#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hfd s SER 2 N 0.00 0.69 -0.65 6.12 0.01 -1.26 -5.09 113.70 113.52 2hfd s SER 2 Ca 0.00 0.27 -0.27 0.00 1.31 0.00 0.00 55.95 57.27 2hfd s SER 2 Cb 0.00 0.18 -0.00 0.00 0.21 0.00 0.00 66.02 66.40 2hfd s SER 2 CO 0.00 -0.23 1.66 0.20 0.41 0.00 0.00 173.24 175.28 2hfd s ASN 3 N 2.08 5.58 0.12 2.44 0.01 -1.26 -4.94 114.94 118.98 2hfd s ASN 3 Ca 0.01 0.08 -0.31 0.00 -0.71 0.00 0.00 52.86 51.94 2hfd s ASN 3 Cb -0.12 -2.54 -0.10 0.00 0.41 0.00 0.00 41.25 38.90 2hfd s ASN 3 CO -0.05 -2.18 1.81 -0.62 -1.51 0.00 0.00 177.10 174.54 2hfd s ASP 4 N 6.58 6.44 0.00 -1.22 2.15 -1.26 -4.63 116.67 124.72 2hfd s ASP 4 Ca 0.56 2.74 0.00 0.00 0.43 0.00 0.00 52.55 56.28 2hfd s ASP 4 Cb -0.11 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 39.94 2hfd s ASP 4 CO 0.19 -0.99 0.00 0.41 -0.17 0.00 0.00 175.17 174.61 2hfd n THR 5 N 4.69 0.00 0.33 1.71 -1.04 -1.26 -4.80 114.28 113.90 2hfd n THR 5 Ca 0.17 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 62.02 2hfd n THR 5 Cb 0.38 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.81 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 -0.79 -0.55 -2.82 0.11 -1.99 0.62 132.00 126.59 2hfd h PRO 6 Ca 0.00 0.05 -0.07 0.00 0.11 0.00 0.00 66.00 66.09 2hfd h PRO 6 Cb 0.00 0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.27 2hfd h PRO 6 CO 0.00 -0.48 0.07 0.35 -0.21 0.00 0.00 178.00 177.72 2hfd h PHE 7 N -0.94 0.98 -0.15 0.65 3.57 -1.94 0.18 116.94 119.28 2hfd h PHE 7 Ca -0.08 -0.14 0.05 0.00 3.53 0.00 0.00 57.97 61.32 2hfd h PHE 7 Cb 0.67 -0.27 -0.06 0.00 2.79 0.00 0.00 35.95 39.08 2hfd h PHE 7 CO -0.01 0.88 -0.23 0.22 -2.23 0.00 0.00 178.31 176.94 2hfd h ASP 8 N 0.80 -0.70 -0.34 0.41 3.58 -1.87 0.33 116.42 118.63 2hfd h ASP 8 Ca 0.16 0.12 -0.04 0.00 0.42 0.00 0.00 57.03 57.70 2hfd h ASP 8 Cb 0.44 0.32 -0.01 0.00 1.72 0.00 0.00 39.33 41.79 2hfd h ASP 8 CO 0.01 -0.27 0.07 0.00 -2.88 0.00 0.00 179.24 176.17 2hfd h ALA 9 N 0.72 0.45 -0.34 -0.78 0.00 -0.64 -0.68 119.26 117.99 2hfd h ALA 9 Ca 0.11 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2hfd h ALA 9 Cb 0.44 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2hfd h ALA 9 CO -0.31 0.14 0.22 -0.07 0.00 0.00 0.00 179.25 179.23 2hfd h LEU 10 N 0.40 0.39 -0.77 0.00 -0.00 -0.31 -0.47 115.31 114.55 2hfd h LEU 10 Ca 0.11 -0.01 -0.11 0.00 -0.00 0.00 0.00 57.88 57.87 2hfd h LEU 10 Cb 0.32 -0.10 -0.01 0.00 -0.00 0.00 0.00 40.66 40.87 2hfd h LEU 10 CO 0.00 0.28 -0.23 -0.25 -0.00 0.00 0.00 178.44 178.25 2hfd h TRP 11 N 0.46 0.77 -0.27 1.13 7.01 -0.27 0.82 115.95 125.60 2hfd h TRP 11 Ca 0.12 -0.17 0.04 0.00 2.11 0.00 0.00 58.89 61.00 2hfd h TRP 11 Cb -0.05 -0.19 -0.04 0.00 -2.10 0.00 0.00 29.16 26.78 2hfd h TRP 11 CO -0.05 0.85 0.01 0.37 -2.79 0.00 0.00 178.44 176.83 2hfd h GLN 12 N 0.60 0.10 0.23 2.65 -0.00 -0.71 0.44 115.11 118.42 2hfd h GLN 12 Ca 0.09 -0.01 -0.01 0.00 -0.00 0.00 0.00 58.65 58.72 2hfd h GLN 12 Cb 0.71 -0.02 0.00 0.00 0.00 0.00 0.00 27.48 28.17 2hfd h GLN 12 CO 0.05 0.06 -0.11 0.00 0.00 0.00 0.00 178.83 178.84 2hfd h ARG 13 N 0.10 -0.30 -1.00 1.69 3.08 -0.56 -0.29 114.38 117.10 2hfd h ARG 13 Ca 0.13 0.02 0.12 0.00 0.07 0.00 0.00 59.98 60.32 2hfd h ARG 13 Cb 0.16 0.07 -0.08 0.00 0.08 0.00 0.00 29.97 30.20 2hfd h ARG 13 CO -0.21 -0.16 0.63 0.52 -1.07 0.00 0.00 179.97 179.69 2hfd h MET 14 N -0.37 0.94 -0.41 0.04 2.86 -0.59 -1.81 114.93 115.59 2hfd h MET 14 Ca -0.03 -0.06 -0.09 0.00 -2.06 0.00 0.00 59.70 57.46 2hfd h MET 14 Cb 0.28 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 2hfd h MET 14 CO 0.05 0.62 -0.08 -0.07 1.06 0.00 0.00 176.91 178.49 2hfd h LEU 15 N 0.97 0.79 -1.32 1.22 -0.00 0.23 -2.59 115.31 114.61 2hfd h LEU 15 Ca 0.50 -0.35 0.00 0.00 -0.00 0.00 0.00 57.88 58.02 2hfd h LEU 15 Cb 0.52 -0.21 0.00 0.00 -0.00 0.00 0.00 40.66 40.96 2hfd h LEU 15 CO -0.26 0.96 0.00 0.00 -0.00 0.00 0.00 178.44 179.13 2hfd h ALA 16 N 0.86 1.00 0.00 1.53 0.00 -0.23 -0.54 119.26 121.88 2hfd h ALA 16 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2hfd h ALA 16 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2hfd h ALA 16 CO 0.04 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.29 2hfd h ARG 17 N 0.00 0.00 0.00 0.00 2.47 -1.01 -3.46 114.38 112.38 2hfd h ARG 17 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2hfd h ARG 17 Cb 0.18 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.50 