0.54 -1.08 0.00 0.00 178.44 177.95 2hfd n ARG 63 N -4.18 0.15 -0.11 1.13 5.12 -1.16 -1.92 116.66 115.69 2hfd n ARG 63 Ca -0.01 0.60 -0.11 0.00 -1.93 0.00 0.00 57.85 56.40 2hfd n ARG 63 Cb 0.17 -1.95 -0.03 0.00 -1.16 0.00 0.00 32.46 29.49 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 0.57 -2.07 5.56 4.39 -1.52 -3.38 114.58 118.12 2hfd h GLU 64 Ca 0.00 -0.19 -0.57 0.00 0.34 0.00 0.00 59.36 58.94 2hfd h GLU 64 Cb 0.07 -0.05 -0.39 0.00 -0.10 0.00 0.00 28.75 28.28 2hfd h GLU 64 CO 0.00 0.72 -1.08 1.19 -1.16 0.00 0.00 179.01 178.67 2hfd n PHE 65 N -4.53 -0.49 0.19 4.33 3.72 -0.81 -4.96 117.46 114.92 2hfd n PHE 65 Ca -0.02 -3.51 0.05 0.00 -0.05 0.00 0.00 57.45 53.92 2hfd n PHE 65 Cb 0.28 -0.22 0.22 0.00 -0.94 0.00 0.00 39.48 38.81 2hfd n PHE 65 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2hfd n PRO 66 N 1.70 2.76 0.18 -1.08 -0.04 -1.09 -4.26 135.00 133.17 2hfd n PRO 66 Ca 0.23 -1.72 0.06 0.00 -0.04 0.00 0.00 63.50 62.03 2hfd n PRO 66 Cb 0.52 -1.70 0.29 0.00 -0.04 0.00 0.00 33.50 32.57 2hfd n PRO 66 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 2hfd h ASP 67 N 2.40 0.00 -1.35 3.54 3.58 -1.93 -3.45 116.42 119.22 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 1.05 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.10 2hfd h ASP 67 CO 0.17 0.37 0.00 0.00 -2.88 0.00 0.00 179.24 176.90 2hfd n TYR 68 N -3.43 0.00 -3.93 0.28 4.19 -1.26 -5.07 117.16 107.94 2hfd n TYR 68 Ca 0.00 0.00 -0.33 0.00 3.31 0.00 0.00 57.90 60.88 2hfd n TYR 68 Cb 0.55 0.00 -0.14 0.00 0.49 0.00 0.00 39.34 40.24 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 2.10 2.72 -1.04 2.97 -4.23 -1.26 -5.03 115.64 111.87 2hfd s THR 69 Ca 0.00 -2.04 -0.13 0.00 -1.18 0.00 0.00 61.69 58.34 2hfd s THR 69 Cb 0.00 -2.85 0.21 0.00 1.34 0.00 0.00 72.50 71.20 2hfd s THR 69 CO 0.00 -0.50 1.12 0.26 -0.54 0.00 0.00 174.62 174.96 2hfd s TRP 70 N 1.05 3.73 -0.59 3.99 0.52 -1.26 -4.27 118.94 122.11 2hfd s TRP 70 Ca 0.06 -2.13 -0.28 0.00 0.02 0.00 0.00 56.10 53.77 2hfd s TRP 70 Cb -0.21 -4.05 0.02 0.00 -1.15 0.00 0.00 33.47 28.09 2hfd s TRP 70 CO -0.05 -1.18 1.39 -0.65 0.02 0.00 0.00 176.95 176.48 2hfd s GLN 71 N 0.58 3.28 -0.59 4.98 -0.21 -1.26 -4.96 119.66 121.48 2hfd s GLN 71 Ca 0.31 0.35 -0.23 0.00 0.02 0.00 0.00 55.36 55.81 2hfd s