#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 0.00 -3.65 3.17 7.64 -1.26 -4.91 113.62 114.61 2hfd n SER 2 Ca 0.00 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.78 2hfd n SER 2 Cb 0.00 -1.10 -0.08 0.00 -1.01 0.00 0.00 64.21 62.02 2hfd n SER 2 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2hfd s ASN 3 N -2.58 -0.81 -0.45 6.43 4.22 -1.26 -5.13 114.94 115.36 2hfd s ASN 3 Ca 0.00 1.39 -0.12 0.00 -2.14 0.00 0.00 52.86 51.99 2hfd s ASN 3 Cb 0.00 1.31 0.08 0.00 1.28 0.00 0.00 41.25 43.92 2hfd s ASN 3 CO 0.00 -0.23 0.34 -1.81 -2.04 0.00 0.00 177.10 173.35 2hfd s ASP 4 N 1.18 5.88 0.28 3.54 1.01 -1.26 -4.75 116.67 122.55 2hfd s ASP 4 Ca -0.07 -1.50 0.00 0.00 0.71 0.00 0.00 52.55 51.70 2hfd s ASP 4 Cb -0.05 -2.08 0.00 0.00 1.01 0.00 0.00 42.92 41.80 2hfd s ASP 4 CO -0.12 -0.62 0.00 0.41 0.21 0.00 0.00 175.17 175.05 2hfd n THR 5 N 5.05 0.00 0.22 -1.27 -1.04 -1.26 -4.90 114.28 111.08 2hfd n THR 5 Ca -0.11 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.81 2hfd n THR 5 Cb 0.43 -0.05 -0.04 0.00 -1.82 0.00 0.00 70.33 68.85 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 -0.56 -0.14 -2.82 0.13 -1.99 -0.46 132.00 126.16 2hfd h PRO 6 Ca 0.00 0.04 -0.07 0.00 -0.87 0.00 0.00 66.00 65.10 2hfd h PRO 6 Cb 0.00 0.13 -0.01 0.00 0.13 0.00 0.00 31.00 31.24 2hfd h PRO 6 CO 0.00 -0.37 -0.24 0.27 -0.23 0.00 0.00 178.00 177.43 2hfd h PHE 7 N -0.75 0.27 0.12 1.56 -0.00 -1.96 -0.84 116.94 115.35 2hfd h PHE 7 Ca -0.06 -0.05 0.02 0.00 -0.00 0.00 0.00 57.97 57.88 2hfd h PHE 7 Cb 0.44 -0.07 -0.04 0.00 -0.00 0.00 0.00 35.95 36.29 2hfd h PHE 7 CO 0.07 0.48 -0.29 0.22 -0.00 0.00 0.00 178.31 178.79 2hfd h ASP 8 N 0.23 -0.82 -0.85 -0.68 3.58 -1.90 0.19 116.42 116.18 2hfd h ASP 8 Ca 0.04 0.09 -0.00 0.00 0.42 0.00 0.00 57.03 57.58 2hfd h ASP 8 Cb 0.55 0.31 -0.04 0.00 1.72 0.00 0.00 39.33 41.87 2hfd h ASP 8 CO 0.04 -0.38 0.51 0.00 -2.88 0.00 0.00 179.24 176.53 2hfd h ALA 9 N 0.20 1.08 -0.36 -0.78 0.00 -0.82 -1.23 119.26 117.34 2hfd h ALA 9 Ca 0.03 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.89 2hfd h ALA 9 Cb 0.53 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 2hfd h ALA 9 CO -0.17 0.54 0.13 -0.07 0.00 0.00 0.00 179.25 179.69 2hfd h LEU 10 N 1.16 0.15 -0.44 0.00 -0.00 -0.62 0.20 115.31 115.76 2hfd h LEU 10 Ca 0.30 0.04 -0.05 0.00 -0.00 0.00 0.00 57.88 58.17 2hfd h LEU 10 Cb -0.05 0.02 -0.02 0.00 -0.00 0.00 0.00 40.66 40.61 2hfd h LEU 10 CO -0.06 0.13 0.09 -0.25 -0.00 0.00 0.00 178.44 178.34 2hfd h TRP 11 N 0.29 0.76 -0.27 1.13 7.01 -0.28 -1.96 115.95 122.63 2hfd h TRP 11 Ca 0.16 -0.10 -0.00 0.00 2.11 0.00 0.00 58.89 61.06 2hfd h TRP 11 Cb 0.13 -0.21 -0.01 0.00 -2.10 0.00 0.00 29.16 26.97 2hfd h TRP 11 CO -0.14 0.71 0.15 1.96 -2.79 0.00 0.00 178.44 178.34 2hfd h GLN 12 N 0.58 0.36 0.40 2.65 1.08 -0.75 0.75 115.11 120.17 2hfd h GLN 12 Ca 0.13 -0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.29 2hfd h GLN 12 Cb 0.35 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.71 2hfd h GLN 12 CO 0.01 0.27 -0.19 0.00 -0.95 0.00 0.00 178.83 177.96 2hfd h ARG 13 N 0.37 -0.51 -0.33 1.46 2.47 -0.01 -1.79 114.38 116.04 2hfd h ARG 13 Ca 0.10 0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.84 2hfd h ARG 13 Cb 0.00 0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 28.42 2hfd h ARG 13 CO -0.02 -0.26 0.16 0.52 0.56 0.00 0.00 179.97 180.93 2hfd h MET 14 N -0.67 0.45 -0.55 0.04 2.86 -0.86 -1.29 114.93 114.90 2hfd h MET 14 Ca -0.05 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.47 2hfd h MET 14 Cb 0.49 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.03 2hfd h MET 14 CO 0.09 0.34 0.05 -0.07 1.06 0.00 0.00 176.91 178.38 2hfd h LEU 15 N 0.45 0.86 -1.58 1.22 -0.00 -0.76 -2.15 115.31 113.36 2hfd h LEU 15 Ca 0.12 -0.20 0.00 0.00 -0.00 0.00 0.00 57.88 57.79 2hfd h LEU 15 Cb 0.04 -0.23 0.00 0.00 -0.00 0.00 0.00 40.66 40.47 2hfd h LEU 15 CO -0.02 0.90 0.00 0.00 -0.00 0.00 0.00 178.44 179.32 2hfd h ALA 16 N 1.20 1.00 -0.00 1.53 0.00 -0.33 -1.84 119.26 120.81 2hfd h ALA 16 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2hfd h ALA 16 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2hfd h ALA 16 CO 0.02 0.00 -0.11 0.54 0.00 0.00 0.00 179.25 179.69 2hfd n ARG 17 N -2.96 0.70 -1.29 0.00 5.12 -0.82 -4.91 116.66 112.49 2hfd n ARG 17 Ca 0.00 -0.25 0.00 0.00 -1.93 0.00 0.00 57.85 55.68 2hfd n ARG 17 Cb 0.26 