2hfd h ARG 17 CO 0.00 0.00 0.00 0.41 0.56 0.00 0.00 179.97 180.94 2hfd n GLY 18 N -0.00 1.53 3.68 0.04 0.00 -0.21 -5.10 105.19 105.12 2hfd n GLY 18 Ca 0.01 -0.07 -0.22 0.00 0.00 0.00 0.00 46.02 45.74 2hfd n GLY 18 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2hfd n TRP 19 N -1.54 -3.05 -4.52 1.61 8.01 -1.24 -5.10 117.44 111.61 2hfd n TRP 19 Ca 0.00 -1.62 -0.31 0.00 -1.31 0.00 0.00 57.50 54.26 2hfd n TRP 19 Cb 0.02 -0.72 -0.17 0.00 -2.01 0.00 0.00 31.31 28.44 2hfd n TRP 19 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.69 177.67 2hfd s THR 20 N -2.99 1.86 0.13 -0.99 2.01 -1.25 -4.94 115.64 109.47 2hfd s THR 20 Ca 0.64 -0.85 -0.30 0.00 0.31 0.00 0.00 61.69 61.48 2hfd s THR 20 Cb -0.03 -1.66 -0.07 0.00 0.01 0.00 0.00 72.50 70.74 2hfd s THR 20 CO 0.42 0.51 1.21 -2.84 -0.69 0.00 0.00 174.62 173.23 2hfd s PRO 21 N 0.95 4.46 0.05 4.92 0.02 -1.26 -2.40 135.00 141.75 2hfd s PRO 21 Ca -0.05 1.84 0.09 0.00 0.02 0.00 0.00 61.00 62.90 2hfd s PRO 21 Cb -0.15 -3.28 -0.03 0.00 0.02 0.00 0.00 34.50 31.06 2hfd s PRO 21 CO -0.03 -0.17 -0.25 0.08 -0.33 0.00 0.00 177.00 176.29 2hfd s VAL 22 N 0.46 2.05 0.37 3.83 1.01 0.77 -4.94 120.40 123.95 2hfd s VAL 22 Ca 0.56 -1.38 0.06 0.00 0.00 0.00 0.00 61.98 61.22 2hfd s VAL 22 Cb -0.32 -1.76 -0.00 0.00 0.00 0.00 0.00 36.38 34.30 2hfd s VAL 22 CO 0.33 0.31 0.52 -0.94 0.00 0.00 0.00 175.10 175.32 2hfd s SER 23 N -1.28 5.89 0.12 3.32 1.04 -1.26 -4.37 113.70 117.16 2hfd s SER 23 Ca 0.11 -0.16 -0.27 0.00 0.48 0.00 0.00 55.95 56.11 2hfd s SER 23 Cb -0.10 -1.17 -0.06 0.00 0.10 0.00 0.00 66.02 64.79 2hfd s SER 23 CO 0.02 -0.53 1.62 -0.08 0.98 0.00 0.00 173.24 175.26 2hfd h GLU 24 N 0.78 -0.45 0.00 4.02 4.22 -1.98 0.91 114.58 122.08 2hfd h GLU 24 Ca -0.45 0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.02 2hfd h GLU 24 Cb 1.26 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.61 2hfd h GLU 24 CO 0.52 -0.30 0.00 0.43 -2.18 0.00 0.00 179.01 177.48 2hfd n SER 25 N -5.40 0.54 0.03 1.04 7.64 -1.26 -2.53 113.62 113.68 2hfd n SER 25 Ca -0.05 0.56 0.11 0.00 1.01 0.00 0.00 58.87 60.50 2hfd n SER 25 Cb 0.31 -0.70 -0.02 0.00 -1.01 0.00 0.00 64.21 62.79 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 -2.02 0.38 -0.18 1.43 3.00 -0.81 -3.66 116.66 114.80 2hfd n ARG 26 Ca 0.05 -0.02 -0.07 0.00 -0.00 0.00 0.00 57.85 57.82 2hfd n ARG 26 Cb 0.37 -1.61 0.02 0.00 0.00 0.00 0.00 32.46 31.24 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 0.64 -0.47 6.15 7.12 -0.54 0.21 115.31 128.41 2hfd h LEU 27 Ca 0.00 -0.06 -0.17 0.00 0.13 0.00 0.00 57.88 57.78 2hfd h LEU 27 Cb 0.80 -0.16 -0.01 0.00 -0.53 0.00 0.00 40.66 40.75 2hfd h LEU 27 CO 0.00 0.51 -0.75 -0.78 -0.13 0.00 0.00 178.44 177.29 2hfd h ASP 28 N 0.72 0.19 0.35 1.25 1.82 -1.69 -0.50 116.42 118.56 2hfd h ASP 28 Ca 0.19 -0.14 -0.02 0.00 -0.39 0.00 0.00 57.03 56.68 2hfd h ASP 28 Cb -0.01 -0.06 0.00 0.00 0.68 0.00 0.00 39.33 39.94 2hfd h ASP 28 CO -0.04 0.87 -0.17 -0.78 -1.61 0.00 0.00 179.24 177.51 2hfd h ASP 29 N 0.10 -0.40 0.33 2.28 3.58 -1.52 -0.85 116.42 119.94 2hfd h ASP 29 Ca -0.02 -0.12 -0.06 0.00 0.42 0.00 0.00 57.03 57.25 2hfd h ASP 29 Cb 1.32 0.10 -0.01 0.00 1.72 0.00 0.00 39.33 42.46 2hfd h ASP 29 CO 0.11 -0.10 -0.27 -0.50 -2.88 0.00 0.00 179.24 175.60 2hfd h TRP 30 N -0.72 0.00 0.00 0.28 6.55 -0.62 -0.28 115.95 121.16 2hfd h TRP 30 Ca -0.05 0.00 -0.05 0.00 0.95 0.00 0.00 58.89 59.74 2hfd h TRP 30 Cb 0.50 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.79 2hfd h TRP 30 CO 0.00 0.27 -0.25 1.25 -1.05 0.00 0.00 178.44 178.67 2hfd h LEU 31 N 0.00 0.00 -0.08 -4.49 5.85 -0.92 0.41 115.31 116.09 2hfd h LEU 31 Ca -0.00 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.51 2hfd h LEU 31 Cb 0.51 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.55 2hfd h LEU 31 CO 0.03 0.25 -0.76 0.74 -0.34 0.00 0.00 178.44 178.37 2hfd h THR 32 N 0.00 1.32 0.08 1.05 2.02 0.41 -3.37 112.91 114.42 2hfd h THR 32 Ca -0.00 -2.03 -0.19 0.00 0.77 0.00 0.00 66.41 64.96 2hfd h THR 32 Cb 0.50 2.24 -0.00 0.00 -1.74 0.00 0.00 68.15 69.15 2hfd h THR 32 CO 0.03 0.62 -0.92 1.56 0.37 0.00 0.00 175.52 177.18 2hfd h GLN 33 N 0.30 0.17 -5.21 6.66 1.08 -1.14 -3.44 115.11 113.53 2hfd h GLN 33 Ca -0.07 -0.29 -0.63 0.00 -1.45 0.00 0.00 58.65 56.21 2hfd h GLN 33 Cb 1.41 0.11 -0.14 0.00 -0.05 0.00 0.00 27.48 28.81 2hfd h GLN 33 CO 0.15 1.14 -0.15 0.00 -0.95 