GLN 71 Cb -0.07 -4.13 0.05 0.00 1.00 0.00 0.00 33.01 29.86 2hfd s GLN 71 CO -0.06 -1.97 0.93 0.08 -2.12 0.00 0.00 175.29 172.14 2hfd s VAL 72 N 6.03 4.39 -0.15 1.09 1.01 -1.26 -3.59 120.40 127.92 2hfd s VAL 72 Ca 0.50 -0.05 -0.05 0.00 0.00 0.00 0.00 61.98 62.38 2hfd s VAL 72 Cb -0.10 -4.58 -0.03 0.00 0.00 0.00 0.00 36.38 31.66 2hfd s VAL 72 CO 0.24 -1.24 0.02 0.00 0.00 0.00 0.00 175.10 174.11 2hfd s ALA 73 N 3.91 3.25 -0.05 5.51 0.00 -1.05 -2.83 121.76 130.50 2hfd s ALA 73 Ca 0.26 -0.78 0.04 0.00 0.00 0.00 0.00 51.96 51.47 2hfd s ALA 73 Cb -0.15 -1.70 -0.03 0.00 0.00 0.00 0.00 23.12 21.24 2hfd s ALA 73 CO 0.15 0.29 -0.15 0.96 0.00 0.00 0.00 175.76 177.01 2hfd s ILE 74 N 0.07 3.02 0.16 0.00 -4.36 0.12 -2.24 121.20 117.98 2hfd s ILE 74 Ca 0.03 -0.74 0.05 0.00 -0.26 0.00 0.00 60.65 59.73 2hfd s ILE 74 Cb -0.13 -2.18 -0.04 0.00 1.25 0.00 0.00 42.46 41.36 2hfd s ILE 74 CO 0.02 0.59 0.14 0.00 0.24 0.00 0.00 174.94 175.93 2hfd s ALA 75 N -0.69 3.60 0.81 2.27 0.00 -1.24 -0.44 121.76 126.06 2hfd s ALA 75 Ca 0.11 -1.19 -0.14 0.00 0.00 0.00 0.00 51.96 50.74 2hfd s ALA 75 Cb -0.11 -1.40 0.05 0.00 0.00 0.00 0.00 23.12 21.67 2hfd s ALA 75 CO 0.01 0.52 0.95 -0.25 0.00 0.00 0.00 175.76 176.98 2hfd n ASP 76 N -0.32 0.12 0.15 0.00 9.92 -1.26 -4.71 116.55 120.45 2hfd n ASP 76 Ca -0.08 0.55 -0.13 0.00 -0.53 0.00 0.00 54.79 54.60 2hfd n ASP 76 Cb 0.54 -1.40 -0.06 0.00 -0.64 0.00 0.00 41.12 39.56 2hfd n ASP 76 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 2hfd h LEU 77 N -0.87 -0.58 -0.56 0.64 5.85 -1.98 0.16 115.31 117.97 2hfd h LEU 77 Ca -0.46 0.05 -0.11 0.00 0.84 0.00 0.00 57.88 58.21 2hfd h LEU 77 Cb 1.31 0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.52 2hfd h LEU 77 CO 0.44 -0.32 -0.51 -0.33 -0.34 0.00 0.00 178.44 177.38 2hfd h GLU 78 N -0.46 0.00 0.00 1.25 5.08 -2.02 -3.02 114.58 115.42 2hfd h GLU 78 Ca 0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.26 2hfd h GLU 78 Cb 0.43 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 2hfd h GLU 78 CO -0.06 0.51 -0.50 1.96 -1.00 0.00 0.00 179.01 179.93 2hfd h GLN 79 N 0.00 0.00 -0.71 2.33 1.08 -1.75 -2.72 115.11 113.34 2hfd h GLN 79 Ca -0.01 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.16 2hfd h GLN 79 Cb 1.16 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.55 