#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 -5.80 -4.63 6.12 7.64 -1.26 -5.02 113.62 110.67 2hfd n SER 2 Ca 0.00 -0.87 -0.29 0.00 1.01 0.00 0.00 58.87 58.72 2hfd n SER 2 Cb 0.00 -4.22 -0.10 0.00 -1.01 0.00 0.00 64.21 58.88 2hfd n SER 2 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2hfd s ASN 3 N -3.46 3.83 0.00 6.43 2.47 -1.26 -4.31 114.94 118.64 2hfd s ASN 3 Ca 0.46 -1.43 0.00 0.00 0.42 0.00 0.00 52.86 52.30 2hfd s ASN 3 Cb -0.12 -0.19 0.00 0.00 -1.45 0.00 0.00 41.25 39.49 2hfd s ASN 3 CO 0.81 -0.54 0.00 0.47 -3.72 0.00 0.00 177.10 174.11 2hfd n ASP 4 N -1.02 -3.35 0.18 -4.21 8.00 -1.26 -4.54 116.55 110.37 2hfd n ASP 4 Ca -0.08 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.42 2hfd n ASP 4 Cb 0.67 -1.93 0.00 0.00 -0.02 0.00 0.00 41.12 39.84 2hfd n ASP 4 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2hfd n THR 5 N -2.33 0.00 0.25 -3.53 -1.04 -1.26 -4.76 114.28 101.61 2hfd n THR 5 Ca 0.00 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.89 2hfd n THR 5 Cb 0.20 -0.28 -0.06 0.00 -1.82 0.00 0.00 70.33 68.37 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 -0.67 -0.37 -2.82 0.11 -1.80 -0.20 132.00 126.25 2hfd h PRO 6 Ca 0.00 0.05 -0.06 0.00 0.11 0.00 0.00 66.00 66.10 2hfd h PRO 6 Cb 0.00 0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.24 2hfd h PRO 6 CO 0.00 -0.40 -0.01 0.35 -0.21 0.00 0.00 178.00 177.73 2hfd h PHE 7 N -1.13 0.61 0.38 0.65 3.57 -1.91 -1.60 116.94 117.51 2hfd h PHE 7 Ca -0.07 -0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.34 2hfd h PHE 7 Cb 0.58 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 39.14 2hfd h PHE 7 CO 0.01 0.60 -0.21 0.22 -2.23 0.00 0.00 178.31 176.69 2hfd h ASP 8 N 0.56 -0.53 -0.17 0.41 1.82 -1.85 0.14 116.42 116.80 2hfd h ASP 8 Ca 0.12 0.03 -0.01 0.00 -0.39 0.00 0.00 57.03 56.78 2hfd h ASP 8 Cb 0.37 0.15 -0.01 0.00 0.68 0.00 0.00 39.33 40.53 2hfd h ASP 8 CO 0.01 -0.35 0.08 0.00 -1.61 0.00 0.00 179.24 177.38 2hfd h ALA 9 N 0.05 0.22 -0.94 -0.78 0.00 -0.93 -0.32 119.26 116.57 2hfd h ALA 9 Ca -0.04 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.80 2hfd h ALA 9 Cb 0.45 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 2hfd h ALA 9 CO 0.06 -0.22 0.62 -0.07 0.00 0.00 0.00 179.25 179.63 2hfd h LEU 10 N 0.15 1.07 -0.28 0.00 -0.00 -1.16 0.24 115.31 115.33 2hfd h LEU 10 Ca 0.06 -0.02 -0.10 0.00 -0.00 0.00 0.00 57.88 57.82 2hfd h LEU 10 Cb 0.11 -0.26 -0.01 0.00 -0.00 0.00 0.00 40.66 40.50 2hfd h LEU 10 CO -0.01 0.77 -0.21 -0.25 -0.00 0.00 0.00 178.44 178.75 2hfd h TRP 11 N 1.26 0.75 -0.24 1.13 7.01 -0.53 -2.79 115.95 122.55 2hfd h TRP 11 Ca 0.35 -0.21 -0.03 0.00 2.11 0.00 0.00 58.89 61.12 2hfd h TRP 11 Cb -0.12 -0.16 -0.01 0.00 -2.10 0.00 0.00 29.16 26.76 2hfd h TRP 11 CO -0.01 0.91 0.03 1.96 -2.79 0.00 0.00 178.44 178.54 2hfd h GLN 12 N 0.37 0.34 0.19 2.65 1.08 -0.54 0.69 115.11 119.88 2hfd h GLN 12 Ca 0.05 -0.05 0.01 0.00 -1.45 0.00 0.00 58.65 57.21 2hfd h GLN 12 Cb 0.75 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 28.10 2hfd h GLN 12 CO 0.06 0.35 -0.20 0.00 -0.95 0.00 0.00 178.83 178.08 2hfd h ARG 13 N 0.34 -0.41 -0.18 1.46 2.47 -0.29 -0.92 114.38 116.84 2hfd h ARG 13 Ca 0.08 0.03 -0.08 0.00 -1.26 0.00 0.00 59.98 58.75 2hfd h ARG 13 Cb 0.18 0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.58 2hfd h ARG 13 CO 0.00 -0.27 -0.25 0.52 0.56 0.00 0.00 179.97 180.53 2hfd h MET 14 N -0.43 0.32 0.00 0.04 2.86 -1.20 -2.65 114.93 113.87 