0.00 0.00 178.83 179.02 2hfd s ALA 34 N -2.39 3.55 -0.14 3.87 0.00 0.14 -5.05 121.76 121.75 2hfd s ALA 34 Ca -0.19 -0.81 -0.26 0.00 0.00 0.00 0.00 51.96 50.70 2hfd s ALA 34 Cb 0.02 -2.81 -0.02 0.00 0.00 0.00 0.00 23.12 20.31 2hfd s ALA 34 CO 0.74 -0.79 0.83 -1.25 0.00 0.00 0.00 175.76 175.29 2hfd s PRO 35 N 2.18 4.34 0.27 0.00 0.04 -1.26 -4.44 135.00 136.13 2hfd s PRO 35 Ca 0.17 1.04 0.00 0.00 0.04 0.00 0.00 61.00 62.25 2hfd s PRO 35 Cb -0.16 -3.55 0.00 0.00 0.04 0.00 0.00 34.50 30.83 2hfd s PRO 35 CO 0.10 -0.26 0.00 -0.25 0.04 0.00 0.00 177.00 176.63 2hfd n ASP 36 N 4.95 -5.28 0.00 6.66 9.92 -1.26 -4.28 116.55 127.25 2hfd n ASP 36 Ca 0.04 0.55 0.00 0.00 -0.53 0.00 0.00 54.79 54.85 2hfd n ASP 36 Cb 0.49 -2.80 0.00 0.00 -0.64 0.00 0.00 41.12 38.17 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 -3.43 0.83 3.00 0.44 0.00 -1.16 -3.41 105.19 101.45 2hfd n GLY 37 Ca -0.02 -2.00 -0.15 0.00 0.00 0.00 0.00 46.02 43.85 2hfd n GLY 37 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2hfd s VAL 38 N -1.92 0.49 -0.12 1.61 -7.23 -0.05 -2.39 120.40 110.78 2hfd s VAL 38 Ca 0.00 -0.48 0.03 0.00 -1.81 0.00 0.00 61.98 59.72 2hfd s VAL 38 Cb 0.00 -0.46 0.00 0.00 0.56 0.00 0.00 36.38 36.49 2hfd s VAL 38 CO 0.00 -0.01 -0.22 -0.69 -0.31 0.00 0.00 175.10 173.88 2hfd s VAL 39 N -0.47 2.18 -0.14 1.32 1.01 0.40 -0.46 120.40 124.24 2hfd s VAL 39 Ca -0.01 -0.96 -0.07 0.00 0.00 0.00 0.00 61.98 60.94 2hfd s VAL 39 Cb -0.04 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.44 2hfd s VAL 39 CO -0.00 0.55 0.10 -0.76 0.00 0.00 0.00 175.10 174.99 2hfd s LEU 40 N 0.57 4.09 -0.00 3.92 1.43 -0.06 -1.15 118.68 127.47 2hfd s LEU 40 Ca -0.13 0.28 -0.00 0.00 -1.03 0.00 0.00 54.13 53.25 2hfd s LEU 40 Cb -0.17 -2.01 -0.00 0.00 0.03 0.00 0.00 46.19 44.04 2hfd s LEU 40 CO 0.04 0.30 -0.00 -0.07 0.23 0.00 0.00 176.35 176.85 2hfd h LEU 41 N 5.74 0.00 -8.15 1.79 4.07 -1.86 -3.14 115.31 113.76 2hfd h LEU 41 Ca -0.47 0.00 -0.09 0.00 0.08 0.00 0.00 57.88 57.40 2hfd h LEU 41 Cb 1.19 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.91 2hfd h LEU 41 CO 0.64 0.02 0.14 -0.44 -1.08 0.00 0.00 178.44 177.72 2hfd s SER 42 N -3.24 0.24 0.00 -0.43 0.01 -1.26 -4.42 113.70 104.60 2hfd s SER 42 Ca -0.00 -1.21 0.00 0.00 1.31 0.00 0.00 55.95 56.05 2hfd s SER 42 Cb 0.00 0.79 0.00 0.00 0.21 0.00 0.00 66.02 67.02 2hfd s SER 42 CO 0.00 -1.56 0.00 -1.20 0.41 0.00 0.00 173.24 170.90 2hfd n SER 43 N -1.34 0.00 -1.14 2.44 7.64 -1.26 -4.55 113.62 115.40 2hfd n SER 43 Ca -0.05 0.25 0.13 0.00 1.01 0.00 0.00 58.87 60.21 2hfd n SER 43 Cb 0.60 -0.26 -0.07 0.00 -1.01 0.00 0.00 64.21 63.47 2hfd n SER 43 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2hfd n ASP 44 N -1.27 -6.19 -4.74 6.43 9.92 -1.26 -4.82 116.55 114.62 2hfd n ASP 44 Ca 0.00 1.17 -0.41 0.00 -0.53 0.00 0.00 54.79 55.02 2hfd n ASP 44 Cb 0.00 -3.93 -0.03 0.00 -0.64 0.00 0.00 41.12 36.53 2hfd n ASP 44 CO 0.00 0.00 0.00 -2.84 0.13 0.00 0.00 177.20 174.49 2hfd s PRO 45 N -4.07 4.35 -0.11 -0.24 0.02 -1.26 -4.96 135.00 128.73 2hfd s PRO 45 Ca 0.00 2.13 -0.08 0.00 0.02 0.00 0.00 61.00 63.07 2hfd s PRO 45 Cb 0.00 -3.17 -0.03 0.00 0.02 0.00 0.00 34.50 31.32 2hfd s PRO 45 CO 0.00 -0.32 -0.16 1.17 -0.33 0.00 0.00 177.00 177.36 2hfd n LYS 46 N 2.66 0.33 0.00 5.54 0.00 -1.26 -5.03 118.16 120.40 2hfd n LYS 46 Ca 0.07 0.34 0.00 0.00 0.00 0.00 0.00 58.31 58.72 2hfd n LYS 46 Cb 0.42 -1.32 0.00 0.00 0.00 0.00 0.00 35.03 34.13 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 -3.89 0.00 -3.55 1.64 0.63 -1.26 -5.15 116.66 105.09 2hfd n ARG 47 Ca -0.07 0.00 -0.22 0.00 -0.92 0.00 0.00 57.85 56.65 2hfd n ARG 47 Cb 0.24 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 33.14 2hfd n ARG 47 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 2hfd s THR 48 N 0.00 2.39 -1.90 5.15 -4.23 -1.26 -5.00 115.64 110.79 2hfd s THR 48 Ca 0.00 -1.32 0.25 0.00 -1.18 0.00 0.00 61.69 59.44 2hfd s THR 48 Cb 0.00 -2.71 0.65 0.00 1.34 0.00 0.00 72.50 71.78 2hfd s THR 48 CO 0.00 0.00 1.83 -2.65 -0.54 0.00 0.00 174.62 173.26 2hfd n PRO 49 N -1.69 0.70 0.00 3.99 -0.02 -1.26 -3.45 135.00 133.27 2hfd n PRO 49 Ca 0.04 0.01 0.12 0.00 -2.02 0.00 0.00 63.50 61.65 2hfd n PRO 49 Cb 0.62 -1.50 0.73 0.00 -0.02 0.00 0.00 33.50 33.33 2hfd n PRO 49 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2hfd n GLU 50 N -1.05 0.89 0.30 -0.52 4.71 -1.26 -3.27 120.64 120.44 