2hfd h GLN 79 CO 0.07 0.50 0.29 0.77 -0.95 0.00 0.00 178.83 179.51 2hfd h SER 80 N 0.00 0.96 -0.51 1.46 0.02 -0.57 -1.36 113.55 113.56 2hfd h SER 80 Ca -0.01 -0.14 -0.05 0.00 -0.84 0.00 0.00 61.79 60.76 2hfd h SER 80 Cb 0.90 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 63.17 2hfd h SER 80 CO 0.07 0.85 0.12 -0.33 -1.14 0.00 0.00 176.83 176.39 2hfd h GLU 81 N 1.03 0.82 -0.70 3.45 5.08 -1.55 -1.46 114.58 121.23 2hfd h GLU 81 Ca 0.24 -0.20 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 2hfd h GLU 81 Cb 0.19 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 2hfd h GLU 81 CO -0.02 0.79 0.23 0.00 -1.00 0.00 0.00 179.01 179.01 2hfd h ALA 82 N 0.99 1.08 -0.17 3.43 0.00 -1.27 0.18 119.26 123.49 2hfd h ALA 82 Ca 0.16 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2hfd h ALA 82 Cb 0.34 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2hfd h ALA 82 CO 0.00 0.63 0.07 0.82 0.00 0.00 0.00 179.25 180.77 2hfd h ILE 83 N 1.04 1.16 -0.29 0.00 2.04 -1.04 0.11 117.51 120.52 2hfd h ILE 83 Ca 0.23 -0.47 -0.00 0.00 1.00 0.00 0.00 64.86 65.62 2hfd h ILE 83 Cb 0.28 1.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 2hfd h ILE 83 CO -0.01 0.15 0.17 1.23 0.00 0.00 0.00 178.15 179.69 2hfd h GLY 84 N 0.12 0.42 0.79 5.37 0.00 -0.95 -1.95 103.07 106.88 2hfd h GLY 84 Ca 0.06 -0.18 0.04 0.00 0.00 0.00 0.00 47.33 47.25 2hfd h GLY 84 CO -0.00 0.17 0.28 -1.80 0.00 0.00 0.00 176.54 175.18 2hfd h ASP 85 N 0.36 0.42 -0.80 0.19 3.58 -0.54 0.30 116.42 119.94 2hfd h ASP 85 Ca 0.10 0.02 0.06 0.00 0.42 0.00 0.00 57.03 57.63 2hfd h ASP 85 Cb 0.02 -0.07 -0.05 0.00 1.72 0.00 0.00 39.33 40.95 2hfd h ASP 85 CO -0.02 0.29 0.52 -0.09 -2.88 0.00 0.00 179.24 177.07 2hfd h ARG 86 N 0.54 0.87 0.23 0.28 2.43 -0.51 -2.72 114.38 115.49 2hfd h ARG 86 Ca 0.22 -0.05 -0.34 0.00 -0.81 0.00 0.00 59.98 58.99 2hfd h ARG 86 Cb 0.09 -0.20 0.03 0.00 -0.42 0.00 0.00 29.97 29.47 2hfd h ARG 86 CO -0.13 0.57 -1.59 0.35 -1.51 0.00 0.00 179.97 177.67 2hfd h PHE 87 N 0.89 0.88 0.00 2.20 3.04 -0.61 -3.48 116.94 119.85 2hfd h PHE 87 Ca 0.34 -0.64 0.00 0.00 3.98 0.00 0.00 57.97 61.65 2hfd h PHE 87 Cb 0.19 -0.04 0.00 0.00 2.56 0.00 0.00 35.95 38.67 2hfd h PHE 87 CO -0.00 1.61 0.00 0.41 -2.02 0.00 0.00 178.31 178.31 2hfd n GLY 88 N 1.78 