#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 -5.74 -3.05 3.17 7.64 -1.26 -4.06 113.62 110.33 2hfd n SER 2 Ca 0.00 -0.62 -0.02 0.00 1.01 0.00 0.00 58.87 59.24 2hfd n SER 2 Cb 0.00 -4.64 0.00 0.00 -1.01 0.00 0.00 64.21 58.56 2hfd n SER 2 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2hfd n ASN 3 N -3.01 -7.74 -1.14 6.43 5.15 -1.26 -4.83 115.26 108.86 2hfd n ASN 3 Ca -0.08 0.01 0.15 0.00 -0.60 0.00 0.00 54.58 54.06 2hfd n ASN 3 Cb 0.61 -5.21 -0.05 0.00 -0.53 0.00 0.00 39.78 34.60 2hfd n ASN 3 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 2hfd n ASP 4 N -1.54 -6.83 0.12 1.20 -0.08 -1.26 -4.93 116.55 103.24 2hfd n ASP 4 Ca 0.01 0.68 0.00 0.00 -1.51 0.00 0.00 54.79 53.97 2hfd n ASP 4 Cb 0.50 -3.60 0.00 0.00 2.34 0.00 0.00 41.12 40.36 2hfd n ASP 4 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 2hfd n THR 5 N -3.80 0.00 -0.08 5.18 -1.04 -1.26 -3.79 114.28 109.49 2hfd n THR 5 Ca -0.02 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.86 2hfd n THR 5 Cb 0.53 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.99 2hfd n THR 5 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 2hfd h PRO 6 N 0.00 0.62 -0.10 -2.82 0.11 -1.96 -0.90 132.00 126.95 2hfd h PRO 6 Ca 0.00 -0.34 -0.16 0.00 0.11 0.00 0.00 66.00 65.61 2hfd h PRO 6 Cb 0.00 0.02 0.01 0.00 0.11 0.00 0.00 31.00 31.14 2hfd h PRO 6 CO 0.00 0.95 -0.55 0.35 -0.21 0.00 0.00 178.00 178.54 2hfd h PHE 7 N 0.32 0.76 0.04 0.65 3.57 -1.93 -1.31 116.94 119.03 2hfd h PHE 7 Ca 0.03 -0.34 0.03 0.00 3.53 0.00 0.00 57.97 61.22 2hfd h PHE 7 Cb 0.86 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 39.45 2hfd h PHE 7 CO 0.08 1.13 -0.22 0.22 -2.23 0.00 0.00 178.31 177.28 2hfd h ASP 8 N 0.17 -0.65 -0.56 0.41 3.58 -1.89 0.34 116.42 117.83 2hfd h ASP 8 Ca -0.04 0.09 -0.03 0.00 0.42 0.00 0.00 57.03 57.47 2hfd h ASP 8 Cb 1.20 0.26 -0.02 0.00 1.72 0.00 0.00 39.33 42.48 2hfd h ASP 8 CO 0.11 -0.30 0.23 0.00 -2.88 0.00 0.00 179.24 176.41 2hfd h ALA 9 N 0.46 0.72 -0.65 -0.78 0.00 -1.19 0.24 119.26 118.06 2hfd h ALA 9 Ca 0.05 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 2hfd h ALA 9 Cb 0.44 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2hfd h ALA 9 CO -0.18 0.32 0.20 -0.07 0.00 0.00 0.00 179.25 179.52 2hfd h LEU 10 N 0.76 0.96 -0.71 0.00 -0.00 -0.96 -1.85 115.31 113.51 2hfd h LEU 10 Ca 0.19 -0.21 -0.07 0.00 -0.00 0.00 0.00 57.88 57.79 2hfd h LEU 10 Cb 0.18 -0.25 -0.03 0.00 -0.00 0.00 0.00 40.66 40.56 2hfd h LEU 10 CO -0.02 0.92 0.19 -0.25 -0.00 0.00 0.00 178.44 179.28 2hfd h TRP 11 N 0.95 1.18 -1.00 1.13 7.01 0.05 0.18 115.95 125.45 2hfd h TRP 11 Ca 0.21 -0.13 0.05 0.00 2.11 0.00 0.00 58.89 61.13 2hfd h TRP 11 Cb 0.31 -0.34 -0.06 0.00 -2.10 0.00 0.00 29.16 26.97 2hfd h TRP 11 CO 0.02 0.95 0.65 1.96 -2.79 0.00 0.00 178.44 179.24 2hfd h GLN 12 N 1.07 1.18 0.17 2.65 1.08 -0.63 0.34 115.11 120.97 2hfd h GLN 12 Ca 0.23 -0.07 -0.01 0.00 -1.45 0.00 0.00 58.65 57.35 2hfd h GLN 12 Cb 0.35 -0.27 0.00 0.00 -0.05 0.00 0.00 27.48 27.52 2hfd h GLN 12 CO -0.00 0.78 -0.08 0.00 -0.95 0.00 0.00 178.83 178.58 2hfd h ARG 13 N 1.22 -0.23 -0.91 1.46 3.08 -0.70 -2.11 114.38 116.19 2hfd h ARG 13 Ca 0.42 0.02 0.11 0.00 0.07 0.00 0.00 59.98 60.59 2hfd h ARG 13 Cb 0.10 0.05 -0.07 0.00 0.08 0.00 0.00 29.97 30.13 2hfd h ARG 13 CO -0.15 0.09 0.59 0.52 -1.07 0.00 0.00 179.97 179.94 2hfd h MET 14 N -0.55 0.84 -0.44 0.04 2.86 -0.58 -0.81 114.93 116.28 2hfd h MET 14 Ca -0.02 -0.05 -0.07 0.00 -2.06 0.00 0.00 59.70 57.50 2hfd h MET 14 Cb 0.42 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.87 2hfd h MET 14 CO 0.04 0.56 -0.02 1.25 1.06 0.00 0.00 176.91 179.80 2hfd h LEU 15 N 0.87 0.70 -2.12 1.22 7.12 -0.24 -2.63 115.31 120.22 2hfd h LEU 15 Ca 0.44 -0.17 -0.01 0.00 0.13 0.00 0.00 57.88 58.27 2hfd h LEU 15 Cb 0.49 -0.18 -0.00 0.00 -0.53 0.00 0.00 40.66 40.43 2hfd h LEU 15 CO -0.20 0.78 -0.07 0.00 -0.13 0.00 0.00 178.44 178.82 2hfd h ALA 16 N 1.30 1.25 0.00 1.25 0.00 -0.44 0.34 119.26 122.96 2hfd h ALA 16 Ca 0.13 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2hfd h ALA 16 Cb 0.45 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2hfd h ALA 16 CO 0.02 0.09 0.00 0.54 0.00 0.00 0.00 179.25 179.90 2hfd n ARG 17 N -3.53 0.15 -0.79 0.00 5.12 -0.99 -4.87 116.66 111.76 2hfd n ARG 17 Ca -0.02 0.13 0.00 0.00 -1.93 0.00 0.00 57.85 56.03 2hfd n ARG 17 Cb 0.19 