2hfd h MET 14 Ca 0.00 -0.11 -0.03 0.00 -2.06 0.00 0.00 59.70 57.50 2hfd h MET 14 Cb 0.41 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.04 2hfd h MET 14 CO -0.06 0.55 -0.16 -0.07 1.06 0.00 0.00 176.91 178.23 2hfd h LEU 15 N 0.29 0.00 -1.53 1.22 -0.00 -0.47 -3.01 115.31 111.81 2hfd h LEU 15 Ca 0.05 0.00 0.02 0.00 -0.00 0.00 0.00 57.88 57.94 2hfd h LEU 15 Cb 0.60 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.23 2hfd h LEU 15 CO 0.04 0.16 0.34 0.00 -0.00 0.00 0.00 178.44 178.98 2hfd h ALA 16 N 1.84 1.70 -0.00 1.53 0.00 -0.80 0.24 119.26 123.77 2hfd h ALA 16 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2hfd h ALA 16 Cb 0.49 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2hfd h ALA 16 CO 0.02 0.26 -0.03 0.54 0.00 0.00 0.00 179.25 180.04 2hfd n ARG 17 N -4.47 0.66 -0.80 0.00 1.74 -1.14 -4.89 116.66 107.77 2hfd n ARG 17 Ca 0.05 -0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 2hfd n ARG 17 Cb 0.10 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.04 2hfd n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2hfd n GLY 18 N 1.21 0.89 3.79 -0.13 0.00 0.07 -5.05 105.19 105.97 2hfd n GLY 18 Ca 0.17 -0.53 -0.35 0.00 0.00 0.00 0.00 46.02 45.30 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 3.05 -0.16 1.61 0.51 -1.25 -5.01 118.94 115.69 2hfd s TRP 19 Ca 0.00 1.59 -0.13 0.00 -2.12 0.00 0.00 56.10 55.44 2hfd s TRP 19 Cb 0.00 -3.14 -0.05 0.00 -0.81 0.00 0.00 33.47 29.47 2hfd s TRP 19 CO 0.00 -0.89 0.26 0.95 -0.51 0.00 0.00 176.95 176.77 2hfd s THR 20 N -1.80 5.32 0.34 2.01 -4.23 -1.12 -4.75 115.64 111.41 2hfd s THR 20 Ca 0.64 0.49 -0.25 0.00 -1.18 0.00 0.00 61.69 61.38 2hfd s THR 20 Cb -0.20 -3.60 -0.10 0.00 1.34 0.00 0.00 72.50 69.94 2hfd s THR 20 CO 0.25 0.40 0.96 -2.84 -0.54 0.00 0.00 174.62 172.85 2hfd s PRO 21 N 0.40 4.50 0.01 3.99 0.02 -1.25 -1.60 135.00 141.06 2hfd s PRO 21 Ca 0.15 1.34 0.01 0.00 0.02 0.00 0.00 61.00 62.52 2hfd s PRO 21 Cb -0.13 -2.71 -0.01 0.00 0.02 0.00 0.00 34.50 31.67 2hfd s PRO 21 CO 0.03 0.19 -0.04 0.54 -0.33 0.00 0.00 177.00 177.39 2hfd s VAL 22 N -1.67 0.29 0.44 3.83 0.11 -0.25 -4.87 120.40 118.28 2hfd s VAL 22 Ca 0.52 -0.50 0.02 0.00 -2.93 0.00 0.00 61.98 59.10 2hfd s VAL 22 Cb -0.18 -0.31 0.00 0.00 -1.53 0.00 0.00 36.38 34.36 2hfd s VAL 22 CO 0.23 -0.14 0.64 -0.44 -3.33 0.00 0.00 175.10 172.06 2hfd s SER 23 N -0.69 5.74 0.08 3.54 0.01 -1.26 -4.33 113.70 116.79 2hfd s SER 23 Ca -0.05 0.08 -0.31 0.00 1.31 0.00 0.00 55.95 56.98 2hfd s SER 23 Cb -0.05 -1.28 -0.17 0.00 0.21 0.00 0.00 66.02 64.73 2hfd s SER 23 CO -0.00 -0.73 1.65 -0.08 0.41 0.00 0.00 173.24 174.48 2hfd h GLU 24 N 0.46 -0.69 0.00 12.44 4.22 -1.96 0.16 114.58 129.20 2hfd h GLU 24 Ca -0.45 0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.04 2hfd h GLU 24 Cb 1.26 0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.67 2hfd h GLU 24 CO 0.54 -0.46 0.00 0.43 -2.18 0.00 0.00 179.01 177.34 2hfd n SER 25 N -5.41 0.00 0.00 1.04 7.64 -1.26 -1.95 113.62 113.69 2hfd n SER 25 Ca -0.12 -1.09 0.00 0.00 1.01 0.00 0.00 58.87 58.67 2hfd n SER 25 Cb 0.30 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.50 2hfd n SER 25 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2hfd n ARG 26 N -0.68 0.05 -0.13 1.43 5.12 -0.70 -4.65 116.66 117.09 2hfd n ARG 26 Ca 0.06 -0.30 -0.05 0.00 -1.93 0.00 0.00 57.85 55.63 2hfd n ARG 26 Cb 0.03 -0.77 0.04 0.00 -1.16 0.00 0.00 32.46 30.59 2hfd n ARG 26 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 