1.64 0.05 2.40 0.00 0.99 -5.02 105.19 107.04 2hfd n GLY 88 Ca -0.20 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.93 2hfd n GLY 88 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2hfd n VAL 89 N -0.54 0.25 -0.58 1.61 0.31 -0.81 -5.03 118.33 113.54 2hfd n VAL 89 Ca 0.00 -0.30 0.08 0.00 -0.01 0.00 0.00 64.34 64.11 2hfd n VAL 89 Cb 0.00 0.07 -0.02 0.00 -0.91 0.00 0.00 33.84 32.97 2hfd n VAL 89 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 2hfd n PHE 90 N -2.09 -1.48 -2.11 3.52 7.35 -1.26 -4.62 117.46 116.76 2hfd n PHE 90 Ca 0.02 0.76 -0.36 0.00 -0.76 0.00 0.00 57.45 57.11 2hfd n PHE 90 Cb 0.46 -1.35 -0.04 0.00 0.35 0.00 0.00 39.48 38.90 2hfd n PHE 90 CO 0.00 0.00 0.00 0.50 -0.76 0.00 0.00 176.76 176.50 2hfd s ARG 91 N -2.10 2.70 -0.28 -4.13 3.52 -1.26 -4.76 118.95 112.64 2hfd s ARG 91 Ca 0.00 0.20 -0.03 0.00 -0.13 0.00 0.00 55.73 55.77 2hfd s ARG 91 Cb 0.00 -4.60 0.11 0.00 -1.56 0.00 0.00 34.95 28.90 2hfd s ARG 91 CO 0.00 -2.83 0.18 0.12 -0.81 0.00 0.00 175.30 171.96 2hfd s PHE 92 N 8.85 0.05 -0.16 5.12 5.36 -1.26 -5.13 117.98 130.81 2hfd s PHE 92 Ca 0.64 -0.60 -0.26 0.00 -0.96 0.00 0.00 56.93 55.75 2hfd s PHE 92 Cb -0.10 -0.74 -0.01 0.00 -0.34 0.00 0.00 43.02 41.83 2hfd s PHE 92 CO 0.13 -0.84 0.85 -1.25 -1.46 0.00 0.00 175.22 172.66 2hfd s PRO 93 N 2.19 4.32 0.00 10.12 0.05 -1.26 -4.98 135.00 145.44 2hfd s PRO 93 Ca 0.09 1.07 -0.00 0.00 0.05 0.00 0.00 61.00 62.20 2hfd s PRO 93 Cb -0.15 -3.57 0.00 0.00 0.05 0.00 0.00 34.50 30.83 2hfd s PRO 93 CO -0.34 -0.32 0.01 0.00 0.05 0.00 0.00 177.00 176.40 2hfd n ALA 94 N 5.19 -0.02 -2.53 8.56 0.00 -0.71 -4.48 120.51 126.51 2hfd n ALA 94 Ca 0.05 -0.01 -0.43 0.00 0.00 0.00 0.00 53.44 53.05 2hfd n ALA 94 Cb 0.49 0.00 -0.08 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 -2.39 5.08 -0.26 0.00 2.01 -1.24 -1.01 115.64 117.82 2hfd s THR 95 Ca 0.00 -0.41 -0.16 0.00 0.31 0.00 0.00 61.69 61.43 2hfd s THR 95 Cb -0.00 -4.07 -0.03 0.00 0.01 0.00 0.00 72.50 68.41 2hfd s THR 95 CO 0.00 -0.47 0.42 -0.76 -0.69 0.00 0.00 174.62 173.12 2hfd s LEU 96 N 2.15 4.05 -0.19 4.42 1.43 -0.04 -0.92 118.68 129.57 2hfd s LEU 96 Ca 0.12 0.37 -0.09 0.00 -1.03 0.00 0.00 54.13 53.50 2hfd s LEU 96 Cb -0.18 -2.50 -0.05 0.00 0.03 0.00 0.00 46.19 43.49 2hfd s LEU 96 CO 0.13 -0.21 