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 29.99 2hfd n ARG 17 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2hfd n GLY 18 N 0.45 0.80 3.80 -0.13 0.00 0.11 -5.05 105.19 105.16 2hfd n GLY 18 Ca 0.07 -0.59 -0.38 0.00 0.00 0.00 0.00 46.02 45.12 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 3.79 -0.33 1.61 0.51 -1.24 -5.02 118.94 116.26 2hfd s TRP 19 Ca 0.00 1.51 -0.25 0.00 -2.12 0.00 0.00 56.10 55.23 2hfd s TRP 19 Cb 0.00 -2.69 0.01 0.00 -0.81 0.00 0.00 33.47 29.98 2hfd s TRP 19 CO 0.00 0.44 0.88 0.99 -0.51 0.00 0.00 176.95 178.75 2hfd s THR 20 N -1.31 4.68 0.05 2.01 2.01 -0.96 -4.73 115.64 117.39 2hfd s THR 20 Ca 0.38 1.28 -0.31 0.00 0.31 0.00 0.00 61.69 63.36 2hfd s THR 20 Cb -0.20 -4.26 -0.05 0.00 0.01 0.00 0.00 72.50 68.00 2hfd s THR 20 CO 0.23 -0.38 1.19 -2.16 -0.69 0.00 0.00 174.62 172.81 2hfd s PRO 21 N 3.24 4.43 0.01 4.92 0.04 -1.26 -1.16 135.00 145.23 2hfd s PRO 21 Ca 0.36 1.75 0.01 0.00 0.04 0.00 0.00 61.00 63.17 2hfd s PRO 21 Cb -0.13 -3.37 -0.01 0.00 0.04 0.00 0.00 34.50 31.03 2hfd s PRO 21 CO 0.15 -0.27 -0.03 0.54 0.04 0.00 0.00 177.00 177.43 2hfd s VAL 22 N 1.16 0.21 0.42 -0.36 0.11 0.28 -4.91 120.40 117.30 2hfd s VAL 22 Ca 0.58 -0.54 -0.02 0.00 -2.93 0.00 0.00 61.98 59.07 2hfd s VAL 22 Cb -0.29 -0.26 -0.03 0.00 -1.53 0.00 0.00 36.38 34.27 2hfd s VAL 22 CO 0.29 -0.22 0.67 -0.94 -3.33 0.00 0.00 175.10 171.57 2hfd s SER 23 N -0.80 6.20 0.44 3.54 1.04 -1.26 -4.24 113.70 118.62 2hfd s SER 23 Ca -0.07 0.62 0.10 0.00 0.48 0.00 0.00 55.95 57.08 2hfd s SER 23 Cb -0.06 -2.04 0.96 0.00 0.10 0.00 0.00 66.02 64.98 2hfd s SER 23 CO -0.00 -0.48 2.05 1.05 0.98 0.00 0.00 173.24 176.84 2hfd h GLU 24 N 0.47 0.31 -0.40 4.02 -0.00 -1.98 0.50 114.58 117.50 2hfd h GLU 24 Ca -0.48 -0.03 -0.09 0.00 -0.00 0.00 0.00 59.36 58.76 2hfd h GLU 24 Cb 1.22 -0.06 -0.02 0.00 -0.00 0.00 0.00 28.75 29.89 2hfd h GLU 24 CO 0.61 0.26 -0.11 0.77 -0.00 0.00 0.00 179.01 180.54 2hfd h SER 25 N 0.32 0.69 0.72 3.06 0.02 -1.97 -2.85 113.55 113.55 2hfd h SER 25 Ca 0.08 -0.20 -0.14 0.00 -0.84 0.00 0.00 61.79 60.69 2hfd h SER 25 Cb 0.06 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 2hfd h SER 25 CO -0.01 0.84 -1.38 -1.14 -1.14 0.00 0.00 176.83 174.00 2hfd n ARG 26 N -4.17 0.62 -0.36 3.45 3.00 -0.66 -3.84 116.66 114.70 2hfd n ARG 26 Ca 0.01 0.19 -0.00 0.00 -0.00 0.00 0.00 57.85 58.05 2hfd n ARG 26 Cb 0.36 -1.80 0.13 0.00 0.00 0.00 0.00 32.46 31.14 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 1.06 0.23 6.15 7.12 0.11 0.38 115.31 130.36 2hfd h LEU 27 Ca -0.14 -0.01 -0.01 0.00 0.13 0.00 0.00 57.88 57.85 2hfd h LEU 27 Cb 1.49 -0.24 0.00 0.00 -0.53 0.00 0.00 40.66 41.38 2hfd h LEU 27 CO 0.04 0.73 -0.11 -0.78 -0.13 0.00 0.00 178.44 178.18 2hfd h ASP 28 N 1.23 -0.26 0.08 1.25 3.58 -1.62 0.25 116.42 120.93 2hfd h ASP 28 Ca 0.38 -0.14 0.02 0.00 0.42 0.00 0.00 57.03 57.71 2hfd h ASP 28 Cb -0.01 0.07 -0.03 0.00 1.72 0.00 0.00 39.33 41.08 2hfd h ASP 28 CO -0.12 -0.01 -0.21 -0.78 -2.88 0.00 0.00 179.24 175.25 2hfd h ASP 29 N -0.52 -0.58 -0.86 2.28 1.82 -1.59 -0.62 116.42 116.35 2hfd h ASP 29 Ca -0.03 0.07 0.02 0.00 -0.39 0.00 0.00 57.03 56.70 2hfd h ASP 29 Cb 0.39 0.23 -0.05 0.00 0.68 0.00 0.00 39.33 40.57 2hfd h ASP 29 CO 0.05 -0.28 0.56 -0.25 -1.61 0.00 0.00 179.24 177.71 2hfd h TRP 30 N -0.37 1.06 0.00 0.28 7.01 -0.22 -0.51 115.95 123.19 2hfd h TRP 30 Ca 0.03 0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.02 2hfd h TRP 30 Cb 0.41 -0.36 -0.01 0.00 -2.10 0.00 0.00 29.16 27.11 2hfd h TRP 30 CO -0.21 0.64 -0.21 1.25 -2.79 0.00 0.00 178.44 177.13 2hfd h LEU 31 N 1.13 0.00 -0.61 0.65 5.85 -0.16 0.50 115.31 122.66 2hfd h LEU 31 Ca 0.33 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.95 2hfd h LEU 31 Cb -0.07 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 2hfd h LEU 31 CO -0.09 0.21 -0.01 0.74 -0.34 0.00 0.00 178.44 178.94 2hfd h THR 32 N 0.00 1.27 0.00 1.05 2.02 0.50 -3.10 112.91 114.65 2hfd h THR 32 Ca -0.00 -1.18 0.00 0.00 0.77 0.00 0.00 66.41 66.00 2hfd h THR 32 Cb 0.39 0.81 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 2hfd h THR 32 CO 0.03 0.43 -1.37 0.00 0.37 0.00 0.00 175.52 174.97 2hfd n GLN 33 N -4.17 0.29 -3.45 6.66 10.64 -0.96 -4.74 117.38 121.65 2hfd n GLN 33 Ca 0.03 -0.07 -0.28 0.00 -1.83 0.00 0.00 57.00 54.84 2hfd n GLN 33 Cb 0.36 -1.52 -0.12 0.00 -0.86 0.00 0.00 30.24 28.10 2hfd n GLN 33 