2hfd h LEU 27 N 0.00 0.17 -0.39 0.55 7.12 -0.04 0.19 115.31 122.91 2hfd h LEU 27 Ca 0.00 0.05 -0.17 0.00 0.13 0.00 0.00 57.88 57.89 2hfd h LEU 27 Cb 0.14 0.03 -0.02 0.00 -0.53 0.00 0.00 40.66 40.27 2hfd h LEU 27 CO 0.00 0.13 -0.79 -0.78 -0.13 0.00 0.00 178.44 176.87 2hfd h ASP 28 N 0.33 0.00 0.50 1.25 3.58 -1.85 0.05 116.42 120.28 2hfd h ASP 28 Ca 0.20 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.62 2hfd h ASP 28 Cb 0.18 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.23 2hfd h ASP 28 CO -0.20 0.79 -0.24 -0.78 -2.88 0.00 0.00 179.24 175.94 2hfd h ASP 29 N 0.00 -0.57 0.43 2.28 3.58 -1.67 -1.81 116.42 118.66 2hfd h ASP 29 Ca -0.01 -0.01 -0.08 0.00 0.42 0.00 0.00 57.03 57.36 2hfd h ASP 29 Cb 1.42 0.15 -0.01 0.00 1.72 0.00 0.00 39.33 42.60 2hfd h ASP 29 CO 0.10 -0.37 -0.36 -0.50 -2.88 0.00 0.00 179.24 175.24 2hfd h TRP 30 N -0.72 0.00 0.00 0.28 4.06 -0.65 -2.79 115.95 116.12 2hfd h TRP 30 Ca -0.07 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 60.83 2hfd h TRP 30 Cb 0.54 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.69 2hfd h TRP 30 CO -0.03 0.36 -0.26 1.25 -3.56 0.00 0.00 178.44 176.20 2hfd h LEU 31 N 0.00 0.00 0.00 -4.49 5.85 -0.62 0.40 115.31 116.46 2hfd h LEU 31 Ca -0.00 0.00 -0.28 0.00 0.84 0.00 0.00 57.88 58.43 2hfd h LEU 31 Cb 0.67 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.66 2hfd h LEU 31 CO 0.05 0.26 -1.62 0.00 -0.34 0.00 0.00 178.44 176.79 2hfd h THR 32 N 0.00 0.96 0.00 1.05 1.03 -1.09 -3.37 112.91 111.49 2hfd h THR 32 Ca -0.00 -2.79 -0.26 0.00 -0.01 0.00 0.00 66.41 63.34 2hfd h THR 32 Cb 0.50 2.48 -0.04 0.00 -1.07 0.00 0.00 68.15 70.01 2hfd h THR 32 CO 0.03 0.56 -1.63 0.00 -0.01 0.00 0.00 175.52 174.47 2hfd n GLN 33 N -3.10 0.63 -3.85 0.00 6.02 -1.09 -4.91 117.38 111.09 2hfd n GLN 33 Ca -0.15 0.28 -0.23 0.00 -0.01 0.00 0.00 57.00 56.89 2hfd n GLN 33 Cb 1.04 -1.80 -0.02 0.00 1.02 0.00 0.00 30.24 30.48 2hfd n GLN 33 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2hfd s ALA 34 N -2.68 3.90 0.55 -1.58 0.00 0.14 -5.09 121.76 117.00 2hfd s ALA 34 Ca -0.04 -1.09 -0.20 0.00 0.00 0.00 0.00 51.96 50.64 2hfd s ALA 34 Cb 0.08 -1.83 -0.05 0.00 0.00 0.00 0.00 23.12 21.32 2hfd s ALA 34 CO 0.82 0.31 1.17 -1.25 0.00 0.00 0.00 175.76 176.81 2hfd s PRO 35 N -3.75 3.25 -0.35 0.00 0.04 -1.26 -4.68 135.00 128.25 2hfd s PRO 35 Ca 0.35 1.72 -0.29 0.00 0.04 0.00 0.00 61.00 62.83 2hfd s PRO 35 Cb -0.10 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.42 2hfd s PRO 35 CO 0.30 -0.96 1.39 0.16 0.04 0.00 0.00 177.00 177.93 2hfd s ASP 36 N -1.64 6.46 0.00 6.66 -4.77 -1.26 -4.26 116.67 117.86 2hfd s ASP 36 Ca 0.74 1.04 0.00 0.00 -3.30 0.00 0.00 52.55 51.03 2hfd s ASP 36 Cb -0.27 -2.54 0.00 0.00 -1.09 0.00 0.00 42.92 39.02 2hfd s ASP 36 CO 0.30 -1.29 0.00 0.61 0.70 0.00 0.00 175.17 175.49 2hfd n GLY 37 N 4.76 2.09 3.00 2.12 0.00 -1.25 -4.64 105.19 111.27 2hfd n GLY 37 Ca 0.16 -0.20 -0.16 0.00 0.00 0.00 0.00 46.02 45.83 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 1.79 0.52 -0.07 1.61 -7.23 -0.17 -0.04 120.40 116.81 2hfd s VAL 38 Ca 0.00 -0.50 0.03 0.00 -1.81 0.00 0.00 61.98 59.70 2hfd s VAL 38 Cb 0.00 -0.48 0.01 0.00 0.56 0.00 0.00 36.38 36.47 2hfd s VAL 38 CO 0.00 -0.00 -0.15 -0.69 -0.31 0.00 0.00 175.10 173.94 2hfd s VAL 39 N -0.49 1.37 -0.06 1.32 1.01 0.32 -0.74 120.40 123.14 2hfd s VAL 39 Ca -0.01 -0.62 -0.04 0.00 0.00 0.00 0.00 61.98 61.31 2hfd s VAL 39 Cb -0.04 