0.11 0.54 0.23 0.00 0.00 176.35 177.15 2hfd s VAL 97 N 2.10 5.26 0.45 -1.59 0.11 -0.87 -1.25 120.40 124.60 2hfd s VAL 97 Ca 0.17 0.14 0.06 0.00 -2.93 0.00 0.00 61.98 59.41 2hfd s VAL 97 Cb -0.16 -3.39 -0.04 0.00 -1.53 0.00 0.00 36.38 31.26 2hfd s VAL 97 CO 0.10 0.45 0.11 -0.36 -3.33 0.00 0.00 175.10 172.07 2hfd s PHE 98 N 0.31 2.30 -0.20 1.54 0.08 0.58 -1.50 117.98 121.09 2hfd s PHE 98 Ca 0.07 -0.73 -0.08 0.00 0.12 0.00 0.00 56.93 56.32 2hfd s PHE 98 Cb -0.11 -1.82 0.08 0.00 -0.57 0.00 0.00 43.02 40.60 2hfd s PHE 98 CO -0.01 0.20 0.44 0.95 -0.10 0.00 0.00 175.22 176.70 2hfd s THR 99 N -2.72 -0.49 -1.41 0.64 -4.23 0.11 -4.28 115.64 103.26 2hfd s THR 99 Ca 0.30 0.14 0.00 0.00 -1.18 0.00 0.00 61.69 60.95 2hfd s THR 99 Cb 0.05 -0.68 0.00 0.00 1.34 0.00 0.00 72.50 73.20 2hfd s THR 99 CO 0.16 0.06 0.00 0.61 -0.54 0.00 0.00 174.62 174.91 2hfd n GLY 100 N 5.08 -0.47 2.46 3.99 0.00 0.08 -0.24 105.19 116.10 2hfd n GLY 100 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.90 0.89 3.76 -0.02 0.00 -1.26 -5.03 105.19 102.63 2hfd n GLY 101 Ca -0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.90 5.23 -0.14 1.61 0.01 0.67 -5.07 114.94 114.35 2hfd s ASN 102 Ca 0.00 -0.29 -0.29 0.00 -0.71 0.00 0.00 52.86 51.56 2hfd s ASN 102 Cb 0.00 -1.26 -0.03 0.00 0.41 0.00 0.00 41.25 40.37 2hfd s ASN 102 CO 0.00 0.03 1.45 -0.47 -1.51 0.00 0.00 177.10 176.60 2hfd s TYR 103 N -1.94 2.44 -0.21 2.20 5.04 -1.26 0.05 117.35 123.67 2hfd s TYR 103 Ca 0.31 0.65 -0.13 0.00 -2.44 0.00 0.00 57.07 55.46 2hfd s TYR 103 Cb -0.09 -3.73 -0.19 0.00 0.35 0.00 0.00 41.96 38.30 2hfd s TYR 103 CO 0.22 -2.61 0.06 -2.13 -1.34 0.00 0.00 175.55 169.75 2hfd n ARG 104 N 6.96 0.63 -3.27 4.97 3.00 -0.56 -4.84 116.66 123.55 2hfd n ARG 104 Ca 0.16 0.37 0.00 0.00 -0.00 0.00 0.00 57.85 58.38 2hfd n ARG 104 Cb 0.44 -1.65 0.00 0.00 0.00 0.00 0.00 32.46 31.25 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 1.63 -1.11 2.92 5.14 0.00 -0.83 -4.85 105.19 108.09 2hfd n GLY 105 Ca -0.39 -0.87 -0.18 0.00 0.00 0.00 0.00 46.02 44.58 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 0.44 -0.36 1.61 0.11 -1.26 -2.05 120.40 115.88 2hfd s VAL 106 Ca 0.00 -0.15 -0.19 0.00 -2.93 0.00 0.00 61.98 58.71 2hfd s VAL 106 Cb 0.00 -0.43 0.00 0.00 -1.53 0.00 0.00 36.38 34.42 2hfd