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2hfd s ALA 34 N -3.23 0.81 -0.68 2.61 0.00 0.17 -5.01 121.76 116.44 2hfd s ALA 34 Ca 0.01 -1.77 0.24 0.00 0.00 0.00 0.00 51.96 50.44 2hfd s ALA 34 Cb 0.15 -1.63 0.36 0.00 0.00 0.00 0.00 23.12 22.00 2hfd s ALA 34 CO 0.87 -2.10 1.33 -0.35 0.00 0.00 0.00 175.76 175.51 2hfd n PRO 35 N 4.09 0.26 -3.84 0.00 -0.04 -1.17 -4.07 135.00 130.23 2hfd n PRO 35 Ca 0.12 0.07 -0.36 0.00 -0.04 0.00 0.00 63.50 63.29 2hfd n PRO 35 Cb 0.38 -1.66 -0.07 0.00 -0.04 0.00 0.00 33.50 32.10 2hfd n PRO 35 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2hfd s ASP 36 N -4.09 6.28 0.00 3.54 1.01 -1.26 -3.92 116.67 118.23 2hfd s ASP 36 Ca 0.07 0.36 0.00 0.00 0.71 0.00 0.00 52.55 53.69 2hfd s ASP 36 Cb 0.14 -2.06 0.00 0.00 1.01 0.00 0.00 42.92 42.00 2hfd s ASP 36 CO 0.72 0.32 0.00 0.61 0.21 0.00 0.00 175.17 177.02 2hfd n GLY 37 N 2.61 0.20 2.85 0.21 0.00 -0.97 -2.08 105.19 108.02 2hfd n GLY 37 Ca -0.18 -1.51 -0.15 0.00 0.00 0.00 0.00 46.02 44.18 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 -2.95 0.14 -0.11 1.61 -7.23 0.14 -0.73 120.40 111.26 2hfd s VAL 38 Ca 0.00 0.02 0.00 0.00 -1.81 0.00 0.00 61.98 60.19 2hfd s VAL 38 Cb 0.00 -0.18 -0.02 0.00 0.56 0.00 0.00 36.38 36.74 2hfd s VAL 38 CO 0.00 0.09 -0.12 -0.69 -0.31 0.00 0.00 175.10 174.06 2hfd s VAL 39 N 0.50 3.14 -0.25 1.32 1.01 -0.09 -0.94 120.40 125.09 2hfd s VAL 39 Ca -0.05 -0.64 -0.10 0.00 0.00 0.00 0.00 61.98 61.19 2hfd s VAL 39 Cb -0.07 -2.31 -0.05 0.00 0.00 0.00 0.00 36.38 33.96 2hfd s VAL 39 CO -0.01 0.54 0.15 -0.76 0.00 0.00 0.00 175.10 175.02 2hfd s LEU 40 N 0.11 3.94 -1.24 3.92 1.02 -0.23 -0.15 118.68 126.05 2hfd s LEU 40 Ca -0.06 0.00 -0.17 0.00 0.02 0.00 0.00 54.13 53.92 2hfd s LEU 40 Cb -0.15 -2.07 0.10 0.00 0.02 0.00 0.00 46.19 44.09 2hfd s LEU 40 CO 0.04 0.01 1.61 -0.22 0.02 0.00 0.00 176.35 177.81 2hfd s LEU 41 N 1.40 4.21 0.13 1.79 2.96 0.97 -4.01 118.68 126.12 2hfd s LEU 41 Ca 0.07 -2.52 -0.19 0.00 -0.22 0.00 0.00 54.13 51.27 2hfd s LEU 41 Cb -0.15 -2.52 -0.03 0.00 0.50 0.00 0.00 46.19 43.99 2hfd s LEU 41 CO 0.07 -1.07 1.76 0.77 -1.32 0.00 0.00 176.35 176.56 2hfd h SER 42 N 7.67 0.16 0.00 3.68 4.64 -1.83 -2.91 113.55 124.97 2hfd h SER 42 Ca 0.38 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 2hfd h SER 42 Cb 0.89 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 2hfd h SER 42 CO 1.38 0.13 0.00 -1.20 -0.87 0.00 0.00 176.83 176.27 2hfd n SER 43 N -4.99 0.00 -3.60 4.97 7.64 -1.26 -4.15 113.62 112.22 2hfd n SER 43 Ca -0.02 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.72 2hfd n SER 43 Cb 0.06 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.20 2hfd n SER 43 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 2hfd s ASP 44 N -4.00 -0.66 0.02 6.43 -4.77 -1.26 -4.20 116.67 108.22 2hfd s ASP 44 Ca 0.00 1.13 -0.26 0.00 -3.30 0.00 0.00 52.55 50.11 2hfd s ASP 44 Cb 0.00 1.09 -0.05 0.00 -1.09 0.00 0.00 42.92 42.88 2hfd s ASP 44 CO 0.00 -0.32 0.82 -2.16 0.70 0.00 0.00 175.17 174.21 2hfd s PRO 45 N -0.10 4.52 0.00 2.11 0.05 -1.26 -4.52 135.00 135.81 2hfd s PRO 45 Ca -0.02 1.14 0.00 0.00 0.05 0.00 0.00 61.00 62.17 2hfd s PRO 45 Cb -0.04 -3.40 0.00 0.00 0.05 0.00 0.00 34.50 31.11 2hfd s PRO 45 CO 0.02 0.15 0.00 1.17 0.05 0.00 0.00 177.00 178.39 2hfd n LYS 46 N 3.26 0.00 0.24 4.56 3.00 -1.26 -4.93 118.16 123.03 2hfd n LYS 46 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2hfd n LYS 46 Cb 0.50 -0.44 0.00 0.00 0.00 0.00 0.00 35.03 35.10 2hfd n LYS 46 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 2hfd n ARG 47 N -2.96 0.00 -0.76 1.64 0.63 -1.26 -5.18 116.66 108.78 2hfd n ARG 47 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2hfd n ARG 47 Cb 0.42 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.33 2hfd n ARG 47 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 2hfd n THR 48 N -3.47 -2.47 0.11 5.15 -1.04 -1.26 -3.93 114.28 107.37 2hfd n THR 48 Ca 0.00 0.99 0.01 0.00 -2.04 0.00 0.00 64.05 63.01 2hfd n THR 48 Cb 0.00 -1.44 0.06 0.00 -1.82 0.00 0.00 70.33 67.13 2hfd n THR 48 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 2hfd n PRO 49 N -1.34 0.03 -3.32 -2.82 -0.02 -1.26 -3.99 135.00 122.28 2hfd n PRO 49 Ca 0.00 0.27 -0.11 0.00 -2.02 0.00 0.00 63.50 61.64 2hfd n PRO 49 Cb 0.08 -1.50 -0.07 0.00 -0.02 0.00 0.00 33.50 32.00 2hfd n PRO 49 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2hfd s GLU 