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 35.07 2hfd s VAL 39 CO 0.00 0.41 0.14 -0.76 0.00 0.00 0.00 175.10 174.89 2hfd s LEU 40 N 0.56 4.26 0.00 3.92 1.02 -1.09 0.14 118.68 127.49 2hfd s LEU 40 Ca -0.15 0.35 0.27 0.00 0.02 0.00 0.00 54.13 54.62 2hfd s LEU 40 Cb -0.16 -2.30 1.24 0.00 0.02 0.00 0.00 46.19 44.98 2hfd s LEU 40 CO 0.05 0.33 1.84 -0.11 0.02 0.00 0.00 176.35 178.48 2hfd n LEU 41 N 1.46 0.98 -1.47 1.79 -0.00 0.19 -4.19 117.00 115.75 2hfd n LEU 41 Ca -0.15 -0.35 0.19 0.00 -0.00 0.00 0.00 56.01 55.70 2hfd n LEU 41 Cb 0.54 -0.02 -0.07 0.00 -0.00 0.00 0.00 43.42 43.87 2hfd n LEU 41 CO 0.37 0.17 -0.47 -1.54 -0.00 0.00 0.00 177.39 175.93 2hfd n SER 42 N -0.21 -8.76 -1.01 1.96 3.41 -1.26 -4.76 113.62 102.98 2hfd n SER 42 Ca 0.19 1.05 0.10 0.00 -0.26 0.00 0.00 58.87 59.95 2hfd n SER 42 Cb 0.26 -4.75 -0.02 0.00 -0.26 0.00 0.00 64.21 59.43 2hfd n SER 42 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2hfd n SER 43 N -4.36 -6.02 -3.80 4.04 2.88 -1.26 -4.29 113.62 100.81 2hfd n SER 43 Ca -0.04 0.78 -0.12 0.00 -1.33 0.00 0.00 58.87 58.16 2hfd n SER 43 Cb 0.69 -2.20 -0.08 0.00 -0.75 0.00 0.00 64.21 61.86 2hfd n SER 43 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2hfd s ASP 44 N -5.32 -0.08 1.03 -3.46 2.15 -1.26 -4.58 116.67 105.14 2hfd s ASP 44 Ca 0.00 -0.15 -0.25 0.00 0.43 0.00 0.00 52.55 52.59 2hfd s ASP 44 Cb 0.00 0.30 -0.12 0.00 -0.30 0.00 0.00 42.92 42.80 2hfd s ASP 44 CO 0.00 -0.51 -1.10 -2.65 -0.17 0.00 0.00 175.17 170.74 2hfd n PRO 45 N 0.97 -0.40 0.16 4.34 -0.02 -1.26 -4.89 135.00 133.89 2hfd n PRO 45 Ca -0.20 -0.11 0.05 0.00 -2.02 0.00 0.00 63.50 61.21 2hfd n PRO 45 Cb 0.58 -1.19 0.06 0.00 -0.02 0.00 0.00 33.50 32.93 2hfd n PRO 45 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2hfd h LYS 46 N -1.27 0.00 0.00 -0.52 3.11 -1.97 -3.18 116.57 112.73 2hfd h LYS 46 Ca -0.43 0.00 -0.03 0.00 -2.81 0.00 0.00 60.65 57.38 2hfd h LYS 46 Cb 1.38 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.61 2hfd h LYS 46 CO 0.26 0.37 -0.15 -0.09 -2.81 0.00 0.00 179.45 177.03 2hfd h ARG 47 N 0.00 0.00 -6.43 1.90 2.43 -1.99 -3.43 114.38 106.87 2hfd h ARG 47 Ca -0.00 0.00 -0.54 0.00 -0.81 0.00 0.00 59.98 58.63 2hfd h ARG 47 Cb 1.28 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.84 2hfd h ARG 47 CO 0.05 0.15 0.75 0.99 -1.51 0.00 0.00 179.97 180.39 2hfd s THR 48 N -4.55 3.74 0.29 0.20 2.01 -1.21 -4.92 115.64 111.20 2hfd s THR 48 Ca -0.04 1.17 0.04 0.00 0.31 0.00 0.00 61.69 63.18 2hfd s THR 48 Cb 0.15 -3.75 0.29 0.00 0.01 0.00 0.00 72.50 69.20 2hfd s THR 48 CO 0.66 0.04 1.69 1.55 -0.69 0.00 0.00 174.62 177.87 2hfd h PRO 49 N 7.38 0.37 0.00 4.92 0.13 -1.92 -3.41 132.00 139.48 2hfd h PRO 49 Ca -0.39 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2hfd h PRO 49 Cb 1.19 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2hfd h PRO 49 CO 0.88 0.25 0.00 -1.91 -0.23 0.00 0.00 178.00 176.98 2hfd n GLU 50 N -5.06 0.00 0.03 0.86 2.13 -1.26 -5.13 120.64 112.22 2hfd n GLU 50 Ca 0.22 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.04 2hfd n GLU 50 Cb 0.67 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.38 2hfd n GLU 50 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2hfd n VAL 51 N 0.00 0.00 -0.02 6.31 0.31 -1.26 -4.99 118.33 118.69 2hfd n VAL 51 Ca 0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.17 2hfd n VAL 51 Cb 0.00 -0.06 -0.10 0.00 -0.91 0.00 0.00 33.84 32.77 2hfd n VAL 51 