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 30.06 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 1.28 0.98 3.82 -0.13 0.00 -0.69 -5.06 105.19 105.38 2hfd n GLY 18 Ca 0.14 -0.54 -0.36 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.07 3.50 -0.16 1.61 0.51 -1.16 -5.05 118.94 116.12 2hfd s TRP 19 Ca 0.00 0.43 -0.23 0.00 -2.12 0.00 0.00 56.10 54.18 2hfd s TRP 19 Cb 0.00 -1.99 -0.02 0.00 -0.81 0.00 0.00 33.47 30.64 2hfd s TRP 19 CO 0.00 0.57 0.73 0.99 -0.51 0.00 0.00 176.95 178.74 2hfd s THR 20 N -0.59 4.96 0.35 2.01 2.01 -1.17 -4.59 115.64 118.63 2hfd s THR 20 Ca 0.12 1.43 -0.24 0.00 0.31 0.00 0.00 61.69 63.31 2hfd s THR 20 Cb -0.12 -4.05 -0.10 0.00 0.01 0.00 0.00 72.50 68.25 2hfd s THR 20 CO 0.02 0.10 0.94 -2.16 -0.69 0.00 0.00 174.62 172.82 2hfd s PRO 21 N 1.84 4.46 -0.06 4.92 0.04 -1.25 -0.68 135.00 144.26 2hfd s PRO 21 Ca 0.34 1.24 -0.12 0.00 0.04 0.00 0.00 61.00 62.50 2hfd s PRO 21 Cb -0.16 -2.60 0.02 0.00 0.04 0.00 0.00 34.50 31.80 2hfd s PRO 21 CO 0.12 0.18 0.30 0.54 0.04 0.00 0.00 177.00 178.19 2hfd s VAL 22 N -1.80 0.03 0.71 -0.36 0.11 -0.53 -4.90 120.40 113.66 2hfd s VAL 22 Ca 0.54 -0.27 -0.11 0.00 -2.93 0.00 0.00 61.98 59.21 2hfd s VAL 22 Cb -0.15 -0.52 0.02 0.00 -1.53 0.00 0.00 36.38 34.20 2hfd s VAL 22 CO 0.20 -0.15 1.07 -0.44 -3.33 0.00 0.00 175.10 172.45 2hfd s SER 23 N -0.63 5.18 0.09 3.54 0.01 -1.26 -3.59 113.70 117.03 2hfd s SER 23 Ca -0.07 1.69 -0.34 0.00 1.31 0.00 0.00 55.95 58.54 2hfd s SER 23 Cb -0.04 -2.50 -0.16 0.00 0.21 0.00 0.00 66.02 63.53 2hfd s SER 23 CO 0.02 -1.58 1.58 -0.08 0.41 0.00 0.00 173.24 173.59 2hfd h GLU 24 N -0.74 -0.88 0.00 12.44 4.22 -1.97 0.53 114.58 128.17 2hfd h GLU 24 Ca -0.44 0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.06 2hfd h GLU 24 Cb 1.22 0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.67 2hfd h GLU 24 CO 0.55 -0.59 0.00 0.43 -2.18 0.00 0.00 179.01 177.22 2hfd n SER 25 N -5.53 0.00 -0.00 1.04 7.64 -1.26 -1.60 113.62 113.91 2hfd n SER 25 Ca -0.11 0.23 0.07 0.00 1.01 0.00 0.00 58.87 60.07 2hfd n SER 25 Cb 0.43 -0.36 -0.11 0.00 -1.01 0.00 0.00 64.21 63.16 2hfd n SER 25 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2hfd n ARG 26 N -1.36 1.00 -0.26 1.43 3.00 -0.91 -4.45 116.66 115.11 2hfd n ARG 26 Ca 0.06 -0.09 -0.04 0.00 -0.00 0.00 0.00 57.85 57.78 2hfd n ARG 26 Cb 0.14 -1.30 0.07 0.00 0.00 0.00 0.00 32.46 31.37 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 0.77 -0.20 6.15 7.12 0.10 0.29 115.31 129.54 2hfd h LEU 27 Ca 0.00 -0.01 -0.02 0.00 0.13 0.00 0.00 57.88 57.99 2hfd h LEU 27 Cb 0.58 -0.18 -0.01 0.00 -0.53 0.00 0.00 40.66 40.52 2hfd h LEU 27 CO 0.00 0.54 0.06 -0.78 -0.13 0.00 0.00 178.44 178.14 2hfd h ASP 28 N 0.92 0.29 0.33 1.25 1.82 -1.78 0.35 116.42 119.59 2hfd h ASP 28 Ca 0.28 -0.20 -0.02 0.00 -0.39 0.00 0.00 57.03 56.70 2hfd h ASP 28 Cb -0.03 -0.08 0.00 0.00 0.68 0.00 0.00 39.33 39.90 2hfd h ASP 28 CO -0.09 0.42 -0.16 -0.78 -1.61 0.00 0.00 179.24 177.02 2hfd h ASP 29 N 0.15 -0.37 -0.75 2.28 3.58 -1.69 -2.46 116.42 117.15 2hfd h ASP 29 Ca 0.06 -0.10 0.10 0.00 0.42 0.00 0.00 57.03 57.51 2hfd h ASP 29 Cb 0.23 0.10 -0.08 0.00 1.72 0.00 0.00 39.33 41.30 2hfd h ASP 29 CO -0.00 -0.11 0.38 -0.25 -2.88 0.00 0.00 179.24 176.38 2hfd h TRP 30 N -0.64 0.68 -0.59 0.28 7.01 -0.42 -1.42 115.95 120.85 2hfd h TRP 30 Ca -0.05 0.03 0.01 0.00 2.11 0.00 0.00 58.89 60.99 2hfd h TRP 30 Cb 0.46 -0.19 -0.03 0.00 -2.10 0.00 0.00 29.16 27.29 2hfd h TRP 30 CO -0.01 0.24 0.39 1.25 -2.79 0.00 0.00 178.44 177.52 2hfd h LEU 31 N 0.63 0.67 -0.66 0.65 5.85 -0.78 -1.17 115.31 120.50 2hfd h LEU 31 Ca 0.37 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 59.01 2hfd h LEU 31 Cb 0.41 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 2hfd h LEU 31 CO -0.28 0.48 -0.32 0.00 -0.34 0.00 0.00 178.44 177.98 2hfd h THR 32 N 0.79 0.66 0.00 1.05 1.03 -0.94 -2.63 112.91 112.87 2hfd h THR 32 Ca 0.22 -1.52 0.00 0.00 -0.01 0.00 0.00 66.41 65.10 2hfd h THR 32 Cb -0.08 2.02 0.00 0.00 -1.07 0.00 0.00 68.15 69.02 2hfd h THR 32 CO -0.06 0.31 -0.03 1.56 -0.01 0.00 0.00 175.52 177.30 2hfd h GLN 33 N 0.00 0.00 -6.17 0.00 1.08 -0.68 -3.45 115.11 105.90 2hfd h GLN 33 Ca -0.00 0.00 -0.56 0.00 -1.45 0.00 0.00 58.65 56.64 2hfd h GLN 33 Cb 0.99 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.40 2hfd h GLN 33 CO 0.04 0.00 -0.35 0.00 -0.95 0.00 0.00 178.83 177.57 2hfd s ALA 34 N -3.15 3.85 0.09 3.87 0.00 -0.50 -5.01 121.76 120.91 2hfd s ALA 34 Ca 0.09 -0.77 0.25 0.00 0.00 0.00 0.00 51.96 51.54 2hfd s ALA 34 Cb 0.09 -2.00 0.95 0.00 0.00 0.00 0.00 23.12 22.16 2hfd s ALA 34 CO 0.63 0.55 1.83 -1.00 0.00 0.00 0.00 175.76 177.77 2hfd h PRO 35 N 2.34 0.00 0.00 0.00 0.13 -1.88 -3.46 132.00 129.14 2hfd h PRO 35 Ca -0.47 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.64 2hfd h PRO 35 Cb 1.