2hfd n GLU 50 Ca 0.17 0.00 0.15 0.00 -0.01 0.00 0.00 57.16 57.47 2hfd n GLU 50 Cb 0.10 -1.43 0.91 0.00 -1.01 0.00 0.00 31.44 30.01 2hfd n GLU 50 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 2hfd h VAL 51 N 0.00 0.52 -0.01 2.62 2.07 -1.95 -1.37 116.25 118.13 2hfd h VAL 51 Ca 0.00 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.47 2hfd h VAL 51 Cb 0.00 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 2hfd h VAL 51 CO 0.00 0.01 -0.17 -0.24 0.02 0.00 0.00 177.57 177.19 2hfd n SER 52 N -3.81 0.81 -4.68 0.57 2.88 -1.20 -4.86 113.62 103.33 2hfd n SER 52 Ca -0.03 -0.80 -0.42 0.00 -1.33 0.00 0.00 58.87 56.29 2hfd n SER 52 Cb 0.10 0.03 -0.03 0.00 -0.75 0.00 0.00 64.21 63.56 2hfd n SER 52 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2hfd s ASP 53 N -2.45 7.16 0.09 -3.46 2.15 -0.52 -5.01 116.67 114.63 2hfd s ASP 53 Ca 0.28 1.43 -0.30 0.00 0.43 0.00 0.00 52.55 54.39 2hfd s ASP 53 Cb 0.20 -2.54 -0.06 0.00 -0.30 0.00 0.00 42.92 40.22 2hfd s ASP 53 CO 0.48 -0.51 1.13 0.54 -0.17 0.00 0.00 175.17 176.65 2hfd s ASN 54 N 1.14 7.19 -0.40 -0.34 4.22 -1.26 -4.93 114.94 120.55 2hfd s ASN 54 Ca 0.46 1.98 -0.27 0.00 -2.14 0.00 0.00 52.86 52.88 2hfd s ASN 54 Cb -0.17 -2.59 -0.05 0.00 1.28 0.00 0.00 41.25 39.73 2hfd s ASN 54 CO 0.14 -0.35 2.17 -2.84 -2.04 0.00 0.00 177.10 174.17 2hfd s PRO 55 N 0.60 2.69 -0.23 3.55 0.02 -1.26 -4.77 135.00 135.59 2hfd s PRO 55 Ca 0.55 1.47 0.06 0.00 0.02 0.00 0.00 61.00 63.10 2hfd s PRO 55 Cb -0.28 -4.43 -0.18 0.00 0.02 0.00 0.00 34.50 29.63 2hfd s PRO 55 CO 0.31 -2.62 -0.14 0.28 -0.33 0.00 0.00 177.00 174.50 2hfd n VAL 56 N 7.71 1.39 0.26 3.83 0.31 -1.26 -4.44 118.33 126.13 2hfd n VAL 56 Ca 0.30 -0.62 0.13 0.00 -0.01 0.00 0.00 64.34 64.14 2hfd n VAL 56 Cb 0.50 -1.11 0.73 0.00 -0.91 0.00 0.00 33.84 33.04 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 -0.43 5.55 -0.00 -2.01 -2.20 114.93 115.84 2hfd h MET 57 Ca -0.54 0.00 -0.07 0.00 -0.00 0.00 0.00 59.70 59.08 2hfd h MET 57 Cb 1.95 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 33.53 2hfd h MET 57 CO -0.05 0.12 -0.03 0.82 -0.00 0.00 0.00 176.91 177.77 2hfd h ILE 58 N 0.00 1.24 -0.63 -0.10 1.08 -1.97 -0.71 117.51 116.41 2hfd h ILE 58 Ca -0.00 -1.00 -0.03 0.00 -0.39 0.00 0.00 64.86 63.44 2hfd h ILE 58 Cb 0.36 0.94 -0.03 0.00 -3.07 0.00 0.00 36.82 35.01 2hfd h ILE 58 CO 0.02 0.35 0.28 1.23 -0.69 0.00 0.00 178.15 179.33 2hfd h GLY 59 N 0.96 1.00 2.00 5.37 0.00 -1.64 -1.55 103.07 109.21 2hfd h GLY 59 Ca 0.13 -0.52 -0.17 0.00 0.00 0.00 0.00 47.33 46.77 2hfd h GLY 59 CO 0.02 0.49 -0.81 1.05 0.00 0.00 0.00 176.54 177.30 2hfd h GLU 60 N 0.88 0.00 -0.62 4.80 4.11 -1.62 -3.27 114.58 118.86 2hfd h GLU 60 Ca 0.21 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.60 2hfd h GLU 60 Cb 0.16 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 2hfd h GLU 60 CO -0.02 0.81 0.20 1.25 0.07 0.00 0.00 179.01 181.31 2hfd h LEU 61 N 0.00 0.91 -2.34 3.06 5.85 -0.77 -2.55 115.31 119.46 2hfd h LEU 61 Ca -0.01 -0.20 0.02 0.00 0.84 0.00 0.00 57.88 58.53 2hfd h LEU 61 Cb 1.61 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 42.40 2hfd h LEU 61 CO 0.10 0.87 0.08 -0.07 -0.34 0.00 0.00 178.44 179.08 2hfd h LEU 62 N 0.89 0.00 0.00 2.25 4.07 -1.34 -2.53 115.31 118.65 2hfd h LEU 62 Ca 0.20 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.16 2hfd h LEU 62 Cb 0.28 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.02 2hfd h LEU 62 CO -0.01 0.00 0.00 0.54 -1.08 0.00 0.00 178.44 177.89 2hfd n ARG 63 N -3.88 0.03 0.11 1.13 5.12 -0.96 -1.81 116.66 116.40 2hfd n ARG 63 Ca -0.01 0.34 0.14 0.00 -1.93 0.00 0.00 57.85 56.39 2hfd n ARG 63 Cb 0.18 -1.50 0.66 0.00 -1.16 0.00 0.00 32.46 30.64 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 0.02 -3.24 5.56 4.39 -1.64 -3.33 114.58 116.34 2hfd h GLU 64 Ca 0.00 -0.00 -0.61 0.00 0.34 0.00 0.00 59.36 59.09 2hfd h GLU 64 Cb 0.06 -0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 28.31 2hfd h GLU 64 CO 0.00 0.01 -0.74 -0.06 -1.16 0.00 0.00 179.01 177.07 2hfd s PHE 65 N -5.06 2.08 -2.07 4.33 0.08 -0.75 -4.93 117.98 111.66 2hfd s PHE 65 Ca -0.05 -2.33 0.30 0.00 0.12 0.00 0.00 56.93 54.97 2hfd s PHE 65 Cb 0.18 -1.95 1.55 0.00 -0.57 0.00 0.00 43.02 42.23 2hfd s PHE 65 CO 0.70 -0.81 2.03 -0.35 -0.10 0.00 0.00 175.22 176.69 2hfd n PRO 66 N 3.87 1.12 0.15 0.24 -0.05 -1.25 -3.70 135.00 135.38 2hfd n PRO 66 Ca 0.06 -0.31 