s VAL 106 CO 0.00 0.17 0.56 -0.76 -3.33 0.00 0.00 175.10 171.74 2hfd s LEU 107 N 0.43 4.34 -0.36 2.54 1.43 -0.09 -4.99 118.68 121.98 2hfd s LEU 107 Ca -0.05 -0.01 0.04 0.00 -1.03 0.00 0.00 54.13 53.08 2hfd s LEU 107 Cb -0.09 -2.65 0.10 0.00 0.03 0.00 0.00 46.19 43.58 2hfd s LEU 107 CO -0.00 -0.54 0.08 0.21 0.23 0.00 0.00 176.35 176.33 2hfd s ASN 108 N 1.79 4.74 0.00 2.29 3.84 -1.26 -3.71 114.94 122.63 2hfd s ASN 108 Ca 0.21 -2.25 0.00 0.00 0.21 0.00 0.00 52.86 51.02 2hfd s ASN 108 Cb -0.15 -1.64 0.00 0.00 -0.55 0.00 0.00 41.25 38.91 2hfd s ASN 108 CO 0.14 -0.37 0.00 0.61 -2.79 0.00 0.00 177.10 174.69 2hfd n GLY 109 N 4.13 3.08 0.03 1.21 0.00 -1.26 -5.01 105.19 107.37 2hfd n GLY 109 Ca 0.04 -0.14 -0.04 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.68 0.35 -0.07 -0.61 2.08 -1.26 -4.93 119.36 114.24 2hfd n ILE 110 Ca 0.00 -0.14 -0.12 0.00 0.56 0.00 0.00 62.75 63.05 2hfd n ILE 110 Cb 0.00 -0.73 -0.06 0.00 -0.75 0.00 0.00 39.64 38.10 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 -2.64 0.00 -1.92 1.39 8.25 -1.26 -4.95 115.22 114.09 2hfd n HIS 111 Ca -0.10 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.93 2hfd n HIS 111 Cb 0.62 -0.53 -0.03 0.00 1.12 0.00 0.00 29.99 31.17 2hfd n HIS 111 CO 0.00 0.00 0.00 -2.14 0.64 0.00 0.00 176.34 174.84 2hfd s PRO 112 N -2.27 4.17 -0.25 -0.41 0.02 -1.26 -4.88 135.00 130.12 2hfd s PRO 112 Ca -0.19 2.30 -0.16 0.00 0.02 0.00 0.00 61.00 62.97 2hfd s PRO 112 Cb 0.06 -4.01 -0.13 0.00 0.02 0.00 0.00 34.50 30.45 2hfd s PRO 112 CO 0.29 -0.87 -0.24 1.87 -0.33 0.00 0.00 177.00 177.73 2hfd n TRP 113 N 7.13 0.23 -0.22 6.54 -0.00 -1.26 -2.48 117.44 127.39 2hfd n TRP 113 Ca 0.18 0.10 0.05 0.00 -0.00 0.00 0.00 57.50 57.83 2hfd n TRP 113 Cb 0.42 -0.98 0.30 0.00 -0.00 0.00 0.00 31.31 31.06 2hfd n TRP 113 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 2hfd h ALA 114 N -0.90 1.61 0.06 5.87 0.00 -1.99 0.12 119.26 124.04 2hfd h ALA 114 Ca -0.56 -0.03 -0.25 0.00 0.00 0.00 0.00 54.91 54.07 2hfd h ALA 114 Cb 1.48 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2hfd h ALA 114 CO -0.34 0.27 -1.08 0.93 0.00 0.00 0.00 179.25 179.03 2hfd h GLU 115 N 0.87 0.33 -0.29 0.00 5.08 -1.98 -1.17 114.58 117.43 2hfd h GLU 115 Ca 0.33 -0.44 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 