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 2hfd h PRO 35 CO 0.70 0.18 0.02 -3.47 -0.23 0.00 0.00 178.00 175.20 2hfd n ASP 36 N -3.31 -0.33 0.00 1.44 2.03 -1.26 -3.82 116.55 111.30 2hfd n ASP 36 Ca 0.00 -1.28 0.00 0.00 0.52 0.00 0.00 54.79 54.04 2hfd n ASP 36 Cb 0.42 0.56 0.00 0.00 -0.72 0.00 0.00 41.12 41.38 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 -0.09 2.52 3.29 0.27 0.00 -1.26 -4.39 105.19 105.54 2hfd n GLY 37 Ca -0.01 0.17 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 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 1.83 -0.02 1.61 -7.23 0.62 -3.34 120.40 113.88 2hfd s VAL 38 Ca 0.00 -1.38 0.02 0.00 -1.81 0.00 0.00 61.98 58.82 2hfd s VAL 38 Cb 0.00 -1.61 0.00 0.00 0.56 0.00 0.00 36.38 35.33 2hfd s VAL 38 CO 0.00 0.16 -0.08 -0.69 -0.31 0.00 0.00 175.10 174.18 2hfd s VAL 39 N -0.91 0.68 -0.22 1.32 1.01 -0.08 -0.78 120.40 121.42 2hfd s VAL 39 Ca 0.09 -0.32 -0.13 0.00 0.00 0.00 0.00 61.98 61.62 2hfd s VAL 39 Cb -0.09 -0.60 -0.05 0.00 0.00 0.00 0.00 36.38 35.64 2hfd s VAL 39 CO 0.03 0.21 0.25 -0.76 0.00 0.00 0.00 175.10 174.83 2hfd s LEU 40 N 0.13 4.15 -0.20 3.92 1.02 -1.18 0.25 118.68 126.77 2hfd s LEU 40 Ca -0.02 0.30 -0.15 0.00 0.02 0.00 0.00 54.13 54.28 2hfd s LEU 40 Cb -0.07 -2.27 -0.04 0.00 0.02 0.00 0.00 46.19 43.83 2hfd s LEU 40 CO 0.00 0.03 0.38 -0.22 0.02 0.00 0.00 176.35 176.56 2hfd s LEU 41 N 1.04 4.16 -0.25 1.79 1.98 0.51 -4.28 118.68 123.62 2hfd s LEU 41 Ca 0.12 0.48 -0.02 0.00 -2.89 0.00 0.00 54.13 51.83 2hfd s LEU 41 Cb -0.14 -2.48 0.12 0.00 0.66 0.00 0.00 46.19 44.35 2hfd s LEU 41 CO 0.05 -0.06 0.29 -0.55 -1.89 0.00 0.00 176.35 174.19 2hfd s SER 42 N 1.02 1.25 -0.34 3.68 0.15 -1.26 -2.36 113.70 115.84 2hfd s SER 42 Ca 0.18 -0.34 0.00 0.00 0.70 0.00 0.00 55.95 56.49 2hfd s SER 42 Cb -0.15 0.60 0.14 0.00 -1.71 0.00 0.00 66.02 64.90 2hfd s SER 42 CO 0.08 -0.35 0.26 -0.44 1.20 0.00 0.00 173.24 173.98 2hfd s SER 43 N 2.39 2.38 -0.75 5.45 0.01 -1.26 -4.70 113.70 117.22 2hfd s SER 43 Ca 0.09 -1.69 -0.06 0.00 1.31 0.00 0.00 55.95 55.60 2hfd s SER 43 Cb -0.15 -0.00 0.01 0.00 0.21 0.00 0.00 66.02 66.09 2hfd s SER 43 CO -0.21 -0.33 0.63 0.47 0.41 0.00 0.00 173.24 174.21 2hfd n ASP 44 N 4.45 -5.59 -4.73 2.44 8.00 -1.26 -4.79 116.55 115.06 2hfd n ASP 44 Ca 0.07 -0.64 -0.41 0.00 0.71 0.00 0.00 54.79 54.51 2hfd n ASP 44 Cb 0.41 -2.47 -0.03 0.00 -0.02 0.00 0.00 41.12 39.01 2hfd n ASP 44 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 2hfd s PRO 45 N -4.18 4.36 -0.01 -0.24 0.02 -1.26 -4.95 135.00 128.74 2hfd s PRO 45 Ca 0.06 2.08 -0.05 0.00 0.02 0.00 0.00 61.00 63.11 2hfd s PRO 45 Cb -0.01 -3.20 -0.02 0.00 0.02 0.00 0.00 34.50 31.30 2hfd s PRO 45 CO 0.86 -0.31 -0.10 1.17 -0.33 0.00 0.00 177.00 178.30 2hfd n LYS 46 N 2.89 0.14 0.23 5.54 4.81 -1.26 -4.68 118.16 125.84 2hfd n LYS 46 Ca 0.07 0.06 0.10 0.00 -0.87 0.00 0.00 58.31 57.67 2hfd n LYS 46 Cb 0.42 -0.65 0.55 0.00 0.02 0.00 0.00 35.03 35.37 2hfd n LYS 46 CO 0.00 0.00 0.00 -0.09 1.17 0.00 0.00 177.40 178.48 2hfd h ARG 47 N -0.27 0.00 -6.31 1.64 2.43 -2.01 -3.43 114.38 106.42 2hfd h ARG 47 Ca 0.00 0.00 -0.60 0.00 -0.81 0.00 0.00 59.98 58.57 2hfd h ARG 47 Cb 0.27 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 29.84 2hfd h ARG 47 CO 0.00 0.21 1.09 2.41 -1.51 0.00 0.00 179.97 182.17 2hfd n THR 48 N -3.55 0.54 -0.31 0.20 -1.04 -1.26 -4.87 114.28 103.98 2hfd n THR 48 Ca -0.01 -0.10 0.01 0.00 -2.04 0.00 0.00 64.05 61.91 2hfd n THR 48 Cb 0.36 -1.90 0.14 0.00 -1.82 0.00 0.00 70.33 67.11 2hfd n THR 48 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 2hfd h PRO 49 N 9.04 0.96 -0.70 -2.82 0.11 -1.97 -3.43 132.00 133.20 2hfd h PRO 49 Ca -0.48 -0.06 0.20 0.00 0.11 0.00 0.00 66.00 65.77 2hfd h PRO 49 Cb 1.27 -0.22 -0.24 0.00 0.11 0.00 0.00 31.00 31.91 2hfd h PRO 49 CO 0.94 0.64 0.29 -1.83 -0.21 0.00 0.00 178.00 177.82 2hfd s GLU 50 N -6.06 0.22 0.21 1.05 -1.05 -1.26 -5.04 118.70 106.76 2hfd s GLU 