50 N -2.59 0.40 -0.01 -0.52 2.56 -1.26 -5.06 118.70 112.22 2hfd s GLU 50 Ca 0.02 0.07 -0.25 0.00 0.00 0.00 0.00 54.97 54.82 2hfd s GLU 50 Cb 0.02 -0.37 -0.18 0.00 2.00 0.00 0.00 34.13 35.59 2hfd s GLU 50 CO 0.04 -1.04 1.19 0.28 -0.56 0.00 0.00 175.26 175.17 2hfd h VAL 51 N 6.18 1.03 0.00 3.70 2.07 -1.69 -3.47 116.25 124.07 2hfd h VAL 51 Ca -0.09 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.51 2hfd h VAL 51 Cb 1.11 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 32.45 2hfd h VAL 51 CO 0.28 0.21 0.00 -0.24 0.02 0.00 0.00 177.57 177.84 2hfd n SER 52 N -4.97 0.00 -0.61 0.57 2.88 -1.26 -5.05 113.62 105.18 2hfd n SER 52 Ca -0.09 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.45 2hfd n SER 52 Cb 0.25 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.71 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 -0.52 -3.90 -3.37 -3.46 -0.08 -1.26 -4.81 116.55 99.14 2hfd n ASP 53 Ca 0.00 0.00 -0.17 0.00 -1.51 0.00 0.00 54.79 53.11 2hfd n ASP 53 Cb 0.00 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 43.38 2hfd n ASP 53 CO 0.00 0.00 0.00 0.20 0.12 0.00 0.00 177.20 177.52 2hfd s ASN 54 N -4.00 1.33 -0.66 1.67 -0.87 -1.26 -5.10 114.94 106.05 2hfd s ASN 54 Ca 0.00 -1.43 -0.26 0.00 -1.57 0.00 0.00 52.86 49.59 2hfd s ASN 54 Cb 0.00 0.52 -0.02 0.00 -0.02 0.00 0.00 41.25 41.72 2hfd s ASN 54 CO 0.00 -0.29 1.86 -2.84 -2.57 0.00 0.00 177.10 173.26 2hfd s PRO 55 N 1.61 2.63 -0.11 -0.60 0.02 -1.26 -4.70 135.00 132.59 2hfd s PRO 55 Ca 0.15 0.44 0.07 0.00 0.02 0.00 0.00 61.00 61.68 2hfd s PRO 55 Cb -0.15 -4.49 -0.11 0.00 0.02 0.00 0.00 34.50 29.76 2hfd s PRO 55 CO -0.09 -2.81 -0.01 0.28 -0.33 0.00 0.00 177.00 174.04 2hfd n VAL 56 N 7.29 0.71 0.31 3.83 0.31 -1.26 -4.60 118.33 124.92 2hfd n VAL 56 Ca 0.23 -0.39 0.17 0.00 -0.01 0.00 0.00 64.34 64.34 2hfd n VAL 56 Cb 0.51 -0.79 1.00 0.00 -0.91 0.00 0.00 33.84 33.65 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 -1.01 5.55 -0.00 -1.96 -2.12 114.93 115.40 2hfd h MET 57 Ca -0.28 0.00 0.13 0.00 -0.00 0.00 0.00 59.70 59.55 2hfd h MET 57 Cb 1.58 0.00 -0.09 0.00 -0.00 0.00 0.00 31.60 33.09 2hfd h MET 57 CO -0.00 0.00 0.63 0.82 -0.00 0.00 0.00 176.91 178.36 2hfd h ILE 58 N 0.00 0.88 -0.41 -0.10 1.08 -1.97 -2.17 117.51 114.81 2hfd h ILE 58 Ca -0.00 -0.33 -0.03 0.00 -0.39 0.00 0.00 64.86 64.11 2hfd h ILE 58 Cb 0.01 -0.16 -0.02 0.00 -3.07 0.00 0.00 36.82 33.58 2hfd h ILE 58 CO 0.00 0.17 0.14 1.23 -0.69 0.00 0.00 178.15 179.01 2hfd h GLY 59 N 0.95 0.68 1.54 5.37 0.00 -1.71 -2.62 103.07 107.28 2hfd h GLY 59 Ca 0.51 -0.39 -0.03 0.00 0.00 0.00 0.00 47.33 47.43 2hfd h GLY 59 CO -0.29 0.36 0.15 0.83 0.00 0.00 0.00 176.54 177.60 2hfd h GLU 60 N 0.52 0.60 0.39 4.80 5.08 -1.55 -1.40 114.58 123.01 2hfd h GLU 60 Ca 0.13 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 2hfd h GLU 60 Cb 0.23 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2hfd h GLU 60 CO -0.01 0.51 -0.19 1.25 -1.00 0.00 0.00 179.01 179.58 2hfd h LEU 61 N 0.60 -0.44 -1.85 1.33 5.85 -1.18 -3.04 115.31 116.57 2hfd h LEU 61 Ca 0.14 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 2hfd h LEU 61 Cb 0.15 0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.29 2hfd h LEU 61 CO -0.01 -0.14 -0.13 -0.07 -0.34 0.00 0.00 178.44 177.75 2hfd h LEU 62 N -0.76 0.00 -2.38 2.25 4.07 -1.30 -2.81 115.31 114.38 2hfd h LEU 62 Ca -0.05 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.91 2hfd h LEU 62 Cb 0.52 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.26 2hfd h LEU 62 CO 0.09 0.13 0.00 0.03 -1.08 0.00 0.00 178.44 177.61 2hfd h ARG 63 N 0.00 0.00 -0.01 1.13 2.47 -1.14 -0.99 114.38 115.84 2hfd h ARG 63 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2hfd h ARG 63 Cb 0.26 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.58 2hfd h ARG 63 CO 0.02 0.00 -0.02 -0.85 0.56 0.00 0.00 179.97 179.68 2hfd n GLU 64 N -3.07 1.39 -3.46 0.04 0.28 -1.06 -4.11 120.64 110.65 2hfd n GLU 64 Ca -0.02 -0.63 -0.27 0.00 -0.16 0.00 0.00 57.16 56.09 2hfd n GLU 64 Cb 0.16 -1.49 -0.08 0.00 1.43 0.00 0.00 31.44 31.46 2hfd n GLU 64 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 2hfd n PHE 65 N -0.26 2.98 1.56 -1.84 3.72 -0.38 -4.91 117.46 118.33 2hfd n PHE 65 Ca 0.20 -4.08 0.15 0.00 -0.05 0.00 0.00 57.45 53.66 2hfd n PHE 65 Cb 0.28 -0.52 0.69 0.00 -0.94 0.00 0.00 39.48 38.99 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 