0.03 0.00 -0.05 0.00 0.00 63.50 63.23 2hfd n PRO 66 Cb 0.37 -1.49 0.06 0.00 -0.05 0.00 0.00 33.50 32.38 2hfd n PRO 66 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 175.50 175.67 2hfd h ASP 67 N 0.76 0.00 -2.13 3.54 3.58 -1.94 -3.46 116.42 116.77 2hfd h ASP 67 Ca 0.00 0.00 -0.54 0.00 0.42 0.00 0.00 57.03 56.91 2hfd h ASP 67 Cb 0.21 0.00 -0.08 0.00 1.72 0.00 0.00 39.33 41.18 2hfd h ASP 67 CO 0.00 0.47 -0.58 -0.31 -2.88 0.00 0.00 179.24 175.94 2hfd s TYR 68 N -3.03 2.83 -0.36 0.28 2.02 -1.24 -5.09 117.35 112.75 2hfd s TYR 68 Ca 0.04 -0.22 -0.17 0.00 -0.37 0.00 0.00 57.07 56.35 2hfd s TYR 68 Cb 0.08 -1.35 -0.00 0.00 -0.40 0.00 0.00 41.96 40.29 2hfd s TYR 68 CO 0.74 0.53 0.44 0.95 -1.57 0.00 0.00 175.55 176.63 2hfd s THR 69 N -2.28 5.09 -0.80 -0.71 -4.23 -1.26 -5.02 115.64 106.42 2hfd s THR 69 Ca 0.33 0.07 -0.22 0.00 -1.18 0.00 0.00 61.69 60.70 2hfd s THR 69 Cb -0.06 -3.93 0.08 0.00 1.34 0.00 0.00 72.50 69.93 2hfd s THR 69 CO 0.22 -0.22 1.10 0.26 -0.54 0.00 0.00 174.62 175.44 2hfd s TRP 70 N 2.20 2.77 -0.30 3.99 0.52 -1.26 -3.84 118.94 123.02 2hfd s TRP 70 Ca 0.15 -0.82 -0.22 0.00 0.02 0.00 0.00 56.10 55.22 2hfd s TRP 70 Cb -0.16 -4.37 -0.00 0.00 -1.15 0.00 0.00 33.47 27.79 2hfd s TRP 70 CO 0.13 -1.67 0.72 -0.65 0.02 0.00 0.00 176.95 175.50 2hfd s GLN 71 N 3.85 3.97 -0.48 4.98 1.11 -1.22 -4.88 119.66 126.99 2hfd s GLN 71 Ca 0.29 0.50 -0.21 0.00 0.01 0.00 0.00 55.36 55.95 2hfd s GLN 71 Cb -0.10 -3.72 0.04 0.00 -1.01 0.00 0.00 33.01 28.22 2hfd s GLN 71 CO 0.02 -0.61 0.73 0.08 0.01 0.00 0.00 175.29 175.52 2hfd s VAL 72 N 2.79 4.71 -0.19 1.09 1.01 -1.26 -0.87 120.40 127.67 2hfd s VAL 72 Ca 0.29 0.05 -0.06 0.00 0.00 0.00 0.00 61.98 62.26 2hfd s VAL 72 Cb -0.15 -4.33 -0.03 0.00 0.00 0.00 0.00 36.38 31.87 2hfd s VAL 72 CO 0.12 -0.79 0.04 0.00 0.00 0.00 0.00 175.10 174.46 2hfd s ALA 73 N 3.11 3.24 -0.01 5.51 0.00 0.39 -3.76 121.76 130.25 2hfd s ALA 73 Ca 0.24 -0.86 0.05 0.00 0.00 0.00 0.00 51.96 51.39 2hfd s ALA 73 Cb -0.15 -1.86 -0.01 0.00 0.00 0.00 0.00 23.12 21.09 2hfd s ALA 73 CO 0.18 0.03 -0.17 0.96 0.00 0.00 0.00 175.76 176.76 2hfd s ILE 74 N 0.66 1.33 0.25 0.00 -4.36 -1.01 -0.88 121.20 117.19 2hfd s ILE 74 Ca 0.02 -0.76 0.03 0.00 -0.26 0.00 0.00 60.65 59.68 2hfd s ILE 74 Cb -0.14 -1.11 -0.05 0.00 1.25 0.00 0.00 42.46 42.41 2hfd s ILE 74 CO 0.02 0.34 0.03 0.00 0.24 0.00 0.00 174.94 175.57 2hfd s ALA 75 N -0.44 1.88 0.97 2.27 0.00 -1.19 -0.17 121.76 125.09 2hfd s ALA 75 Ca 0.06 -1.84 -0.12 0.00 0.00 0.00 0.00 51.96 50.06 2hfd s ALA 75 Cb -0.07 0.66 0.17 0.00 0.00 0.00 0.00 23.12 23.88 2hfd s ALA 75 CO -0.00 -0.31 1.09 -0.51 0.00 0.00 0.00 175.76 176.03 2hfd s ASP 76 N -3.34 2.87 0.27 0.00 1.11 -1.26 -4.70 116.67 111.63 2hfd s ASP 76 Ca 0.32 1.25 -0.02 0.00 0.18 0.00 0.00 52.55 54.28 2hfd s ASP 76 Cb 0.07 -1.91 0.38 0.00 1.07 0.00 0.00 42.92 42.52 2hfd s ASP 76 CO 0.11 -2.98 1.82 0.25 1.18 0.00 0.00 175.17 175.54 2hfd h LEU 77 N -1.79 0.79 -0.09 1.23 6.46 -1.99 -0.95 115.31 118.98 2hfd h LEU 77 Ca -0.53 -0.14 0.00 0.00 -0.12 0.00 0.00 57.88 57.09 2hfd h LEU 77 Cb 1.32 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 41.03 2hfd h LEU 77 CO 0.57 0.78 0.05 -0.33 -0.62 0.00 0.00 178.44 178.89 2hfd h GLU 78 N 0.82 0.11 -0.24 1.25 5.08 -1.94 0.60 114.58 120.26 2hfd h GLU 78 Ca 0.18 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.48 2hfd h GLU 78 Cb 0.30 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2hfd h GLU 78 CO -0.00 0.07 -0.07 1.96 -1.00 0.00 0.00 179.01 179.97 2hfd h GLN 79 N 0.11 0.47 -0.15 2.33 7.50 -1.88 -2.92 115.11 120.57 2hfd h GLN 79 Ca 0.04 -0.19 -0.09 0.00 0.50 0.00 0.00 58.65 58.91 2hfd h GLN 79 Cb -0.00 -0.02 -0.01 0.00 0.05 0.00 0.00 27.48 27.49 2hfd h GLN 79 CO -0.02 0.71 -0.29 0.66 -1.50 0.00 0.00 178.83 178.39 2hfd h SER 80 N 0.21 0.29 -0.06 1.46 4.64 -1.02 0.21 113.55 119.28 2hfd h SER 80 Ca 0.06 -0.10 -0.00 0.00 -0.47 0.00 0.00 61.79 61.28 2hfd h SER 80 Cb 0.54 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 62.55 2hfd h SER 80 CO 0.03 0.58 0.04 -0.08 -0.87 0.00 0.00 176.83 176.52 2hfd h GLU 81 N 0.26 0.08 -0.59 4.77 4.81 -0.88 0.38 114.58 123.40 2hfd h GLU 81 Ca 0.04 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.21 2hfd h GLU 81 Cb 0.65 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.99 2hfd h GLU 81 CO 0.05 0.08 0.18 0.00 -0.73 0.00 0.00 179.01 178.59 2hfd h ALA 82 