2hfd h GLU 115 Cb 0.19 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 2hfd h GLU 115 CO -0.11 1.15 0.13 1.25 -1.00 0.00 0.00 179.01 180.43 2hfd h LEU 116 N 0.14 0.38 -0.65 1.33 7.12 -1.02 -2.28 115.31 120.34 2hfd h LEU 116 Ca -0.10 -0.13 -0.01 0.00 0.13 0.00 0.00 57.88 57.76 2hfd h LEU 116 Cb 1.76 -0.10 -0.03 0.00 -0.53 0.00 0.00 40.66 41.76 2hfd h LEU 116 CO 0.18 0.41 0.37 0.40 -0.13 0.00 0.00 178.44 179.67 2hfd h ILE 117 N 0.33 1.20 -0.11 4.05 2.04 -0.81 -2.64 117.51 121.56 2hfd h ILE 117 Ca 0.10 -0.47 0.04 0.00 1.00 0.00 0.00 64.86 65.52 2hfd h ILE 117 Cb 0.13 0.33 -0.06 0.00 -0.74 0.00 0.00 36.82 36.48 2hfd h ILE 117 CO -0.01 0.21 -0.46 -1.13 0.00 0.00 0.00 178.15 176.76 2hfd h ASN 118 N 0.89 -1.44 -0.21 1.72 -1.24 -0.95 0.34 115.58 114.68 2hfd h ASN 118 Ca 0.23 0.18 0.03 0.00 0.71 0.00 0.00 56.30 57.46 2hfd h ASN 118 Cb 0.01 0.58 -0.03 0.00 0.73 0.00 0.00 38.32 39.60 2hfd h ASN 118 CO -0.04 -0.45 0.02 -0.07 -1.29 0.00 0.00 177.43 175.60 2hfd h LEU 119 N -0.54 -0.04 -0.66 0.34 3.38 -1.33 0.22 115.31 116.68 2hfd h LEU 119 Ca 0.06 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 2hfd h LEU 119 Cb 0.65 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 2hfd h LEU 119 CO -0.40 0.01 0.37 -0.03 0.09 0.00 0.00 178.44 178.47 2hfd h MET 120 N 0.09 0.92 -0.38 1.13 4.05 -1.12 -1.37 114.93 118.26 2hfd h MET 120 Ca 0.10 -0.10 -0.08 0.00 -0.28 0.00 0.00 59.70 59.33 2hfd h MET 120 Cb 0.11 -0.18 -0.02 0.00 -0.80 0.00 0.00 31.60 30.71 2hfd h MET 120 CO -0.15 0.69 -0.11 -0.09 0.23 0.00 0.00 176.91 177.47 2hfd h ARG 121 N 0.90 0.66 -0.00 0.39 2.43 0.17 -0.04 114.38 118.89 2hfd h ARG 121 Ca 0.23 -0.20 -0.10 0.00 -0.81 0.00 0.00 59.98 59.10 2hfd h ARG 121 Cb 0.03 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 2hfd h ARG 121 CO -0.04 0.75 -0.48 0.78 -1.51 0.00 0.00 179.97 179.47 2hfd h GLY 122 N 0.96 0.01 0.41 2.80 0.00 -0.11 0.25 103.07 107.40 2hfd h GLY 122 Ca 0.11 -0.01 -0.08 0.00 0.00 0.00 0.00 47.33 47.34 2hfd h GLY 122 CO 0.03 0.01 -0.35 1.41 0.00 0.00 0.00 176.54 177.64 2hfd h LEU 123 N 0.01 0.24 -0.07 3.11 3.38 -0.69 -3.26 115.31 118.03 2hfd h LEU 123 Ca -0.00 -0.88 -0.23 0.00 0.09 0.00 0.00 57.88 56.85 2hfd h LEU 123 Cb 0.85 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.52 2hfd