1.12 0.88 0.20 -1.08 -0.04 -1.26 -3.57 135.00 131.25 2hfd n PRO 66 Ca 0.27 -0.27 0.14 0.00 -0.04 0.00 0.00 63.50 63.61 2hfd n PRO 66 Cb 0.42 -1.49 0.46 0.00 -0.04 0.00 0.00 33.50 32.84 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 0.65 0.00 -4.24 3.54 3.58 -1.94 -3.42 116.42 114.59 2hfd h ASP 67 Ca 0.00 0.00 -0.69 0.00 0.42 0.00 0.00 57.03 56.76 2hfd h ASP 67 Cb 0.29 0.00 -0.27 0.00 1.72 0.00 0.00 39.33 41.07 2hfd h ASP 67 CO 0.00 0.00 -0.83 -0.31 -2.88 0.00 0.00 179.24 175.22 2hfd s TYR 68 N -3.37 2.53 -0.56 0.28 2.02 -1.23 -5.08 117.35 111.93 2hfd s TYR 68 Ca 0.05 -0.35 -0.24 0.00 -0.37 0.00 0.00 57.07 56.16 2hfd s TYR 68 Cb 0.09 -1.58 0.04 0.00 -0.40 0.00 0.00 41.96 40.11 2hfd s TYR 68 CO 0.55 0.04 0.95 0.95 -1.57 0.00 0.00 175.55 176.47 2hfd s THR 69 N -0.58 4.37 -0.46 -0.71 -4.23 -1.26 -5.00 115.64 107.76 2hfd s THR 69 Ca 0.08 0.24 -0.29 0.00 -1.18 0.00 0.00 61.69 60.55 2hfd s THR 69 Cb -0.11 -4.56 0.03 0.00 1.34 0.00 0.00 72.50 69.20 2hfd s THR 69 CO 0.00 -1.16 1.13 0.26 -0.54 0.00 0.00 174.62 174.31 2hfd s TRP 70 N 4.00 2.85 -0.25 3.99 0.52 -1.26 -4.40 118.94 124.39 2hfd s TRP 70 Ca 0.30 0.75 -0.27 0.00 0.02 0.00 0.00 56.10 56.90 2hfd s TRP 70 Cb -0.13 -4.37 0.00 0.00 -1.15 0.00 0.00 33.47 27.83 2hfd s TRP 70 CO 0.18 -1.23 0.94 -0.65 0.02 0.00 0.00 176.95 176.22 2hfd s GLN 71 N 4.38 4.19 -0.51 4.98 1.11 -0.88 -4.86 119.66 128.07 2hfd s GLN 71 Ca 0.48 1.12 -0.17 0.00 0.01 0.00 0.00 55.36 56.79 2hfd s GLN 71 Cb -0.08 -3.66 0.09 0.00 -1.01 0.00 0.00 33.01 28.36 2hfd s GLN 71 CO 0.30 -0.61 0.50 0.08 0.01 0.00 0.00 175.29 175.57 2hfd s VAL 72 N 3.07 5.11 -0.18 1.09 1.01 -1.26 0.23 120.40 129.48 2hfd s VAL 72 Ca 0.40 -1.06 -0.05 0.00 0.00 0.00 0.00 61.98 61.27 2hfd s VAL 72 Cb -0.15 -4.25 -0.03 0.00 0.00 0.00 0.00 36.38 31.95 2hfd s VAL 72 CO 0.08 -0.76 -0.01 0.00 0.00 0.00 0.00 175.10 174.41 2hfd s ALA 73 N 1.94 3.04 -0.02 5.51 0.00 -0.12 -2.26 121.76 129.85 2hfd s ALA 73 Ca 0.07 -0.90 0.07 0.00 0.00 0.00 0.00 51.96 51.19 2hfd s ALA 73 Cb -0.25 -1.69 -0.02 0.00 0.00 0.00 0.00 23.12 21.16 2hfd s ALA 73 CO 0.07 0.02 -0.23 0.96 0.00 0.00 0.00 175.76 176.58 2hfd s ILE 74 N 0.70 1.78 0.41 0.00 -4.36 -0.31 -1.06 121.20 118.36 2hfd s ILE 74 Ca -0.01 -0.96 0.07 0.00 -0.26 0.00 0.00 60.65 59.49 2hfd s ILE 74 Cb -0.14 -1.48 -0.04 0.00 1.25 0.00 0.00 42.46 42.04 2hfd s ILE 74 CO 0.02 0.50 0.24 0.00 0.24 0.00 0.00 174.94 175.94 2hfd s ALA 75 N -0.51 3.73 0.70 2.27 0.00 -1.26 -0.56 121.76 126.13 2hfd s ALA 75 Ca 0.08 -2.03 -0.07 0.00 0.00 0.00 0.00 51.96 49.93 2hfd s ALA 75 Cb -0.09 -0.59 0.05 0.00 0.00 0.00 0.00 23.12 22.50 2hfd s ALA 75 CO -0.01 -0.18 1.02 0.34 0.00 0.00 0.00 175.76 176.93 2hfd s ASP 76 N -3.97 4.95 0.15 0.00 2.15 -1.26 -4.67 116.67 114.02 2hfd s ASP 76 Ca 0.43 0.57 -0.24 0.00 0.43 0.00 0.00 52.55 53.74 2hfd s ASP 76 Cb 0.01 -1.28 0.01 0.00 -0.30 0.00 0.00 42.92 41.37 2hfd s ASP 76 CO 0.24 -1.52 1.61 0.25 -0.17 0.00 0.00 175.17 175.58 2hfd h LEU 77 N -0.58 -1.01 -0.50 -1.34 5.85 -1.97 0.39 115.31 116.14 2hfd h LEU 77 Ca -0.45 0.16 -0.16 0.00 0.84 0.00 0.00 57.88 58.28 2hfd h LEU 77 Cb 1.30 0.45 -0.02 0.00 0.37 0.00 0.00 40.66 42.76 2hfd h LEU 77 CO 0.61 -0.34 -0.75 -0.33 -0.34 0.00 0.00 178.44 177.30 2hfd h GLU 78 N -0.33 0.02 0.06 1.25 5.08 -1.95 -2.42 114.58 116.30 2hfd h GLU 78 Ca 0.13 -0.02 -0.21 0.00 -1.00 0.00 0.00 59.36 58.25 2hfd h GLU 78 Cb 0.53 0.01 0.02 0.00 0.50 0.00 0.00 28.75 29.81 2hfd h GLU 78 CO -0.43 0.76 -0.87 1.96 -1.00 0.00 0.00 179.01 179.43 2hfd h GLN 79 N 0.01 0.48 -0.12 2.33 4.20 -1.80 -2.97 115.11 117.25 2hfd h GLN 79 Ca -0.01 -0.60 -0.20 0.00 0.06 0.00 0.00 58.65 57.90 2hfd h GLN 79 Cb 1.32 0.19 0.00 0.00 0.30 0.00 0.00 27.48 29.29 2hfd h GLN 79 CO 0.10 1.23 -0.75 0.66 -0.67 0.00 0.00 178.83 179.41 2hfd h SER 80 N -0.00 0.69 -0.36 1.46 4.64 -0.30 -2.32 113.55 117.37 2hfd h SER 80 Ca -0.13 -0.45 0.07 0.00 -0.47 0.00 0.00 61.79 60.81 2hfd h SER 80 Cb 1.59 -0.20 -0.07 0.00 -0.31 0.00 0.00 62.40 63.41 2hfd h SER 80 CO 0.17 1.22 -0.07 -0.08 -0.87 0.00 0.00 176.83 177.20 2hfd h GLU 81 N 0.40 0.02 -0.10 4.77 4.22 -1.51 0.21 114.58 122.59 2hfd h GLU 81 Ca -0.04 -0.00 -0.10 0.00 0.08 0.00 0.00 59.36 59.30 2hfd h GLU 81 Cb 1.34 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.58 2hfd h GLU 81 CO 0.14 0.01 -0.39 0.00 -2.18 0.00 0.00 179.01 176.59 2hfd h ALA 82 N 1.35 1.17 