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 2hfd h SER 52 N 0.00 0.53 0.00 4.52 0.87 -1.98 -3.43 113.55 114.06 2hfd h SER 52 Ca 0.00 -0.70 0.00 0.00 -1.23 0.00 0.00 61.79 59.86 2hfd h SER 52 Cb 0.00 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 61.80 2hfd h SER 52 CO 0.00 1.15 0.00 -0.67 -0.53 0.00 0.00 176.83 176.78 2hfd n ASP 53 N -4.27 0.00 -3.52 6.23 2.03 -1.26 -4.12 116.55 111.64 2hfd n ASP 53 Ca -0.09 0.00 -0.18 0.00 0.52 0.00 0.00 54.79 55.04 2hfd n ASP 53 Cb 0.61 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 40.88 2hfd n ASP 53 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2hfd s ASN 54 N -2.48 1.34 0.09 1.67 2.20 -1.26 -5.16 114.94 111.35 2hfd s ASN 54 Ca 0.00 -0.17 0.00 0.00 -0.94 0.00 0.00 52.86 51.75 2hfd s ASN 54 Cb 0.00 0.36 0.00 0.00 -2.00 0.00 0.00 41.25 39.61 2hfd s ASN 54 CO 0.00 -0.32 0.00 -0.81 -2.94 0.00 0.00 177.10 173.03 2hfd n PRO 55 N 5.32 1.26 0.00 3.55 -0.04 -1.26 -4.71 135.00 139.13 2hfd n PRO 55 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 2hfd n PRO 55 Cb 0.50 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.96 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 -0.89 0.00 -0.10 0.52 0.31 -1.26 -4.75 118.33 112.16 2hfd n VAL 56 Ca 0.00 0.00 0.18 0.00 -0.01 0.00 0.00 64.34 64.51 2hfd n VAL 56 Cb 0.00 0.00 0.59 0.00 -0.91 0.00 0.00 33.84 33.52 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 0.21 -0.60 5.55 -0.00 -2.00 -0.05 114.93 118.04 2hfd h MET 57 Ca 0.00 -0.01 0.02 0.00 -0.00 0.00 0.00 59.70 59.71 2hfd h MET 57 Cb 0.00 -0.05 -0.04 0.00 -0.00 0.00 0.00 31.60 31.52 2hfd h MET 57 CO 0.00 0.14 0.38 0.82 -0.00 0.00 0.00 176.91 178.25 2hfd h ILE 58 N 0.22 1.10 0.00 -0.10 1.08 -1.94 -1.22 117.51 116.66 2hfd h ILE 58 Ca 0.33 -0.26 -0.08 0.00 -0.39 0.00 0.00 64.86 64.46 2hfd h ILE 58 Cb 0.98 0.27 -0.01 0.00 -3.07 0.00 0.00 36.82 35.00 2hfd h ILE 58 CO -0.07 0.14 -0.38 1.23 -0.69 0.00 0.00 178.15 178.39 2hfd h GLY 59 N 0.76 0.00 1.81 5.37 0.00 -1.41 -2.30 103.07 107.30 2hfd h GLY 59 Ca 0.23 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.34 2hfd h GLY 59 CO -0.08 0.00 -1.04 0.83 0.00 0.00 0.00 176.54 176.25 2hfd h GLU 60 N 0.00 0.15 -0.16 4.80 4.39 -1.33 -3.22 114.58 119.21 2hfd h GLU 60 Ca -0.00 -0.22 -0.14 0.00 0.34 0.00 0.00 59.36 59.34 2hfd h GLU 60 Cb 0.84 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.56 2hfd h GLU 60 CO 0.05 1.05 -0.48 1.25 -1.16 0.00 0.00 179.01 179.72 2hfd h LEU 61 N 0.06 0.46 -1.88 1.33 5.85 -0.90 -2.66 115.31 117.57 2hfd h LEU 61 Ca -0.06 -0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.41 2hfd h LEU 61 Cb 1.75 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 42.64 2hfd h LEU 61 CO 0.16 0.87 -0.12 -0.07 -0.34 0.00 0.00 178.44 178.94 2hfd h LEU 62 N 0.34 0.00 0.00 2.25 4.07 -1.44 -1.97 115.31 118.56 2hfd h LEU 62 Ca 0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.98 2hfd h LEU 62 Cb 0.98 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.72 2hfd h LEU 62 CO 0.08 0.12 0.00 0.54 -1.08 0.00 0.00 178.44 178.10 2hfd n ARG 63 N -4.13 0.06 0.25 1.13 1.74 -1.00 -2.60 116.66 112.11 2hfd n ARG 63 Ca -0.02 0.25 0.12 0.00 -0.77 0.00 0.00 57.85 57.42 2hfd n ARG 63 Cb 0.20 -1.50 0.65 0.00 -1.02 0.00 0.00 32.46 30.79 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 0.00 -4.02 5.56 4.39 -1.48 -3.36 114.58 115.68 2hfd h GLU 64 Ca 0.00 0.00 -0.67 0.00 0.34 0.00 0.00 59.36 59.03 2hfd h GLU 64 Cb 0.19 0.00 -0.38 0.00 -0.10 