N 0.99 0.77 -0.51 2.92 0.00 -1.18 0.25 119.26 122.50 2hfd h ALA 82 Ca 0.02 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 2hfd h ALA 82 Cb 0.02 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2hfd h ALA 82 CO -0.00 0.44 0.02 0.82 0.00 0.00 0.00 179.25 180.53 2hfd h ILE 83 N 0.83 1.26 -0.29 0.00 2.04 -0.46 -0.02 117.51 120.88 2hfd h ILE 83 Ca 0.19 -1.06 -0.06 0.00 1.00 0.00 0.00 64.86 64.93 2hfd h ILE 83 Cb 0.29 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 2hfd h ILE 83 CO -0.00 0.37 -0.05 1.23 0.00 0.00 0.00 178.15 179.70 2hfd h GLY 84 N 0.76 0.59 0.57 5.37 0.00 -0.05 -2.85 103.07 107.47 2hfd h GLY 84 Ca 0.15 -0.47 0.10 0.00 0.00 0.00 0.00 47.33 47.11 2hfd h GLY 84 CO 0.02 0.43 0.64 -1.80 0.00 0.00 0.00 176.54 175.83 2hfd h ASP 85 N 0.31 0.96 -0.82 0.19 3.58 -0.38 0.43 116.42 120.69 2hfd h ASP 85 Ca 0.08 0.03 0.07 0.00 0.42 0.00 0.00 57.03 57.63 2hfd h ASP 85 Cb 0.51 -0.16 -0.05 0.00 1.72 0.00 0.00 39.33 41.35 2hfd h ASP 85 CO 0.02 0.55 0.53 -0.09 -2.88 0.00 0.00 179.24 177.37 2hfd h ARG 86 N 1.05 0.85 0.06 0.28 9.65 -0.77 -2.80 114.38 122.71 2hfd h ARG 86 Ca 0.47 -0.05 -0.34 0.00 -1.10 0.00 0.00 59.98 58.96 2hfd h ARG 86 Cb 0.38 -0.19 -0.04 0.00 -1.39 0.00 0.00 29.97 28.73 2hfd h ARG 86 CO -0.23 0.57 -1.92 0.34 2.80 0.00 0.00 179.97 181.52 2hfd n PHE 87 N -4.49 1.02 0.00 2.20 7.35 -0.59 -4.99 117.46 117.97 2hfd n PHE 87 Ca 0.12 0.28 0.00 0.00 -0.76 0.00 0.00 57.45 57.09 2hfd n PHE 87 Cb 0.22 -1.16 0.00 0.00 0.35 0.00 0.00 39.48 38.90 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 1.81 1.56 3.39 7.13 0.00 0.14 -5.07 105.19 114.15 2hfd n GLY 88 Ca -0.26 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.02 4.92 0.17 1.61 1.01 -0.45 -4.85 120.40 121.79 2hfd s VAL 89 Ca 0.00 -1.36 0.10 0.00 0.00 0.00 0.00 61.98 60.72 2hfd s VAL 89 Cb 0.00 -4.56 -0.04 0.00 0.00 0.00 0.00 36.38 31.78 2hfd s VAL 89 CO 0.00 -1.21 -0.21 0.72 0.00 0.00 0.00 175.10 174.40 2hfd s PHE 90 N 2.30 2.04 -1.59 5.22 -0.71 -1.26 -3.97 117.98 120.00 2hfd s PHE 90 Ca 0.18 -0.41 0.00 0.00 -1.04 0.00 0.00 56.93 55.65 2hfd s PHE 90 Cb -0.17 -1.02 0.00 0.00 -1.21 0.00 0.00 43.02 40.61 2hfd s PHE 90 CO 0.00 0.39 0.00 0.54 -1.34 0.00 0.00 175.22 174.81 2hfd n ARG 91 N 0.38 -1.14 -3.51 1.99 1.74 -1.26 -4.95 116.66 109.91 2hfd n ARG 91 Ca -0.14 0.98 -0.29 0.00 -0.77 0.00 0.00 57.85 57.63 2hfd n ARG 91 Cb 0.56 -5.21 -0.12 0.00 -1.02 0.00 0.00 32.46 26.67 2hfd n ARG 91 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 2hfd s PHE 92 N -2.64 0.92 0.13 -1.55 5.36 -1.26 -5.12 117.98 113.81 2hfd s PHE 92 Ca 0.00 -1.74 -0.30 0.00 -0.96 0.00 0.00 56.93 53.93 2hfd s PHE 92 Cb 0.00 -1.08 -0.07 0.00 -0.34 0.00 0.00 43.02 41.53 2hfd s PHE 92 CO 0.00 -0.82 1.11 -2.14 -1.46 0.00 0.00 175.22 171.91 2hfd s PRO 93 N 0.98 4.55 0.10 10.12 0.02 -1.26 -5.01 135.00 144.50 2hfd s PRO 93 Ca 0.18 1.70 -0.04 0.00 0.02 0.00 0.00 61.00 62.85 2hfd s PRO 93 Cb -0.23 -3.32 0.02 0.00 0.02 0.00 0.00 34.50 30.99 2hfd s PRO 93 CO -0.00 -0.02 0.23 0.00 -0.33 0.00 0.00 177.00 176.87 2hfd n ALA 94 N 2.95 -0.53 -2.57 -1.55 0.00 -1.26 -4.90 120.51 112.65 2hfd n ALA 94 Ca 0.05 -0.33 -0.43 0.00 0.00 0.00 0.00 53.44 52.72 2hfd n ALA 94 Cb 0.47 0.25 -0.09 0.00 0.00 0.00 0.00 19.45 20.08 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 -2.70 5.24 -0.31 0.00 2.01 0.12 -3.21 115.64 116.80 2hfd s THR 95 Ca 0.05 -0.75 -0.17 0.00 0.31 0.00 0.00 61.69 61.13 2hfd s THR 95 Cb -0.01 -3.99 -0.02 0.00 0.01 0.00 0.00 72.50 68.49 2hfd s THR 95 CO 0.03 -0.39 0.46 -0.76 -0.69 0.00 0.00 174.62 173.27 2hfd s LEU 96 N 1.70 4.21 -0.20 4.42 1.43 -0.30 -0.27 118.68 129.67 2hfd s LEU 96 Ca 0.05 0.15 -0.08 0.00 -1.03 0.00 0.00 54.13 53.22 2hfd s LEU 96 Cb -0.20 -2.53 -0.04 0.00 0.03 0.00 0.00 46.19 43.45 2hfd s LEU 96 CO 0.09 -0.34 0.09 0.54 0.23 0.00 0.00 176.35 176.96 2hfd s VAL 97 N 2.24 4.97 -0.06 -1.59 0.11 -1.03 -0.45 120.40 124.58 2hfd s VAL 97 Ca 0.17 0.03 0.05 0.00 -2.93 0.00 0.00 61.98 59.31 2hfd s VAL 97 Cb -0.16 -3.26 -0.01 0.00 -1.53 0.00 0.00 36.38 31.43 2hfd s VAL 97 CO 0.11 0.43 -0.23 -0.36 -3.33 0.00 0.00 175.10 171.73 2hfd s PHE 98 N 0.52 2.30 -0.15 1.54 0.08 -1.01 -1.65 117.98 119.62 2hfd s PHE 98 Ca 0.05 -0.74 0.02 0.00 0.12 0.00 0.00 56.93 56.38 2hfd s PHE 98 Cb -0.12 -1.52 0.01 0.00 -0.57 0.00 0.00 43.02 40.82 2hfd s PHE 98 CO 0.00 -0.25 -0.21 0.95 -0.10 0.00 0.00 175.22 175.61 