0.13 2.92 0.00 -1.46 -0.61 119.26 122.76 2hfd h ALA 82 Ca 0.17 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2hfd h ALA 82 Cb 0.26 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2hfd h ALA 82 CO -0.36 0.56 -0.06 0.82 0.00 0.00 0.00 179.25 180.21 2hfd h ILE 83 N 0.18 1.04 -0.48 0.00 2.04 -0.73 -2.48 117.51 117.07 2hfd h ILE 83 Ca 0.02 -0.82 -0.01 0.00 1.00 0.00 0.00 64.86 65.05 2hfd h ILE 83 Cb 0.77 1.54 -0.02 0.00 -0.74 0.00 0.00 36.82 38.37 2hfd h ILE 83 CO 0.06 0.19 0.27 1.23 0.00 0.00 0.00 178.15 179.89 2hfd h GLY 84 N -0.57 0.71 0.84 5.37 0.00 -0.52 -1.63 103.07 107.28 2hfd h GLY 84 Ca -0.02 -0.32 0.05 0.00 0.00 0.00 0.00 47.33 47.04 2hfd h GLY 84 CO 0.03 0.31 0.64 -1.80 0.00 0.00 0.00 176.54 175.71 2hfd h ASP 85 N 0.63 1.03 0.55 0.19 3.58 -1.14 0.28 116.42 121.54 2hfd h ASP 85 Ca 0.17 -0.00 -0.13 0.00 0.42 0.00 0.00 57.03 57.48 2hfd h ASP 85 Cb 0.05 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 40.86 2hfd h ASP 85 CO -0.03 0.68 -0.61 -0.09 -2.88 0.00 0.00 179.24 176.31 2hfd h ARG 86 N 1.18 0.06 0.07 0.28 2.43 -1.04 -3.23 114.38 114.13 2hfd h ARG 86 Ca 0.41 -0.05 -0.28 0.00 -0.81 0.00 0.00 59.98 59.25 2hfd h ARG 86 Cb 0.10 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 2hfd h ARG 86 CO -0.14 0.66 -1.47 0.35 -1.51 0.00 0.00 179.97 177.85 2hfd h PHE 87 N 0.05 0.26 0.00 2.20 3.57 -0.33 -3.48 116.94 119.20 2hfd h PHE 87 Ca -0.01 -0.19 0.00 0.00 3.53 0.00 0.00 57.97 61.31 2hfd h PHE 87 Cb 1.09 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.82 2hfd h PHE 87 CO 0.01 1.23 0.00 0.41 -2.23 0.00 0.00 178.31 177.72 2hfd n GLY 88 N 1.58 1.73 3.45 2.40 0.00 0.65 -5.10 105.19 109.90 2hfd n GLY 88 Ca -0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.92 2.39 0.00 1.61 1.01 0.61 -5.01 120.40 119.10 2hfd s VAL 89 Ca 0.00 -2.31 0.00 0.00 0.00 0.00 0.00 61.98 59.67 2hfd s VAL 89 Cb 0.00 -2.24 0.00 0.00 0.00 0.00 0.00 36.38 34.14 2hfd s VAL 89 CO 0.00 -0.35 0.00 0.49 0.00 0.00 0.00 175.10 175.24 2hfd n PHE 90 N -0.40 0.00 -2.71 5.22 3.72 -1.26 -3.47 117.46 118.56 2hfd n PHE 90 Ca -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 2hfd n PHE 90 Cb 0.59 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.13 2hfd n PHE 90 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2hfd n ARG 91 N -0.67 0.00 -0.27 -1.08 1.74 -1.26 -4.71 116.66 110.41 2hfd n ARG 91 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2hfd n ARG 91 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 2hfd n ARG 91 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 2hfd n PHE 92 N 0.00 -0.74 -0.79 -1.55 3.72 -1.26 -4.65 117.46 112.18 2hfd n PHE 92 Ca 0.00 0.40 -0.41 0.00 -0.05 0.00 0.00 57.45 57.39 2hfd n PHE 92 Cb 0.00 -1.11 -0.08 0.00 -0.94 0.00 0.00 39.48 37.35 2hfd n PHE 92 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 2hfd n PRO 93 N -1.56 0.79 -2.84 -1.08 -0.02 -1.11 -4.60 135.00 124.58 2hfd n PRO 93 Ca 0.00 -1.39 -0.41 0.00 -2.02 0.00 0.00 63.50 59.68 2hfd n PRO 93 Cb 0.07 -2.67 -0.04 0.00 -0.02 0.00 0.00 33.50 30.84 2hfd n PRO 93 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2hfd s ALA 94 N 5.83 3.25 -0.38 3.55 0.00 -1.12 -4.76 121.76 128.13 2hfd s ALA 94 Ca 0.59 0.36 -0.20 0.00 0.00 0.00 0.00 51.96 52.72 2hfd s ALA 94 Cb 0.14 -3.20 0.01 0.00 0.00 0.00 0.00 23.12 20.07 2hfd s ALA 94 CO 0.21 -0.21 0.60 0.99 0.00 0.00 0.00 175.76 177.34 2hfd s THR 95 N 1.01 4.91 -0.37 0.00 2.01 -0.90 -0.02 115.64 122.28 2hfd s THR 95 Ca 0.46 0.31 -0.18 0.00 0.31 0.00 0.00 61.69 62.59 2hfd s THR 95 Cb -0.19 -4.09 0.00 0.00 0.01 0.00 0.00 72.50 68.23 2hfd s THR 95 CO 0.23 -0.39 0.51 -0.76 -0.69 0.00 0.00 174.62 173.53 2hfd s LEU 96 N 2.63 4.42 -0.20 4.42 1.43 0.78 -0.41 118.68 131.76 2hfd s LEU 96 Ca 0.22 -0.14 -0.12 0.00 -1.03 0.00 0.00 54.13 53.05 2hfd s LEU 96 Cb -0.15 -2.57 -0.05 0.00 0.03 0.00 0.00 46.19 43.46 2hfd s LEU 96 CO 0.16 -0.52 0.24 0.54 0.23 0.00 0.00 176.35 177.00 2hfd s VAL 97 N 2.39 5.32 -0.07 -1.59 0.11 -0.78 -0.91 120.40 124.88 2hfd s VAL 97 Ca 0.18 0.39 0.05 0.00 -2.93 0.00 0.00 61.98 59.67 2hfd s VAL 97 Cb -0.16 -3.58 -0.01 0.00 -1.53 0.00 0.00 36.38 31.11 2hfd s VAL 97 CO 0.14 0.36 -0.23 -0.36 -3.33 0.00 0.00 175.10 171.68 2hfd s PHE 98 N 0.82 2.52 -0.10 1.54 0.08 0.09 -0.76 117.98 122.17 2hfd s PHE 98 Ca 0.12 -0.73 -0.08 0.00 0.12 0.00 0.00 56.93 56.37 2hfd s PHE 98 Cb -0.13 -1.64 0.03 