50 Ca -0.13 0.52 0.17 0.00 -0.15 0.00 0.00 54.97 55.39 2hfd s GLU 50 Cb 0.18 0.31 0.01 0.00 -0.44 0.00 0.00 34.13 34.20 2hfd s GLU 50 CO 0.79 -0.10 1.19 0.28 0.95 0.00 0.00 175.26 178.38 2hfd h VAL 51 N 5.37 0.53 0.00 1.83 2.07 -1.97 -3.35 116.25 120.73 2hfd h VAL 51 Ca -0.15 -1.85 0.00 0.00 0.82 0.00 0.00 66.70 65.52 2hfd h VAL 51 Cb 1.13 2.12 0.00 0.00 -1.52 0.00 0.00 31.29 33.02 2hfd h VAL 51 CO 0.05 0.30 0.00 -0.24 0.02 0.00 0.00 177.57 177.71 2hfd n SER 52 N -3.02 0.00 -2.05 0.57 2.88 -1.26 -4.73 113.62 106.00 2hfd n SER 52 Ca -0.02 -0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 2hfd n SER 52 Cb 0.72 -0.20 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 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 -1.20 0.00 -2.84 -3.46 -0.08 -1.26 -4.80 116.55 102.91 2hfd n ASP 53 Ca 0.07 -0.85 -0.02 0.00 -1.51 0.00 0.00 54.79 52.49 2hfd n ASP 53 Cb 0.09 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.55 2hfd n ASP 53 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 2hfd n ASN 54 N -2.54 -7.22 -0.03 1.67 5.15 -1.26 -5.00 115.26 106.02 2hfd n ASN 54 Ca 0.00 0.09 -0.21 0.00 -0.60 0.00 0.00 54.58 53.86 2hfd n ASN 54 Cb 0.00 -4.87 -0.13 0.00 -0.53 0.00 0.00 39.78 34.24 2hfd n ASN 54 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2hfd n PRO 55 N -1.31 0.73 0.00 1.20 -0.04 -1.26 -4.84 135.00 129.48 2hfd n PRO 55 Ca 0.03 0.24 0.00 0.00 -0.04 0.00 0.00 63.50 63.73 2hfd n PRO 55 Cb 0.48 -1.66 0.00 0.00 -0.04 0.00 0.00 33.50 32.27 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 -3.45 0.00 0.06 0.52 0.31 -1.26 -4.86 118.33 109.64 2hfd n VAL 56 Ca -0.36 0.00 0.12 0.00 -0.01 0.00 0.00 64.34 64.09 2hfd n VAL 56 Cb 1.03 -0.49 0.59 0.00 -0.91 0.00 0.00 33.84 34.05 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 0.18 -0.59 5.55 -0.00 -2.00 0.76 114.93 118.84 2hfd h MET 57 Ca 0.00 -0.01 -0.08 0.00 -0.00 0.00 0.00 59.70 59.61 2hfd h MET 57 Cb 0.59 -0.04 -0.02 0.00 -0.00 0.00 0.00 31.60 32.12 2hfd h MET 57 CO 0.00 0.12 0.05 0.82 -0.00 0.00 0.00 176.91 177.90 2hfd h ILE 58 N 0.19 1.26 -0.78 -0.10 1.08 -1.91 -1.03 117.51 116.22 2hfd h ILE 58 Ca 0.17 -1.05 -0.02 0.00 -0.39 0.00 0.00 64.86 63.57 2hfd h ILE 58 Cb 0.42 0.75 -0.04 0.00 -3.07 0.00 0.00 36.82 34.89 2hfd h ILE 58 CO -0.03 0.38 0.39 1.23 -0.69 0.00 0.00 178.15 179.44 2hfd h GLY 59 N 1.01 1.18 2.00 5.37 0.00 -1.19 -1.01 103.07 110.43 2hfd h GLY 59 Ca 0.18 -0.57 -0.12 0.00 0.00 0.00 0.00 47.33 46.82 2hfd h GLY 59 CO 0.02 0.54 -0.55 0.83 0.00 0.00 0.00 176.54 177.37 2hfd h GLU 60 N 1.08 0.00 -0.25 4.80 4.39 -1.41 -3.06 114.58 120.13 2hfd h GLU 60 Ca 0.27 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.86 2hfd h GLU 60 Cb 0.08 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 2hfd h GLU 60 CO -0.04 0.55 -0.31 1.25 -1.16 0.00 0.00 179.01 179.31 2hfd h LEU 61 N 0.00 0.52 -2.20 1.33 5.85 -0.22 -2.31 115.31 118.28 2hfd h LEU 61 Ca -0.01 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.51 2hfd h LEU 61 Cb 1.07 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.95 2hfd h LEU 61 CO 0.07 0.81 -0.03 -0.07 -0.34 0.00 0.00 178.44 178.88 2hfd h LEU 62 N 0.44 0.00 0.00 2.25 4.07 -1.12 -2.71 115.31 118.24 2hfd h LEU 62 Ca 0.05 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.01 2hfd h LEU 62 Cb 0.76 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.50 2hfd h LEU 62 CO 0.06 0.03 0.00 0.54 -1.08 0.00 0.00 178.44 177.99 2hfd n ARG 63 N -4.04 0.03 0.12 1.13 1.74 -0.87 -1.72 116.66 113.05 2hfd n ARG 63 Ca -0.03 0.32 0.10 0.00 -0.77 0.00 0.00 57.85 57.47 2hfd n ARG 63 Cb 0.12 -1.50 0.58 0.00 -1.02 0.00 0.00 32.46 30.64 2hfd n ARG 63 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2hfd h GLU 64 N 0.00 0.17 -2.96 5.56 4.39 -1.66 -3.32 114.58 116.77 2hfd h GLU 64 Ca 0.00 -0.01 -0.61 0.00 0.34 0.00 0.00 59.36 59.08 2hfd h GLU 64 Cb 0.05 -0.04 -0.40 0.00 -0.10 0.00 0.00 28.75 28.26 2hfd h GLU 64 CO 0.00 0.11 -0.74 -0.06 -1.16 0.00 0.00 179.01 177.16 2hfd s PHE 65 N -5.20 2.06 -0.19 4.33 0.08 -0.70 -4.94 117.98 113.42 2hfd s PHE 65 Ca -0.06 -2.50 0.28 0.00 0.12 0.00 0.00 56.93 54.77 2hfd s PHE 65 Cb 0.18 -1.90 0.81 0.00 -0.57 0.00 0.00 43.02 41.54 2hfd s PHE 65 CO 0.70 -0.77 1.78 -1.35 -0.10 0.00 0.00 175.22 175.49 2hfd h PRO 66 N 6.56 0.00 0.00 0.24 0.11 -1.77 -3.05 132.00 134.09 2hfd h PRO 66 Ca 0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.13 