2hfd s THR 99 N 0.00 2.06 -1.79 0.64 -4.23 0.41 -2.98 115.64 109.75 2hfd s THR 99 Ca -0.07 -0.97 0.00 0.00 -1.18 0.00 0.00 61.69 59.47 2hfd s THR 99 Cb -0.14 -1.83 0.00 0.00 1.34 0.00 0.00 72.50 71.87 2hfd s THR 99 CO 0.04 0.55 0.00 0.61 -0.54 0.00 0.00 174.62 175.28 2hfd n GLY 100 N 4.21 1.14 2.58 3.99 0.00 -1.26 -0.80 105.19 115.05 2hfd n GLY 100 Ca -0.20 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.85 0.89 3.88 -0.02 0.00 -1.26 -5.01 105.19 102.83 2hfd n GLY 101 Ca -0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.86 6.30 -0.23 1.61 0.02 0.02 -5.04 114.94 114.76 2hfd s ASN 102 Ca 0.00 0.38 -0.29 0.00 -1.02 0.00 0.00 52.86 51.94 2hfd s ASN 102 Cb 0.00 -1.99 -0.04 0.00 0.02 0.00 0.00 41.25 39.24 2hfd s ASN 102 CO 0.00 0.33 1.86 -0.47 0.02 0.00 0.00 177.10 178.85 2hfd s TYR 103 N -1.17 1.68 -0.19 2.20 5.04 -1.26 -0.45 117.35 123.21 2hfd s TYR 103 Ca 0.21 0.46 -0.23 0.00 -2.44 0.00 0.00 57.07 55.07 2hfd s TYR 103 Cb -0.12 -4.05 -0.21 0.00 0.35 0.00 0.00 41.96 37.93 2hfd s TYR 103 CO 0.11 -3.51 0.35 -0.09 -1.34 0.00 0.00 175.55 171.07 2hfd h ARG 104 N 12.52 0.01 0.00 4.97 9.65 -1.65 -3.47 114.38 136.42 2hfd h ARG 104 Ca -0.37 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.49 2hfd h ARG 104 Cb 1.19 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.77 2hfd h ARG 104 CO 0.99 1.01 0.00 0.41 2.80 0.00 0.00 179.97 185.18 2hfd n GLY 105 N 1.49 -1.31 3.19 2.80 0.00 -1.17 -4.99 105.19 105.18 2hfd n GLY 105 Ca -0.27 -0.93 -0.28 0.00 0.00 0.00 0.00 46.02 44.54 2hfd n GLY 105 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hfd s VAL 106 N -2.69 1.62 0.22 1.61 0.11 -1.26 -2.47 120.40 117.53 2hfd s VAL 106 Ca 0.00 -0.84 0.10 0.00 -2.93 0.00 0.00 61.98 58.32 2hfd s VAL 106 Cb 0.00 -1.37 -0.05 0.00 -1.53 0.00 0.00 36.38 33.43 2hfd s VAL 106 CO 0.00 0.46 -0.19 -0.76 -3.33 0.00 0.00 175.10 171.28 2hfd s LEU 107 N -0.14 2.52 0.01 2.54 1.43 0.63 -4.98 118.68 120.68 2hfd s LEU 107 Ca -0.01 -0.95 0.03 0.00 -1.03 0.00 0.00 54.13 52.17 2hfd s LEU 107 Cb -0.11 -0.96 -0.01 0.00 0.03 0.00 0.00 46.19 45.13 2hfd s LEU 107 CO 0.02 -0.00 -0.10 0.20 0.23 0.00 0.00 176.35 176.69 2hfd s ASN 108 N -3.10 1.23 0.90 2.29 -0.87 -1.26 0.15 114.94 114.28 2hfd s ASN 108 Ca 0.23 -0.29 -0.12 0.00 -1.57 0.00 0.00 52.86 51.12 2hfd s ASN 108 Cb -0.05 -0.10 0.13 0.00 -0.02 0.00 0.00 41.25 41.21 2hfd s ASN 108 CO 0.10 0.06 1.09 -0.83 -2.57 0.00 0.00 177.10 174.95 2hfd s GLY 109 N -0.62 1.61 -0.30 0.66 0.00 -1.26 -4.62 107.32 102.80 2hfd s GLY 109 Ca 0.02 -0.11 -0.00 0.00 0.00 0.00 0.00 44.72 44.62 2hfd s GLY 109 CO 0.00 0.39 0.01 1.39 0.00 0.00 0.00 173.10 174.90 2hfd n ILE 110 N -3.90-11.61 -3.61 0.90 -0.00 -1.26 -5.09 119.36 94.79 2hfd n ILE 110 Ca 0.07 1.76 -0.16 0.00 -0.00 0.00 0.00 62.75 64.41 2hfd n ILE 110 Cb 0.56 -6.82 -0.07 0.00 -0.00 0.00 0.00 39.64 33.30 2hfd n ILE 110 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.55 175.55 2hfd s HIS 111 N -1.58 -0.47 0.30 1.39 3.76 -1.26 -5.14 115.29 112.28 2hfd s HIS 111 Ca 0.01 0.78 -0.29 0.00 -0.15 0.00 0.00 55.06 55.40 2hfd s HIS 111 Cb -0.00 0.29 -0.12 0.00 1.11 0.00 0.00 32.58 33.86 2hfd s HIS 111 CO 0.75 -0.53 1.44 -0.35 -0.85 0.00 0.00 174.74 175.21 2hfd n PRO 112 N 1.02 2.36 -0.22 8.40 -0.04 -1.26 -4.81 135.00 140.46 2hfd n PRO 112 Ca -0.20 0.83 -0.05 0.00 -0.04 0.00 0.00 63.50 64.04 2hfd n PRO 112 Cb 0.57 -2.52 0.05 0.00 -0.04 0.00 0.00 33.50 31.56 2hfd n PRO 112 CO 0.00 0.00 0.00 2.35 -0.04 0.00 0.00 175.50 177.81 2hfd h TRP 113 N 3.74 0.75 -0.85 0.54 -0.00 -2.01 0.26 115.95 118.39 2hfd h TRP 113 Ca -0.47 0.02 0.00 0.00 -0.00 0.00 0.00 58.89 58.44 2hfd h TRP 113 Cb 1.26 -0.25 -0.04 0.00 -0.00 0.00 0.00 29.16 30.13 2hfd h TRP 113 CO 0.55 0.45 0.54 0.00 -0.00 0.00 0.00 178.44 179.98 2hfd h ALA 114 N 1.25 1.08 -0.20 2.65 0.00 -2.00 0.12 119.26 122.16 2hfd h ALA 114 Ca 0.24 -0.08 -0.20 0.00 0.00 0.00 0.00 54.91 54.87 2hfd h ALA 114 Cb -0.04 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.41 2hfd h ALA 114 CO -0.07 0.52 -0.68 1.49 0.00 0.00 0.00 179.25 180.51 2hfd h GLU 115 N 1.16 0.78 -0.39 0.00 4.81 -1.77 -2.74 114.58 116.42 2hfd h GLU 115 Ca 0.31 -0.57 -0.02 0.00 -0.13 0.00 0.00 59.36 58.95 2hfd h GLU 115 Cb -0.09 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 2hfd h GLU 115 CO -0.06 1.19 0.17 1.25 -0.73 0.00 0.00 179.01 180.83 2hfd h LEU 116 N 0.56 0.53 -0.02 1.64 