0.00 -0.57 0.00 0.00 43.02 40.71 2hfd s PHE 98 CO 0.04 -0.22 0.26 0.99 -0.10 0.00 0.00 175.22 176.19 2hfd s THR 99 N -0.07 -0.01 -0.78 0.64 2.01 -0.03 -2.30 115.64 115.10 2hfd s THR 99 Ca -0.06 0.04 0.00 0.00 0.31 0.00 0.00 61.69 61.98 2hfd s THR 99 Cb -0.14 -0.37 0.00 0.00 0.01 0.00 0.00 72.50 71.99 2hfd s THR 99 CO 0.05 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.60 2hfd n GLY 100 N 3.27 0.92 3.00 4.40 0.00 -1.26 -2.04 105.19 113.48 2hfd n GLY 100 Ca -0.16 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.65 1.07 3.59 -0.02 0.00 -1.25 -5.02 105.19 101.90 2hfd n GLY 101 Ca -0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.03 4.46 0.09 1.61 0.02 -0.86 -4.96 114.94 112.26 2hfd s ASN 102 Ca 0.00 -0.35 -0.31 0.00 -1.02 0.00 0.00 52.86 51.18 2hfd s ASN 102 Cb 0.00 -0.88 -0.07 0.00 0.02 0.00 0.00 41.25 40.31 2hfd s ASN 102 CO 0.00 0.19 1.36 -0.47 0.02 0.00 0.00 177.10 178.20 2hfd s TYR 103 N -1.20 3.23 -0.25 2.20 5.04 -1.26 -0.85 117.35 124.26 2hfd s TYR 103 Ca 0.21 0.99 -0.09 0.00 -2.44 0.00 0.00 57.07 55.74 2hfd s TYR 103 Cb -0.11 -3.64 -0.12 0.00 0.35 0.00 0.00 41.96 38.44 2hfd s TYR 103 CO 0.13 -2.23 -0.29 0.54 -1.34 0.00 0.00 175.55 172.36 2hfd n ARG 104 N 4.10 0.55 -3.45 4.97 5.12 0.06 -4.92 116.66 123.09 2hfd n ARG 104 Ca 0.11 0.21 0.00 0.00 -1.93 0.00 0.00 57.85 56.24 2hfd n ARG 104 Cb 0.43 -1.41 0.00 0.00 -1.16 0.00 0.00 32.46 30.32 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 1.68 -0.82 3.20 -0.13 0.00 -1.23 -4.91 105.19 102.98 2hfd n GLY 105 Ca -0.47 -0.89 -0.29 0.00 0.00 0.00 0.00 46.02 44.36 2hfd n GLY 105 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2hfd s VAL 106 N -3.00 1.78 -0.24 1.61 1.01 -1.26 -1.87 120.40 118.44 2hfd s VAL 106 Ca 0.00 -0.90 -0.10 0.00 0.00 0.00 0.00 61.98 60.98 2hfd s VAL 106 Cb 0.00 -1.53 -0.05 0.00 0.00 0.00 0.00 36.38 34.81 2hfd s VAL 106 CO 0.00 0.50 0.14 -0.76 0.00 0.00 0.00 175.10 174.98 2hfd s LEU 107 N 0.02 3.96 -0.38 3.92 1.02 0.45 -4.91 118.68 122.76 2hfd s LEU 107 Ca -0.06 0.03 0.01 0.00 0.02 0.00 0.00 54.13 54.12 2hfd s LEU 107 Cb -0.14 -2.07 0.14 0.00 0.02 0.00 0.00 46.19 44.14 2hfd s LEU 107 CO 0.04 0.03 0.22 0.21 0.02 0.00 0.00 176.35 176.87 2hfd s ASN 108 N 1.24 3.26 0.00 2.29 3.84 -1.26 -2.12 114.94 122.18 2hfd s ASN 108 Ca 0.07 -2.33 0.00 0.00 0.21 0.00 0.00 52.86 50.80 2hfd s ASN 108 Cb -0.14 -0.65 0.00 0.00 -0.55 0.00 0.00 41.25 39.90 2hfd s ASN 108 CO 0.06 -0.30 0.00 0.61 -2.79 0.00 0.00 177.10 174.68 2hfd n GLY 109 N 3.88 1.67 1.16 1.21 0.00 -1.26 -5.10 105.19 106.75 2hfd n GLY 109 Ca 0.10 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.22 0.34 0.03 -0.61 2.08 -1.26 -4.94 119.36 114.78 2hfd n ILE 110 Ca 0.00 0.11 -0.11 0.00 0.56 0.00 0.00 62.75 63.31 2hfd n ILE 110 Cb 0.00 -1.37 -0.08 0.00 -0.75 0.00 0.00 39.64 37.43 2hfd n ILE 110 CO 0.00 0.00 0.00 0.45 0.56 0.00 0.00 176.55 177.56 2hfd h HIS 111 N 0.00 -0.16 -2.73 1.39 3.86 -1.99 -3.43 115.15 112.08 2hfd h HIS 111 Ca 0.00 -0.00 -0.55 0.00 -1.16 0.00 0.00 60.37 58.66 2hfd h HIS 111 Cb 0.57 0.05 -0.01 0.00 1.06 0.00 0.00 27.41 29.09 2hfd h HIS 111 CO 0.00 0.32 0.99 -2.14 0.86 0.00 0.00 177.93 177.96 2hfd s PRO 112 N -3.37 4.22 -0.14 2.45 0.02 -1.26 -4.90 135.00 132.01 2hfd s PRO 112 Ca -0.13 2.08 -0.17 0.00 0.02 0.00 0.00 61.00 62.80 2hfd s PRO 112 Cb 0.00 -3.81 -0.25 0.00 0.02 0.00 0.00 34.50 30.47 2hfd s PRO 112 CO 0.51 -0.75 0.44 2.35 -0.33 0.00 0.00 177.00 179.22 2hfd h TRP 113 N 8.78 0.30 -0.38 6.54 -0.00 -1.99 -2.57 115.95 126.64 2hfd h TRP 113 Ca -0.38 -0.22 -0.02 0.00 -0.00 0.00 0.00 58.89 58.27 2hfd h TRP 113 Cb 1.17 -0.01 -0.02 0.00 -0.00 0.00 0.00 29.16 30.30 2hfd h TRP 113 CO 0.83 1.55 0.15 0.00 -0.00 0.00 0.00 178.44 180.97 2hfd h ALA 114 N -0.15 1.56 -0.22 2.65 0.00 -1.99 -0.64 119.26 120.46 2hfd h ALA 114 Ca -0.32 -0.11 -0.19 0.00 0.00 0.00 0.00 54.91 54.29 2hfd h ALA 114 Cb 1.64 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.28 2hfd h ALA 114 CO -0.01 0.35 -0.61 1.49 0.00 0.00 0.00 179.25 180.47 2hfd h GLU 115 N 0.53 0.80 -0.53 0.00 4.57 -1.97 -0.21 114.58 117.77 2hfd h GLU 115 Ca 0.13 -0.57 -0.01 0.00 -1.18 0.00 0.00 59.36 57.74 2hfd h GLU 115 Cb 0.11 0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.77 2hfd h GLU 115 CO -0.01 1.19 0.30 1.25 -1.18 0.00 0.00 179.01 180.56 2hfd h LEU 116 N 0.55 0.65 -0.39 1.64 5.85 -0.95 -0.36 115.31 122.31 2hfd