0.00 0.00 28.75 28.46 2hfd h GLU 64 CO 0.00 0.16 -0.59 -0.06 -1.16 0.00 0.00 179.01 177.35 2hfd s PHE 65 N -4.07 3.48 -0.42 4.33 0.40 -1.07 -4.92 117.98 115.71 2hfd s PHE 65 Ca -0.02 -2.90 0.26 0.00 -0.60 0.00 0.00 56.93 53.66 2hfd s PHE 65 Cb 0.12 -3.00 0.69 0.00 0.51 0.00 0.00 43.02 41.34 2hfd s PHE 65 CO 0.60 -0.87 1.72 -1.35 0.70 0.00 0.00 175.22 176.03 2hfd h PRO 66 N 7.21 0.00 0.00 0.24 0.11 -1.84 -3.23 132.00 134.49 2hfd h PRO 66 Ca -0.06 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.99 2hfd h PRO 66 Cb 0.97 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 2hfd h PRO 66 CO 0.64 0.00 -0.25 0.22 -0.21 0.00 0.00 178.00 178.41 2hfd h ASP 67 N 0.00 0.00 -3.31 -2.05 3.58 -1.95 -3.41 116.42 109.28 2hfd h ASP 67 Ca 0.00 0.00 -0.40 0.00 0.42 0.00 0.00 57.03 57.05 2hfd h ASP 67 Cb 0.80 0.00 -0.38 0.00 1.72 0.00 0.00 39.33 41.47 2hfd h ASP 67 CO 0.00 0.25 -0.75 -0.47 -2.88 0.00 0.00 179.24 175.38 2hfd s TYR 68 N -3.90 0.37 -0.04 0.28 6.14 -1.22 -5.12 117.35 113.86 2hfd s TYR 68 Ca -0.01 0.03 -0.24 0.00 0.64 0.00 0.00 57.07 57.49 2hfd s TYR 68 Cb 0.12 -0.62 -0.04 0.00 0.42 0.00 0.00 41.96 41.84 2hfd s TYR 68 CO 0.64 -0.25 0.71 -0.08 0.64 0.00 0.00 175.55 177.22 2hfd s THR 69 N 1.94 4.98 0.01 4.34 -1.32 -1.26 -4.79 115.64 119.54 2hfd s THR 69 Ca 0.03 1.48 -0.21 0.00 -1.21 0.00 0.00 61.69 61.78 2hfd s THR 69 Cb -0.12 -4.05 -0.05 0.00 -1.51 0.00 0.00 72.50 66.76 2hfd s THR 69 CO -0.04 0.28 0.61 0.26 -2.21 0.00 0.00 174.62 173.52 2hfd s TRP 70 N 0.59 3.70 -0.24 9.09 0.52 -1.26 -4.88 118.94 126.45 2hfd s TRP 70 Ca 0.38 1.24 -0.14 0.00 0.02 0.00 0.00 56.10 57.59 2hfd s TRP 70 Cb -0.18 -2.63 -0.04 0.00 -1.15 0.00 0.00 33.47 29.47 2hfd s TRP 70 CO 0.19 0.36 0.33 -1.14 0.02 0.00 0.00 176.95 176.71 2hfd s GLN 71 N -0.23 4.07 -0.40 4.98 2.00 -1.26 -4.96 119.66 123.86 2hfd s GLN 71 Ca 0.32 0.02 -0.15 0.00 -2.00 0.00 0.00 55.36 53.55 2hfd s GLN 71 Cb -0.19 -3.60 0.01 0.00 0.80 0.00 0.00 33.01 30.04 2hfd s GLN 71 CO 0.18 -0.13 0.32 0.08 -0.50 0.00 0.00 175.29 175.23 2hfd s VAL 72 N 1.63 5.23 -0.16 1.34 1.01 -1.26 -1.00 120.40 127.19 2hfd s VAL 72 Ca 0.15 -0.52 -0.02 0.00 0.00 0.00 0.00 61.98 61.59 2hfd s VAL 72 Cb -0.15 -3.91 -0.02 0.00 0.00 0.00 0.00 36.38 32.30 2hfd s VAL 72 CO 0.08 -0.28 -0.08 0.00 0.00 0.00 0.00 175.10 174.83 2hfd s ALA 73 N 1.77 2.80 -0.00 5.51 0.00 0.08 -2.81 121.76 129.11 2hfd s ALA 73 Ca 0.07 -0.93 0.06 0.00 0.00 0.00 0.00 51.96 51.15 2hfd s ALA 73 Cb -0.18 -1.45 -0.02 0.00 0.00 0.00 0.00 23.12 21.47 2hfd s ALA 73 CO 0.11 0.07 -0.19 0.96 0.00 0.00 0.00 175.76 176.71 2hfd s ILE 74 N 0.63 1.49 0.28 0.00 -4.36 -0.63 -2.66 121.20 115.95 2hfd s ILE 74 Ca -0.05 -0.87 0.05 0.00 -0.26 0.00 0.00 60.65 59.52 2hfd s ILE 74 Cb -0.15 -1.25 -0.06 0.00 1.25 0.00 0.00 42.46 42.25 2hfd s ILE 74 CO 0.03 0.37 -0.00 0.00 0.24 0.00 0.00 174.94 175.58 2hfd s ALA 75 N -0.51 2.15 0.98 2.27 0.00 -1.26 -1.09 121.76 124.30 2hfd s ALA 75 Ca 0.07 -1.90 -0.12 0.00 0.00 0.00 0.00 51.96 50.01 2hfd s ALA 75 Cb -0.07 0.45 0.18 0.00 0.00 0.00 0.00 23.12 23.68 2hfd s ALA 75 CO -0.00 -0.21 1.08 -0.51 0.00 0.00 0.00 175.76 176.12 2hfd s ASP 76 N -3.40 2.63 0.14 0.00 1.11 -1.26 -4.67 116.67 111.21 2hfd s ASP 76 Ca 0.31 1.62 -0.18 0.00 0.18 0.00 0.00 52.55 54.48 2hfd s ASP 76 Cb 0.06 -2.27 0.03 0.00 1.07 0.00 0.00 42.92 41.81 2hfd s ASP 76 CO 0.12 -3.19 1.71 -0.07 1.18 0.00 0.00 175.17 174.92 2hfd h LEU 77 N -1.93 -0.10 -1.42 1.23 3.38 -1.98 0.15 