2hfd h PRO 66 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 2hfd h PRO 66 CO 0.50 0.00 -0.34 -3.47 -0.21 0.00 0.00 178.00 174.48 2hfd n ASP 67 N -3.10 0.44 -4.09 -2.05 2.03 -1.26 -4.72 116.55 103.81 2hfd n ASP 67 Ca 0.02 0.13 -0.32 0.00 0.52 0.00 0.00 54.79 55.14 2hfd n ASP 67 Cb 0.43 -0.09 -0.16 0.00 -0.72 0.00 0.00 41.12 40.58 2hfd n ASP 67 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 2hfd s TYR 68 N -3.05 2.95 0.55 -0.67 5.04 -1.15 -5.11 117.35 115.91 2hfd s TYR 68 Ca 0.11 -1.93 -0.14 0.00 -2.44 0.00 0.00 57.07 52.67 2hfd s TYR 68 Cb 0.16 -1.90 -0.06 0.00 0.35 0.00 0.00 41.96 40.52 2hfd s TYR 68 CO 0.65 -0.83 0.99 -0.08 -1.34 0.00 0.00 175.55 174.93 2hfd s THR 69 N 1.22 4.63 -0.12 4.34 -1.32 -1.26 -4.81 115.64 118.32 2hfd s THR 69 Ca -0.01 1.01 0.02 0.00 -1.21 0.00 0.00 61.69 61.49 2hfd s THR 69 Cb -0.16 -3.79 0.02 0.00 -1.51 0.00 0.00 72.50 67.06 2hfd s THR 69 CO -0.09 -0.88 -0.16 0.26 -2.21 0.00 0.00 174.62 171.55 2hfd s TRP 70 N -2.84 2.05 -0.67 9.09 0.52 -1.26 -4.79 118.94 121.04 2hfd s TRP 70 Ca 0.56 -1.00 -0.20 0.00 0.02 0.00 0.00 56.10 55.48 2hfd s TRP 70 Cb -0.10 -1.48 0.10 0.00 -1.15 0.00 0.00 33.47 30.83 2hfd s TRP 70 CO 0.41 -0.52 0.87 -0.65 0.02 0.00 0.00 176.95 177.09 2hfd s GLN 71 N 1.05 3.16 -0.42 4.98 1.11 -1.26 -4.97 119.66 123.30 2hfd s GLN 71 Ca -0.05 -1.20 -0.22 0.00 0.01 0.00 0.00 55.36 53.90 2hfd s GLN 71 Cb -0.15 -4.34 0.02 0.00 -1.01 0.00 0.00 33.01 27.54 2hfd s GLN 71 CO -0.03 -1.69 0.72 0.08 0.01 0.00 0.00 175.29 174.38 2hfd s VAL 72 N 3.21 4.75 0.10 1.09 1.01 -1.26 -0.28 120.40 129.03 2hfd s VAL 72 Ca 0.19 0.40 0.09 0.00 0.00 0.00 0.00 61.98 62.65 2hfd s VAL 72 Cb -0.18 -4.23 -0.03 0.00 0.00 0.00 0.00 36.38 31.93 2hfd s VAL 72 CO 0.05 -0.59 -0.22 0.00 0.00 0.00 0.00 175.10 174.34 2hfd s ALA 73 N 3.03 1.94 -0.01 5.51 0.00 0.04 -3.03 121.76 129.24 2hfd s ALA 73 Ca 0.27 -1.28 0.04 0.00 0.00 0.00 0.00 51.96 50.99 2hfd s ALA 73 Cb -0.13 -0.29 -0.01 0.00 0.00 0.00 0.00 23.12 22.69 2hfd s ALA 73 CO 0.20 0.41 -0.12 0.96 0.00 0.00 0.00 175.76 177.20 2hfd s ILE 74 N -1.09 0.98 0.44 0.00 -4.36 0.14 -3.08 121.20 114.23 2hfd s ILE 74 Ca 0.08 -0.55 0.00 0.00 -0.26 0.00 0.00 60.65 59.93 2hfd s ILE 74 Cb -0.10 -0.82 -0.01 0.00 1.25 0.00 0.00 42.46 42.79 2hfd s ILE 74 CO 0.04 0.26 0.66 0.00 0.24 0.00 0.00 174.94 176.14 2hfd s ALA 75 N -0.32 3.76 0.64 2.27 0.00 -1.26 -1.46 121.76 125.39 2hfd s ALA 75 Ca 0.05 -1.04 -0.18 0.00 0.00 0.00 0.00 51.96 50.78 2hfd s ALA 75 Cb -0.05 -2.13 -0.01 0.00 0.00 0.00 0.00 23.12 20.92 2hfd s ALA 75 CO -0.00 -0.34 1.26 -0.51 0.00 0.00 0.00 175.76 176.17 2hfd s ASP 76 N -4.20 4.73 0.21 0.00 1.11 -1.24 -4.78 116.67 112.50 2hfd s ASP 76 Ca 0.48 2.53 -0.09 0.00 0.18 0.00 0.00 52.55 55.64 2hfd s ASP 76 Cb -0.10 -2.61 0.29 0.00 1.07 0.00 0.00 42.92 41.57 2hfd s ASP 76 CO 0.38 -1.91 1.74 -0.07 1.18 0.00 0.00 175.17 176.49 2hfd h LEU 77 N 0.56 0.21 0.03 1.23 3.38 -1.98 0.27 115.31 119.02 2hfd h LEU 77 Ca -0.50 0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.47 2hfd h LEU 77 Cb 1.32 0.07 0.01 0.00 0.09 0.00 0.00 40.66 42.15 2hfd h LEU 77 CO 0.53 0.12 -0.33 -0.33 0.09 0.00 0.00 178.44 178.53 2hfd h GLU 78 N 0.40 0.16 0.00 1.13 5.08 -1.91 -3.37 114.58 116.08 2hfd h GLU 78 Ca 0.31 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2hfd h GLU 78 Cb 0.40 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.72 2hfd h GLU 78 CO -0.32 1.02 0.00 1.96 -1.00 0.00 0.00 179.01 180.68 2hfd h GLN 79 N -0.59 0.00 -0.37 2.33 4.20 -1.83 -2.40 115.11 116.45 2hfd h GLN 79 Ca -0.05 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 2hfd h GLN 79 Cb 1.17 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.93 2hfd h GLN 79 CO 0.06 0.00 0.16 0.66 -0.67 0.00 0.00 178.83 179.04 2hfd h SER 80 N 0.00 0.45 -0.30 1.46 4.64 -1.11 0.28 113.55 118.98 2hfd h SER 80 Ca 0.00 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.27 2hfd h SER 80 Cb 0.45 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 2hfd h SER 80 CO 0.00 0.41 0.16 -0.08 -0.87 0.00 0.00 176.83 176.45 2hfd h GLU 81 N 0.51 0.42 -0.77 4.77 4.22 -1.65 -0.09 114.58 121.99 2hfd h GLU 81 Ca 0.13 -0.05 -0.05 0.00 0.08 0.00 0.00 59.36 59.47 2hfd h GLU 81 Cb 0.09 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 2hfd h GLU 81 CO -0.02 0.37 0.29 0.00 -2.18 0.00 0.00 179.01 177.47 2hfd h ALA 82 N 