h LEU 116 Ca -0.01 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.60 2hfd h LEU 116 Cb 1.23 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.07 2hfd h LEU 116 CO 0.13 0.54 0.13 0.40 -0.34 0.00 0.00 178.44 179.30 2hfd h ILE 117 N 0.71 1.21 -0.02 4.05 2.04 -1.12 -1.53 117.51 122.85 2hfd h ILE 117 Ca 0.19 -0.68 0.03 0.00 1.00 0.00 0.00 64.86 65.39 2hfd h ILE 117 Cb 0.02 0.93 -0.06 0.00 -0.74 0.00 0.00 36.82 36.98 2hfd h ILE 117 CO -0.03 0.24 -0.50 -1.13 0.00 0.00 0.00 178.15 176.73 2hfd h ASN 118 N 0.48 -1.54 -0.30 1.72 -1.24 -0.49 0.23 115.58 114.43 2hfd h ASN 118 Ca 0.12 0.18 -0.04 0.00 0.71 0.00 0.00 56.30 57.27 2hfd h ASN 118 Cb 0.25 0.59 -0.01 0.00 0.73 0.00 0.00 38.32 39.88 2hfd h ASN 118 CO -0.00 -0.50 0.03 -0.07 -1.29 0.00 0.00 177.43 175.60 2hfd h LEU 119 N -0.63 0.49 -0.18 0.34 3.38 -1.10 0.92 115.31 118.53 2hfd h LEU 119 Ca 0.03 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.72 2hfd h LEU 119 Cb 0.70 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 2hfd h LEU 119 CO -0.36 0.64 0.10 -0.03 0.09 0.00 0.00 178.44 178.89 2hfd h MET 120 N 0.32 0.25 -0.13 1.13 4.05 -1.04 -0.29 114.93 119.22 2hfd h MET 120 Ca 0.09 -0.03 -0.12 0.00 -0.28 0.00 0.00 59.70 59.37 2hfd h MET 120 Cb 0.37 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.11 2hfd h MET 120 CO 0.01 0.24 -0.43 -0.09 0.23 0.00 0.00 176.91 176.86 2hfd h ARG 121 N 0.20 0.29 0.00 0.39 2.43 -0.53 -0.25 114.38 116.91 2hfd h ARG 121 Ca 0.06 -0.15 -0.05 0.00 -0.81 0.00 0.00 59.98 59.03 2hfd h ARG 121 Cb 0.06 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 2hfd h ARG 121 CO -0.01 0.67 -0.25 0.78 -1.51 0.00 0.00 179.97 179.65 2hfd h GLY 122 N 1.22 0.00 0.04 2.80 0.00 -0.32 0.28 103.07 107.09 2hfd h GLY 122 Ca 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.27 2hfd h GLY 122 CO 0.07 0.00 -0.44 1.41 0.00 0.00 0.00 176.54 177.58 2hfd h LEU 123 N 0.00 0.03 -0.46 3.11 3.38 -0.47 -3.28 115.31 117.62 2hfd h LEU 123 Ca -0.00 -0.85 -0.16 0.00 0.09 0.00 0.00 57.88 56.95 2hfd h LEU 123 Cb 0.47 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 2hfd h LEU 123 CO 0.03 1.18 -0.49 -0.37 0.09 0.00 0.00 178.44 178.88 2hfd h VAL 124 N -0.95 1.29 -3.19 1.22 -1.51 -1.05 -3.37 116.25 108.70 2hfd h VAL 124 Ca -0.12 -1.69 -0.75 0.00 -1.23 0.00 0.00 66.70 62.91 2hfd h VAL 124 Cb 1.14 1.61 -0.25 0.00 -2.13 0.00 0.00 31.29 31.66 2hfd h VAL 124 CO -0.05 0.54 -0.23 -0.70 -1.23 0.00 0.00 177.57 175.90 2hfd s GLU 125 N -4.16 2.93 -0.58 5.19 2.12 0.97 -5.01 118.70 120.16 2hfd s GLU 125 Ca -0.09 -1.78 -0.26 0.00 0.36 0.00 0.00 54.97 53.19 2hfd s GLU 125 Cb 0.11 -4.23 -0.05 0.00 0.26 0.00 0.00 34.13 30.22 2hfd s GLU 125 CO 0.86 -1.30 2.15 -2.14 -0.54 0.00 0.00 175.26 174.29 2hfd s PRO 126 N 1.43 2.32 -1.24 4.30 0.02 -1.26 -4.38 135.00 136.20 2hfd s PRO 126 Ca 0.05 0.93 -0.12 0.00 0.02 0.00 0.00 61.00 61.88 2hfd s PRO 126 Cb -0.28 -4.53 0.17 0.00 0.02 0.00 0.00 34.50 29.88 2hfd s PRO 126 CO 0.01 -3.10 1.58 1.04 -0.33 0.00 0.00 177.00 176.20 2hfd n GLN 127 N 9.08 3.45 -1.78 5.54 6.02 -1.24 -4.95 117.38 133.50 2hfd n GLN 127 Ca 0.30 -3.74 -0.36 0.00 -0.01 0.00 0.00 57.00 53.19 2hfd n GLN 127 Cb 0.53 -3.01 -0.05 0.00 1.02 0.00 0.00 30.24 28.73 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 5.13 1.84 -3.29 -1.09 7.27 -1.26 -4.73 117.38 121.24 2hfd n GLN 128 Ca 0.38 -2.35 -0.43 0.00 0.07 0.00 0.00 57.00 54.66 2hfd n GLN 128 Cb 0.41 -3.39 -0.01 0.00 2.41 0.00 0.00 30.24 29.66 2hfd n GLN 128 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 2hfd n GLU 129 N 7.70 3.65 -2.09 3.69 2.13 -1.26 -5.02 120.64 129.44 2hfd n GLU 129 Ca 0.48 -4.49 -0.37 0.00 0.66 0.00 0.00 57.16 53.43 2hfd n GLU 129 Cb 0.44 -2.52 -0.03 0.00 0.27 0.00 0.00 31.44 29.60 2hfd n GLU 129 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 2hfd s ARG 130 N -1.69 2.67 -0.46 5.31 3.00 -1.26 -4.80 118.95 121.72 2hfd s ARG 130 Ca 0.31 0.40 0.06 0.00 -1.00 0.00 0.00 55.73 55.50 2hfd s ARG 130 Cb -0.06 -4.47 0.18 0.00 0.00 0.00 0.00 34.95 30.60 2hfd s ARG 130 CO -0.04 -2.77 0.62 0.00 0.00 0.00 0.00 175.30 173.11 2hfd s ALA 131 N 8.89 -1.55 0.00 6.12 0.00 -1.26 -5.31 121.76 128.64 2hfd s ALA 131 Ca 0.65 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 52.02 2hfd s ALA 131 Cb -0.11 -2.51 0.00 0.00 0.00 0.00 0.00 23.12 20.50 2hfd s ALA 131 CO 0.17 -2.19 0.00 0.43 0.00 0.00 0.00 175.76 174.17