115.31 114.64 2hfd h LEU 77 Ca -0.52 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.49 2hfd h LEU 77 Cb 1.30 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 42.14 2hfd h LEU 77 CO 0.51 -0.02 0.12 -0.33 0.09 0.00 0.00 178.44 178.81 2hfd h GLU 78 N 0.09 0.51 0.04 1.13 5.08 -1.99 -1.35 114.58 118.09 2hfd h GLU 78 Ca 0.14 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2hfd h GLU 78 Cb 0.18 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2hfd h GLU 78 CO -0.23 0.45 -0.02 1.96 -1.00 0.00 0.00 179.01 180.17 2hfd h GLN 79 N 0.51 -0.05 -0.91 2.33 4.20 -1.74 -3.09 115.11 116.36 2hfd h GLN 79 Ca 0.12 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.83 2hfd h GLN 79 Cb 0.15 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.90 2hfd h GLN 79 CO -0.01 0.59 0.54 0.77 -0.67 0.00 0.00 178.83 180.05 2hfd h SER 80 N -0.91 1.10 -0.79 1.46 0.02 -0.64 -0.44 113.55 113.34 2hfd h SER 80 Ca -0.01 -0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 60.87 2hfd h SER 80 Cb 0.67 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.89 2hfd h SER 80 CO 0.01 0.85 0.48 -0.08 -1.14 0.00 0.00 176.83 176.94 2hfd h GLU 81 N 1.25 1.08 -0.34 3.45 4.81 -1.37 -1.26 114.58 122.20 2hfd h GLU 81 Ca 0.32 -0.10 -0.15 0.00 -0.13 0.00 0.00 59.36 59.31 2hfd h GLU 81 Cb -0.04 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.10 2hfd h GLU 81 CO -0.06 0.76 -0.37 0.00 -0.73 0.00 0.00 179.01 178.61 2hfd h ALA 82 N 1.25 0.69 -0.61 2.92 0.00 -1.26 -0.60 119.26 121.66 2hfd h ALA 82 Ca 0.28 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2hfd h ALA 82 Cb -0.04 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 2hfd h ALA 82 CO -0.05 0.67 0.34 0.82 0.00 0.00 0.00 179.25 181.03 2hfd h ILE 83 N 0.67 1.19 -0.20 0.00 2.04 -0.66 -2.41 117.51 118.13 2hfd h ILE 83 Ca 0.06 -0.46 -0.15 0.00 1.00 0.00 0.00 64.86 65.31 2hfd h ILE 83 Cb 0.93 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 2hfd h ILE 83 CO 0.09 0.20 -0.50 1.23 0.00 0.00 0.00 178.15 179.17 2hfd h GLY 84 N 0.82 0.60 0.76 5.37 0.00 -1.15 -3.12 103.07 106.36 2hfd h GLY 84 Ca 0.21 -0.66 0.11 0.00 0.00 0.00 0.00 47.33 47.00 2hfd h GLY 84 CO -0.04 0.59 0.52 -1.80 0.00 0.00 0.00 176.54 175.81 2hfd h ASP 85 N 0.43 0.60 -0.15 0.19 3.58 -0.65 -0.35 116.42 120.07 2hfd h ASP 85 Ca 0.02 0.02 0.05 0.00 0.42 0.00 0.00 57.03 57.54 2hfd h ASP 85 Cb 1.02 -0.10 -0.06 0.00 1.72 0.00 0.00 39.33 41.91 2hfd h ASP 85 CO 0.09 0.34 -0.30 0.03 -2.88 0.00 0.00 179.24 176.53 2hfd h ARG 86 N 0.65 -0.35 0.00 0.28 3.08 -1.38 -3.23 114.38 113.44 2hfd h ARG 86 Ca 0.38 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.45 2hfd h ARG 86 Cb 0.57 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.70 2hfd h ARG 86 CO -0.15 -0.23 -1.31 0.34 -1.07 0.00 0.00 179.97 177.55 2hfd n PHE 87 N -5.40 0.59 -1.22 3.04 7.35 -0.81 -4.95 117.46 116.06 2hfd n PHE 87 Ca -0.03 0.17 0.00 0.00 -0.76 0.00 0.00 57.45 56.83 2hfd n PHE 87 Cb 0.31 -0.75 0.00 0.00 0.35 0.00 0.00 39.48 39.39 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 1.23 1.00 3.88 7.13 0.00 -0.24 -5.09 105.19 113.11 2hfd n GLY 88 Ca -0.01 -0.35 -0.30 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.45 4.69 0.35 1.61 1.01 -0.60 -5.01 120.40 120.01 2hfd s VAL 89 Ca 0.00 0.63 -0.29 0.00 0.00 0.00 0.00 61.98 62.32 2hfd s VAL 89 Cb 0.00 -3.84 -0.11 0.00 0.00 0.00 0.00 36.38 32.43 2hfd s VAL 89 CO 0.00 -1.02 1.52 -0.36 0.00 0.00 0.00 175.10 175.25 2hfd s PHE 90 