1.03 1.01 -0.46 2.92 0.00 -1.42 -0.29 119.26 122.05 2hfd h ALA 82 Ca 0.11 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2hfd h ALA 82 Cb 0.07 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2hfd h ALA 82 CO -0.02 0.66 0.24 0.82 0.00 0.00 0.00 179.25 180.95 2hfd h ILE 83 N 1.13 1.18 -0.67 0.00 2.04 -0.73 0.65 117.51 121.11 2hfd h ILE 83 Ca 0.26 -0.47 0.02 0.00 1.00 0.00 0.00 64.86 65.66 2hfd h ILE 83 Cb 0.25 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 36.94 2hfd h ILE 83 CO -0.02 0.19 0.43 1.23 0.00 0.00 0.00 178.15 179.98 2hfd h GLY 84 N 0.60 0.95 1.01 5.37 0.00 -0.59 -2.37 103.07 108.05 2hfd h GLY 84 Ca 0.16 -0.33 -0.02 0.00 0.00 0.00 0.00 47.33 47.14 2hfd h GLY 84 CO -0.02 0.30 0.38 -1.80 0.00 0.00 0.00 176.54 175.40 2hfd h ASP 85 N 0.86 0.91 -0.46 0.19 3.58 -0.70 0.30 116.42 121.10 2hfd h ASP 85 Ca 0.26 -0.11 0.06 0.00 0.42 0.00 0.00 57.03 57.67 2hfd h ASP 85 Cb -0.04 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 40.75 2hfd h ASP 85 CO -0.08 0.76 0.31 -0.09 -2.88 0.00 0.00 179.24 177.26 2hfd h ARG 86 N 0.99 0.35 0.04 0.28 2.43 -0.38 -3.02 114.38 115.07 2hfd h ARG 86 Ca 0.25 -0.02 -0.33 0.00 -0.81 0.00 0.00 59.98 59.07 2hfd h ARG 86 Cb 0.06 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.50 2hfd h ARG 86 CO -0.04 0.23 -1.81 0.34 -1.51 0.00 0.00 179.97 177.18 2hfd n PHE 87 N -4.47 0.87 0.00 2.20 7.35 -0.92 -5.01 117.46 117.48 2hfd n PHE 87 Ca 0.06 0.28 0.00 0.00 -0.76 0.00 0.00 57.45 57.03 2hfd n PHE 87 Cb 0.27 -1.10 0.00 0.00 0.35 0.00 0.00 39.48 39.00 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 1.68 1.86 0.00 7.13 0.00 0.96 -5.09 105.19 111.74 2hfd n GLY 88 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.36 0.00 -4.75 1.61 0.31 -0.70 -5.02 118.33 109.42 2hfd n VAL 89 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2hfd n VAL 89 Cb 0.00 -0.44 0.00 0.00 -0.91 0.00 0.00 33.84 32.49 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 -0.66 -1.34 -2.50 3.52 7.35 -1.26 -5.00 117.46 117.57 2hfd n PHE 90 Ca 0.00 0.00 -0.06 0.00 -0.76 0.00 0.00 57.45 56.63 2hfd n PHE 90 Cb 0.00 0.23 0.01 0.00 0.35 0.00 0.00 39.48 40.06 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 -0.75 -1.84 -0.69 -4.13 0.63 -1.26 -4.92 116.66 103.70 2hfd n ARG 91 Ca 0.00 1.75 0.00 0.00 -0.92 0.00 0.00 57.85 58.68 2hfd n ARG 91 Cb 0.00 -4.61 0.00 0.00 0.45 0.00 0.00 32.46 28.30 2hfd n ARG 91 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 2hfd n PHE 92 N -0.29 -1.92 -2.38 -0.14 3.72 -1.26 -4.94 117.46 110.25 2hfd n PHE 92 Ca 0.08 1.02 -0.41 0.00 -0.05 0.00 0.00 57.45 58.10 2hfd n PHE 92 Cb 0.32 -2.07 -0.04 0.00 -0.94 0.00 0.00 39.48 36.75 2hfd n PHE 92 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 2hfd s PRO 93 N -4.97 4.54 0.32 -1.08 0.02 -1.26 -5.02 135.00 127.54 2hfd s PRO 93 Ca 0.00 1.90 -0.13 0.00 0.02 0.00 0.00 61.00 62.79 2hfd s PRO 93 Cb 0.00 -3.19 0.05 0.00 0.02 0.00 0.00 34.50 31.38 2hfd s PRO 93 CO 0.00 0.04 0.67 0.00 -0.33 0.00 0.00 177.00 177.38 2hfd n ALA 94 N 1.60 -1.53 -2.65 -1.55 0.00 -1.00 -4.96 120.51 110.43 2hfd n ALA 94 Ca 0.01 -1.03 -0.39 0.00 0.00 0.00 0.00 53.44 52.02 2hfd n ALA 94 Cb 0.44 0.81 -0.07 0.00 0.00 0.00 0.00 19.45 20.63 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 -2.25 5.10 -0.36 0.00 2.01 -1.20 -0.36 115.64 118.58 2hfd s THR 95 Ca 0.14 0.90 -0.14 0.00 0.31 0.00 0.00 61.69 62.90 2hfd s THR 95 Cb -0.04 -3.83 -0.01 0.00 0.01 0.00 0.00 72.50 68.64 2hfd s THR 95 CO 0.09 0.15 0.28 -0.76 -0.69 0.00 0.00 174.62 173.70 2hfd s LEU 96 N 1.83 4.66 -0.21 4.42 1.43 0.14 -1.17 118.68 129.78 2hfd s LEU 96 Ca 0.23 -0.52 -0.08 0.00 -1.03 0.00 0.00 54.13 52.73 2hfd s LEU 96 Cb -0.15 -2.18 -0.04 0.00 0.03 0.00 0.00 46.19 43.84 2hfd s LEU 96 CO 0.09 -0.31 0.08 0.54 0.23 0.00 0.00 176.35 176.98 2hfd s VAL 97 N 1.77 4.79 0.12 -1.59 0.11 -0.84 -0.91 120.40 123.86 2hfd s VAL 97 Ca 0.07 -0.03 0.09 0.00 -2.93 0.00 0.00 61.98 59.19 2hfd s VAL 97 Cb -0.18 -3.19 -0.04 0.00 -1.53 0.00 0.00 36.38 31.44 2hfd s VAL 97 CO 0.11 0.41 -0.23 -0.36 -3.33 0.00 0.00 175.10 171.69 2hfd s PHE 98 N 0.79 2.02 -0.10 1.54 0.08 -1.21 -1.71 117.98 119.39 2hfd s PHE 98 Ca 0.04 -0.40 0.01 0.00 0.12 0.00 0.00 56.93 56.70 2hfd s PHE 98 Cb -0.13 -1.09 0.02 0.00 -0.57 0.00 0.00 43.02 41.25 2hfd s PHE 98 CO 0.02 0.28 -0.11 0.95 -0.10 0.00 0.00 175.22 176.27 2hfd s THR 99 N -1.20 1.15 -1.67 0.64 -4.23 0.11 -4.29 115.64 106.15 2hfd s THR 99 Ca 0.11 -0.42 0.00 0.00 -1.18 0.00 0.00 61.69 60.19 2hfd s THR 99 Cb -0.10 -1.11 0.00 0.00 1.34 0.00 0.00 72.50 72.64 2hfd s THR 99 CO 0.05 0.38 0.00 0.61 -0.54 0.00 0.00 174.62 175.12 2hfd n GLY 100 N 4.41 -0.18 2.43 3.99 0.00 -1.25 -1.31 105.19 113.28 2hfd n GLY 100 Ca -0.18 -0.09 0.00 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 -0.98 1.12 3.74 -0.02 0.00 -1.26 -4.90 105.19 102.90 2hfd n GLY 101 Ca -0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.46 2hfd n GLY 101 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2hfd s ASN 102 N -3.09 5.49 0.25 1.61 0.01 -0.42 -5.05 114.94 113.74 2hfd s ASN 102 Ca 0.00 0.13 -0.30 0.00 -0.71 0.00 0.00 52.86 51.98 2hfd s ASN 102 Cb 0.00 -1.55 -0.09 0.00 0.41 0.00 0.00 41.25 40.02 2hfd s ASN 102 CO 0.00 0.31 1.28 -0.47 -1.51 0.00 0.00 177.10 176.70 2hfd s TYR 103 N -1.09 3.24 0.01 2.20 5.04 -1.26 0.08 117.35 125.56 2hfd s TYR 103 Ca 0.19 1.35 -0.03 0.00 -2.44 0.00 0.00 57.07 56.14 2hfd s TYR 103 Cb -0.12 -3.58 -0.01 0.00 0.35 0.00 0.00 41.96 38.60 2hfd s TYR 103 CO 0.10 -1.68 -0.06 0.54 -1.34 0.00 0.00 175.55 173.10 2hfd n ARG 104 N 1.84 0.09 -1.06 4.97 5.12 -0.69 -4.50 116.66 122.43 2hfd n ARG 104 Ca 0.03 0.04 0.00 0.00 -1.93 0.00 0.00 57.85 55.99 2hfd n ARG 104 Cb 0.43 -0.50 0.00 0.00 -1.16 0.00 0.00 32.46 31.22 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 2.87 1.23 3.32 -0.13 0.00 -1.20 -4.91 105.19 106.37 2hfd n GLY 105 Ca -0.02 -0.81 -0.27 0.00 0.00 0.00 0.00 46.02 44.92 2hfd n GLY 105 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2hfd s VAL 106 N -2.40 1.95 -0.16 1.61 -7.23 -1.26 -1.98 120.40 110.94 2hfd s VAL 106 Ca 0.00 -1.44 -0.09 0.00 -1.81 0.00 0.00 61.98 58.64 2hfd s VAL 106 Cb 0.00 -1.71 -0.05 0.00 0.56 0.00 0.00 36.38 35.19 2hfd s VAL 106 CO 0.00 0.19 0.15 -0.76 -0.31 0.00 0.00 175.10 174.37 2hfd s LEU 107 N -1.50 4.29 -0.03 1.32 1.02 -0.32 -4.97 118.68 118.49 2hfd s LEU 107 Ca 0.10 0.35 0.04 0.00 0.02 0.00 0.00 54.13 54.64 2hfd s LEU 107 Cb -0.10 -2.11 0.06 0.00 0.02 0.00 0.00 46.19 44.07 2hfd s LEU 107 CO 0.03 0.27 0.97 -3.20 0.02 0.00 0.00 176.35 174.43 2hfd n ASN 108 N 2.90 1.73 -4.58 2.29 4.05 -1.26 -3.22 115.26 117.17 2hfd n ASN 108 Ca -0.17 -2.11 -0.40 0.00 0.45 0.00 0.00 54.58 52.35 2hfd n ASN 108 Cb 0.53 -0.10 -0.08 0.00 1.23 0.00 0.00 39.78 41.36 2hfd n ASN 108 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 177.26 173.38 2hfd s GLY 109 N -1.28 1.85 -0.15 8.20 0.00 -1.26 -4.93 107.32 109.76 2hfd s GLY 109 Ca 0.07 -0.88 0.03 0.00 0.00 0.00 0.00 44.72 43.94 2hfd s GLY 109 CO 0.01 1.16 0.24 1.39 0.00 0.00 0.00 173.10 175.90 2hfd n ILE 110 N 5.26 1.62 0.02 0.90 2.08 -1.26 -4.86 119.36 123.12 2hfd n ILE 110 Ca -0.06 -0.69 0.00 0.00 0.56 0.00 0.00 62.75 62.56 2hfd n ILE 110 Cb 0.50 -1.33 0.00 0.00 -0.75 0.00 0.00 39.64 38.06 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 -3.23 -0.09 -1.68 1.39 8.25 -1.26 -4.44 115.22 114.16 2hfd n HIS 111 Ca -0.32 0.02 -0.46 0.00 -0.26 0.00 0.00 57.72 56.70 2hfd n HIS 111 Cb 1.05 0.07 -0.04 0.00 1.12 0.00 0.00 29.99 32.19 2hfd n HIS 111 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 2hfd n PRO 112 N -3.08 2.41 0.07 -0.41 -0.02 -1.26 -4.89 135.00 127.83 2hfd n PRO 112 Ca 0.00 0.88 -0.23 0.00 -2.02 0.00 0.00 63.50 62.13 2hfd n PRO 112 Cb 0.32 -2.74 -0.15 0.00 -0.02 0.00 0.00 33.50 30.92 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 8.62 0.71 -0.50 6.00 -0.00 -1.98 -2.24 115.95 126.56 2hfd h TRP 113 Ca -0.48 -0.52 -0.10 0.00 -0.00 0.00 0.00 58.89 57.79 2hfd h TRP 113 Cb 1.25 -0.03 -0.02 0.00 -0.00 0.00 0.00 29.16 30.37 2hfd h TRP 113 CO 0.82 1.66 -0.10 0.00 -0.00 0.00 0.00 178.44 180.82 2hfd h ALA 114 N 0.10 0.87 -0.05 2.65 0.00 -1.99 0.12 119.26 120.96 2hfd h ALA 114 Ca -0.34 -0.33 -0.15 0.00 0.00 0.00 0.00 54.91 54.08 2hfd h ALA 114 Cb 2.07 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.66 2hfd h ALA 114 CO 0.17 0.64 -0.66 1.49 0.00 0.00 0.00 179.25 180.89 2hfd h GLU 115 N 0.83 0.20 -0.23 0.00 4.81 -1.97 -0.07 114.58 118.15 2hfd h GLU 115 Ca 0.13 -0.15 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 2hfd h GLU 115 Cb 0.63 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.03 2hfd h GLU 115 CO 0.04 0.79 0.06 1.25 -0.73 0.00 0.00 179.01 180.42 2hfd h LEU 116 N 0.14 0.35 -0.51 1.64 5.85 -0.92 -0.16 