5.85 0.03 -1.69 115.31 122.22 2hfd h LEU 116 Ca -0.02 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.55 2hfd h LEU 116 Cb 1.29 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 42.18 2hfd h LEU 116 CO 0.14 0.53 0.01 0.40 -0.34 0.00 0.00 178.44 179.18 2hfd h ILE 117 N 0.49 1.04 -0.13 4.05 2.04 -1.04 -1.60 117.51 122.35 2hfd h ILE 117 Ca 0.13 -0.11 0.05 0.00 1.00 0.00 0.00 64.86 65.93 2hfd h ILE 117 Cb 0.15 1.08 -0.07 0.00 -0.74 0.00 0.00 36.82 37.25 2hfd h ILE 117 CO -0.01 0.03 -0.38 -1.13 0.00 0.00 0.00 178.15 176.66 2hfd h ASN 118 N -0.02 -1.18 -0.47 1.72 -1.24 -1.20 0.24 115.58 113.44 2hfd h ASN 118 Ca 0.01 0.16 -0.05 0.00 0.71 0.00 0.00 56.30 57.13 2hfd h ASN 118 Cb 0.04 0.49 -0.02 0.00 0.73 0.00 0.00 38.32 39.56 2hfd h ASN 118 CO -0.00 -0.40 0.09 -0.07 -1.29 0.00 0.00 177.43 175.77 2hfd h LEU 119 N -0.45 0.73 -0.17 0.34 3.38 -1.31 0.07 115.31 117.91 2hfd h LEU 119 Ca 0.09 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 2hfd h LEU 119 Cb 0.59 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2hfd h LEU 119 CO -0.38 0.79 0.02 -0.03 0.09 0.00 0.00 178.44 178.92 2hfd h MET 120 N 0.64 0.28 -0.17 1.13 4.05 -0.84 -0.16 114.93 119.86 2hfd h MET 120 Ca 0.14 -0.08 -0.07 0.00 -0.28 0.00 0.00 59.70 59.42 2hfd h MET 120 Cb 0.36 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.11 2hfd h MET 120 CO 0.01 0.47 -0.19 -0.09 0.23 0.00 0.00 176.91 177.33 2hfd h ARG 121 N 0.06 0.29 -0.04 0.39 2.43 -0.50 0.57 114.38 117.57 2hfd h ARG 121 Ca 0.05 -0.08 -0.12 0.00 -0.81 0.00 0.00 59.98 59.02 2hfd h ARG 121 Cb 0.33 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 2hfd h ARG 121 CO 0.00 0.48 -0.52 0.78 -1.51 0.00 0.00 179.97 179.21 2hfd h GLY 122 N 0.89 0.12 0.22 2.80 0.00 -0.65 -0.51 103.07 105.95 2hfd h GLY 122 Ca 0.05 -0.13 -0.00 0.00 0.00 0.00 0.00 47.33 47.24 2hfd h GLY 122 CO 0.03 0.12 -0.03 1.41 0.00 0.00 0.00 176.54 178.07 2hfd h LEU 123 N 0.09 -0.08 -0.85 3.11 3.38 -0.02 -3.33 115.31 117.61 2hfd h LEU 123 Ca 0.00 -0.53 -0.07 0.00 0.09 0.00 0.00 57.88 57.37 2hfd h LEU 123 Cb 0.95 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.69 2hfd h LEU 123 CO 0.07 0.60 0.12 -0.37 0.09 0.00 0.00 178.44 178.95 2hfd h VAL 124 N -0.88 1.25 -6.04 1.22 -1.51 -1.00 -3.48 116.25 105.81 2hfd h VAL 124 Ca -0.01 -0.95 -0.11 0.00 -1.23 0.00 0.00 66.70 64.40 2hfd h VAL 124 Cb 0.61 0.66 0.01 0.00 -2.13 0.00 0.00 31.29 30.43 2hfd h VAL 124 CO 0.02 0.35 -1.00 1.21 -1.23 0.00 0.00 177.57 176.92 2hfd n GLU 125 N -4.24 -1.66 -1.90 5.19 2.13 -0.20 -4.99 120.64 114.98 2hfd n GLU 125 Ca 0.04 1.53 -0.30 0.00 0.66 0.00 0.00 57.16 59.10 2hfd n GLU 125 Cb 0.26 -2.77 0.18 0.00 0.27 0.00 0.00 31.44 29.38 2hfd n GLU 125 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 2hfd s PRO 126 N -1.76 0.70 0.00 5.31 0.04 -1.26 -4.94 135.00 133.08 2hfd s PRO 126 Ca 0.15 -0.35 0.27 0.00 0.04 0.00 0.00 61.00 61.10 2hfd s PRO 126 Cb -0.02 -1.85 1.35 0.00 0.04 0.00 0.00 34.50 34.02 2hfd s PRO 126 CO 0.51 -2.38 1.91 1.04 0.04 0.00 0.00 177.00 178.12 2hfd n GLN 127 N -3.76 0.39 -3.14 4.56 1.13 -1.26 -4.93 117.38 110.36 2hfd n GLN 127 Ca 0.14 0.03 -0.06 0.00 -1.94 0.00 0.00 57.00 55.18 2hfd n GLN 127 Cb 0.60 -1.50 0.02 0.00 0.11 0.00 0.00 30.24 29.47 2hfd n GLN 127 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56 2hfd n GLN 128 N -1.28 -1.59 -0.34 -1.09 7.27 -1.26 -4.94 117.38 114.15 2hfd n GLN 128 Ca 0.13 1.28 0.07 0.00 0.07 0.00 0.00 57.00 58.55 2hfd n GLN 128 Cb 0.21 -5.68 0.22 0.00 2.41 0.00 0.00 30.24 27.41 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 -2.26 3.01 -3.98 3.69 4.07 -1.26 -4.84 120.64 119.07 2hfd n GLU 129 Ca -0.03 -2.46 -0.31 0.00 -0.06 0.00 0.00 57.16 54.30 2hfd n GLU 129 Cb 0.54 -1.57 -0.15 0.00 -0.06 0.00 0.00 31.44 30.20 2hfd n GLU 129 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 2hfd s ARG 130 N -1.79 1.38 0.31 5.31 0.52 -1.26 -5.06 118.95 118.37 2hfd s ARG 130 Ca 0.34 -1.77 0.00 0.00 -0.52 0.00 0.00 55.73 53.78 2hfd s ARG 130 Cb 0.23 -3.04 0.00 0.00 0.52 0.00 0.00 34.95 32.66 2hfd s ARG 130 CO 0.14 -0.95 0.00 0.00 0.02 0.00 0.00 175.30 174.52 2hfd n ALA 131 N 4.33 -2.84 0.70 2.13 0.00 -1.26 -5.21 120.51 118.36 2hfd n ALA 131 Ca 0.03 0.44 0.08 0.00 0.00 0.00 0.00 53.44 54.00 2hfd n ALA 131 Cb 0.42 -1.04 0.07 0.00 0.00 0.00 0.00 19.45 18.90 2hfd n ALA 131 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93