h LEU 123 CO 0.06 1.10 -1.04 -0.37 0.09 0.00 0.00 178.44 178.28 2hfd h VAL 124 N -0.58 1.50 -3.37 1.22 -1.51 -1.03 -3.38 116.25 109.10 2hfd h VAL 124 Ca -0.05 -2.83 -0.66 0.00 -1.23 0.00 0.00 66.70 61.92 2hfd h VAL 124 Cb 1.19 2.68 -0.39 0.00 -2.13 0.00 0.00 31.29 32.64 2hfd h VAL 124 CO 0.07 0.83 -0.48 -0.70 -1.23 0.00 0.00 177.57 176.06 2hfd s GLU 125 N -2.96 2.40 0.26 5.19 2.56 0.89 -5.08 118.70 121.96 2hfd s GLU 125 Ca -0.04 -2.82 -0.12 0.00 0.00 0.00 0.00 54.97 51.99 2hfd s GLU 125 Cb 0.09 -3.53 -0.08 0.00 2.00 0.00 0.00 34.13 32.60 2hfd s GLU 125 CO 0.86 -1.18 0.62 -1.25 -0.56 0.00 0.00 175.26 173.75 2hfd s PRO 126 N -0.59 3.88 0.00 4.30 0.04 -1.23 -4.33 135.00 137.07 2hfd s PRO 126 Ca 0.20 0.43 0.27 0.00 0.04 0.00 0.00 61.00 61.94 2hfd s PRO 126 Cb -0.18 -2.57 0.88 0.00 0.04 0.00 0.00 34.50 32.68 2hfd s PRO 126 CO -0.06 0.26 1.65 1.04 0.04 0.00 0.00 177.00 179.93 2hfd n GLN 127 N -0.22 1.75 -1.86 4.56 6.02 -1.26 -5.01 117.38 121.36 2hfd n GLN 127 Ca 0.02 -1.12 -0.02 0.00 -0.01 0.00 0.00 57.00 55.87 2hfd n GLN 127 Cb 0.53 -1.48 -0.02 0.00 1.02 0.00 0.00 30.24 30.29 2hfd n GLN 127 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 2hfd n GLN 128 N 0.35 -1.83 -4.11 -1.09 7.27 -1.26 -5.13 117.38 111.59 2hfd n GLN 128 Ca 0.18 1.67 -0.21 0.00 0.07 0.00 0.00 57.00 58.71 2hfd n GLN 128 Cb 0.40 -2.52 -0.07 0.00 2.41 0.00 0.00 30.24 30.46 2hfd n GLN 128 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 2hfd n GLU 129 N 0.67 0.50 -2.33 3.69 1.02 -1.26 -5.10 120.64 117.83 2hfd n GLU 129 Ca -0.14 -3.08 -0.43 0.00 -0.02 0.00 0.00 57.16 53.49 2hfd n GLU 129 Cb 0.22 2.03 -0.02 0.00 -0.02 0.00 0.00 31.44 33.65 2hfd n GLU 129 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 2hfd s ARG 130 N -3.33 3.80 0.53 3.49 3.52 -1.26 -4.99 118.95 120.71 2hfd s ARG 130 Ca 0.26 1.27 -0.18 0.00 -0.13 0.00 0.00 55.73 56.95 2hfd s ARG 130 Cb 0.01 -3.95 -0.07 0.00 -1.56 0.00 0.00 34.95 29.38 2hfd s ARG 130 CO 0.19 -1.28 1.04 0.00 -0.81 0.00 0.00 175.30 174.43 2hfd s ALA 131 N 4.86 2.85 -2.03 6.12 0.00 -1.26 -5.27 121.76 127.03 2hfd s ALA 131 Ca 0.61 0.46 0.32 0.00 0.00 0.00 0.00 51.96 53.35 2hfd s ALA 131 Cb -0.18 -3.22 1.86 0.00 0.00 0.00 0.00 23.12 21.57 2hfd s ALA 131 CO 0.27 -0.48 2.20 0.45 0.00 0.00 0.00 175.76 178.19