115.31 121.70 2hfd h LEU 116 Ca -0.01 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.49 2hfd h LEU 116 Cb 1.19 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 42.10 2hfd h LEU 116 CO 0.10 0.48 0.34 0.40 -0.34 0.00 0.00 178.44 179.42 2hfd h ILE 117 N 0.20 1.13 -0.02 4.05 2.04 -0.90 -0.56 117.51 123.44 2hfd h ILE 117 Ca 0.07 -0.25 0.03 0.00 1.00 0.00 0.00 64.86 65.72 2hfd h ILE 117 Cb 0.27 0.38 -0.06 0.00 -0.74 0.00 0.00 36.82 36.67 2hfd h ILE 117 CO 0.00 0.13 -0.43 -1.13 0.00 0.00 0.00 178.15 176.72 2hfd h ASN 118 N 0.69 -1.31 -0.30 1.72 -1.24 -0.70 0.23 115.58 114.68 2hfd h ASN 118 Ca 0.19 0.16 -0.00 0.00 0.71 0.00 0.00 56.30 57.36 2hfd h ASN 118 Cb -0.08 0.51 -0.01 0.00 0.73 0.00 0.00 38.32 39.47 2hfd h ASN 118 CO -0.04 -0.46 0.18 -0.07 -1.29 0.00 0.00 177.43 175.75 2hfd h LEU 119 N -0.57 0.36 -0.67 0.34 3.38 -0.93 -2.41 115.31 114.81 2hfd h LEU 119 Ca 0.05 -0.05 0.10 0.00 0.09 0.00 0.00 57.88 58.07 2hfd h LEU 119 Cb 0.65 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.24 2hfd h LEU 119 CO -0.33 0.30 0.30 -0.03 0.09 0.00 0.00 178.44 178.77 2hfd h MET 120 N 0.39 0.50 -0.27 1.13 4.05 -0.67 -1.10 114.93 118.95 2hfd h MET 120 Ca 0.11 -0.03 0.04 0.00 -0.28 0.00 0.00 59.70 59.54 2hfd h MET 120 Cb 0.00 -0.11 -0.04 0.00 -0.80 0.00 0.00 31.60 30.65 2hfd h MET 120 CO -0.02 0.33 0.01 0.00 0.23 0.00 0.00 176.91 177.46 2hfd h ARG 121 N 0.52 0.09 -0.01 0.39 2.47 -0.16 0.66 114.38 118.34 2hfd h ARG 121 Ca 0.34 -0.01 -0.08 0.00 -1.26 0.00 0.00 59.98 58.98 2hfd h ARG 121 Cb 0.39 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.68 2hfd h ARG 121 CO -0.29 0.06 -0.36 0.78 0.56 0.00 0.00 179.97 180.72 2hfd h GLY 122 N 0.10 0.01 0.00 0.04 0.00 -0.89 -1.58 103.07 100.76 2hfd h GLY 122 Ca 0.13 -0.01 -0.05 0.00 0.00 0.00 0.00 47.33 47.40 2hfd h GLY 122 CO -0.21 0.01 -0.38 1.41 0.00 0.00 0.00 176.54 177.37 2hfd h LEU 123 N 0.01 0.00 0.00 3.11 3.38 -0.62 -3.33 115.31 117.86 2hfd h LEU 123 Ca -0.00 -0.38 -0.16 0.00 0.09 0.00 0.00 57.88 57.42 2hfd h LEU 123 Cb 0.64 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 2hfd h LEU 123 CO 0.05 0.91 -1.18 -0.37 0.09 0.00 0.00 178.44 177.94 2hfd h VAL 124 N -1.00 0.68 -3.64 1.22 -1.51 -0.99 -3.38 116.25 107.63 2hfd h VAL 124 Ca -0.08 -2.17 -0.77 0.00 -1.23 0.00 0.00 66.70 62.46 2hfd h VAL 124 Cb 0.67 2.20 -0.29 0.00 -2.13 0.00 0.00 31.29 31.73 2hfd h VAL 124 CO -0.05 0.39 0.10 -0.70 -1.23 0.00 0.00 177.57 176.08 2hfd s GLU 125 N -2.90 3.57 -0.35 5.19 2.12 -0.59 -5.02 118.70 120.72 2hfd s GLU 125 Ca -0.01 -2.81 -0.27 0.00 0.36 0.00 0.00 54.97 52.23 2hfd s GLU 125 Cb 0.08 -4.29 -0.05 0.00 0.26 0.00 0.00 34.13 30.14 2hfd s GLU 125 CO 0.80 -1.25 2.17 -1.25 -0.54 0.00 0.00 175.26 175.18 2hfd s PRO 126 N -0.51 2.84 0.49 4.30 0.04 -1.26 -4.38 135.00 136.51 2hfd s PRO 126 Ca 0.23 1.63 0.28 0.00 0.04 0.00 0.00 61.00 63.18 2hfd s PRO 126 Cb -0.11 -4.40 1.08 0.00 0.04 0.00 0.00 34.50 31.11 2hfd s PRO 126 CO -0.08 -2.44 1.88 1.96 0.04 0.00 0.00 177.00 178.36 2hfd h GLN 127 N 15.93 0.00 -1.39 4.56 4.20 -1.85 -3.42 115.11 133.14 2hfd h GLN 127 Ca -0.34 0.00 0.14 0.00 0.06 0.00 0.00 58.65 58.51 2hfd h GLN 127 Cb 1.23 0.00 -0.23 0.00 0.30 0.00 0.00 27.48 28.78 2hfd h GLN 127 CO 1.05 0.11 0.12 1.14 -0.67 0.00 0.00 178.83 180.57 2hfd s GLN 128 N -3.63 0.40 -0.19 1.46 -2.07 -1.26 -5.02 119.66 109.35 2hfd s GLN 128 Ca 0.01 0.97 0.06 0.00 -1.82 0.00 0.00 55.36 54.59 2hfd s GLN 128 Cb 0.09 0.55 0.47 0.00 -1.09 0.00 0.00 33.01 33.02 2hfd s GLN 128 CO 0.60 -0.13 1.35 -0.85 -1.32 0.00 0.00 175.29 174.94 2hfd n GLU 129 N 5.02 2.82 0.27 9.60 0.00 -1.26 -4.28 120.64 132.81 2hfd n GLU 129 Ca -0.11 -1.87 0.14 0.00 0.00 0.00 0.00 57.16 55.32 2hfd n GLU 129 Cb 0.52 -1.88 0.78 0.00 0.00 0.00 0.00 31.44 30.86 2hfd n GLU 129 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 2hfd h ARG 130 N 1.81 0.00 -5.31 3.44 2.43 -1.99 -3.34 114.38 111.42 2hfd h ARG 130 Ca 0.13 0.00 -0.68 0.00 -0.81 0.00 0.00 59.98 58.62 2hfd h ARG 130 Cb 1.64 0.00 -0.15 0.00 -0.42 0.00 0.00 29.97 31.05 2hfd h ARG 130 CO 0.42 0.09 1.28 0.00 -1.51 0.00 0.00 179.97 180.25 2hfd s ALA 131 N -4.16 3.37 0.00 2.80 0.00 -1.26 -5.22 121.76 117.29 2hfd s ALA 131 Ca -0.03 -2.82 0.00 0.00 0.00 0.00 0.00 51.96 49.12 2hfd s ALA 131 Cb 0.13 -4.25 0.00 0.00 0.00 0.00 0.00 23.12 19.00 2hfd s ALA 131 CO 0.56 -3.11 0.11 0.43 0.00 0.00 0.00 175.76 173.75