N -3.05 2.61 -2.02 5.22 0.08 -1.26 -4.76 117.98 114.81 2hfd s PHE 90 Ca 0.53 1.05 0.07 0.00 0.12 0.00 0.00 56.93 58.69 2hfd s PHE 90 Cb -0.11 -4.05 0.29 0.00 -0.57 0.00 0.00 43.02 38.58 2hfd s PHE 90 CO 0.51 -3.21 1.21 2.89 -0.10 0.00 0.00 175.22 176.51 2hfd n ARG 91 N 0.93 1.26 -3.35 0.44 1.85 -1.26 -4.84 116.66 111.69 2hfd n ARG 91 Ca 0.03 -0.40 -0.37 0.00 -1.00 0.00 0.00 57.85 56.11 2hfd n ARG 91 Cb 0.39 -1.14 -0.06 0.00 -1.05 0.00 0.00 32.46 30.60 2hfd n ARG 91 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 2hfd s PHE 92 N -1.87 3.71 0.09 2.89 0.08 -1.26 -5.02 117.98 116.60 2hfd s PHE 92 Ca 0.12 1.14 -0.33 0.00 0.12 0.00 0.00 56.93 57.98 2hfd s PHE 92 Cb 0.06 -2.41 -0.12 0.00 -0.57 0.00 0.00 43.02 39.98 2hfd s PHE 92 CO 0.09 0.53 1.75 -2.30 -0.10 0.00 0.00 175.22 175.19 2hfd n PRO 93 N 1.32 2.42 -2.82 0.24 -0.02 -1.26 -4.92 135.00 129.96 2hfd n PRO 93 Ca -0.09 0.88 -0.02 0.00 -2.02 0.00 0.00 63.50 62.25 2hfd n PRO 93 Cb 0.51 -2.72 0.01 0.00 -0.02 0.00 0.00 33.50 31.29 2hfd n PRO 93 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2hfd n ALA 94 N 4.98 -1.48 -3.86 3.55 0.00 -1.26 -4.27 120.51 118.17 2hfd n ALA 94 Ca 0.19 -0.63 -0.34 0.00 0.00 0.00 0.00 53.44 52.66 2hfd n ALA 94 Cb 0.32 0.39 -0.15 0.00 0.00 0.00 0.00 19.45 20.01 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 -2.31 2.51 -0.35 0.00 2.01 0.91 -0.64 115.64 117.77 2hfd s THR 95 Ca 0.13 -0.79 -0.18 0.00 0.31 0.00 0.00 61.69 61.16 2hfd s THR 95 Cb -0.02 -2.09 -0.00 0.00 0.01 0.00 0.00 72.50 70.40 2hfd s THR 95 CO 0.04 0.50 0.50 -0.76 -0.69 0.00 0.00 174.62 174.22 2hfd s LEU 96 N 1.29 4.38 -0.06 4.42 1.02 0.12 0.13 118.68 129.98 2hfd s LEU 96 Ca 0.04 -0.07 -0.12 0.00 0.02 0.00 0.00 54.13 54.00 2hfd s LEU 96 Cb -0.14 -2.56 -0.05 0.00 0.02 0.00 0.00 46.19 43.46 2hfd s LEU 96 CO -0.09 -0.48 0.30 0.54 0.02 0.00 0.00 176.35 176.64 2hfd s VAL 97 N 2.37 5.23 0.05 -1.59 0.11 -0.37 -0.52 120.40 125.69 2hfd s VAL 97 Ca 0.18 0.58 0.07 0.00 -2.93 0.00 0.00 61.98 59.88 2hfd s VAL 97 Cb -0.16 -3.59 -0.03 0.00 -1.53 0.00 0.00 36.38 31.08 2hfd s VAL 97 CO 0.13 0.57 -0.20 -0.36 -3.33 0.00 0.00 175.10 171.91 2hfd s PHE 98 N -0.90 1.77 -0.01 1.54 0.08 0.94 -1.30 117.98 120.10 2hfd s PHE 98 Ca 0.20 -0.38 -0.22 0.00 0.12 0.00 0.00 56.93 56.65 2hfd s PHE 98 Cb -0.15 -1.04 0.05 0.00 -0.57 0.00 0.00 43.02 41.31 2hfd s PHE 98 CO 0.09 0.10 0.49 0.99 -0.10 0.00 0.00 175.22 176.79 2hfd s THR 99 N -0.85 0.03 -1.62 0.64 2.01 -0.60 -4.13 115.64 111.12 2hfd s THR 99 Ca 0.07 -0.26 0.00 0.00 0.31 0.00 0.00 61.69 61.81 2hfd s THR 99 Cb -0.09 -0.84 0.00 0.00 0.01 0.00 0.00 72.50 71.58 2hfd s THR 99 CO 0.02 -0.14 0.00 0.61 -0.69 0.00 0.00 174.62 174.42 2hfd n GLY 100 N 0.94 1.29 2.32 4.40 0.00 -1.26 -1.60 105.19 111.28 2hfd n GLY 100 Ca -0.20 -0.27 -0.04 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.04 0.68 3.39 -0.02 0.00 -1.26 -4.99 105.19 101.95 2hfd n GLY 101 Ca -0.16 -0.34 -0.21 0.00 0.00 0.00 0.00 46.02 45.31 2hfd n GLY 101 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2hfd s ASN 102 N -2.47 2.04 -0.13 1.61 0.01 -0.63 -5.11 114.94 110.27 2hfd s ASN 102 Ca 0.00 -1.64 -0.29 0.00 -0.71 0.00 0.00 52.86 50.22 2hfd s ASN 102 Cb 0.00 0.46 -0.04 0.00 0.41 0.00 0.00 41.25 42.08 2hfd s ASN 102 CO 0.00 -0.94 1.60 -0.47 -1.51 0.00 0.00 177.10 175.78 2hfd s TYR 103 N -3.42 2.12 -0.26 2.20 5.04 -1.26 -1.56 117.35 120.21 2hfd s TYR 103 Ca 0.32 0.43 -0.13 0.00 -2.44 0.00 0.00 57.07 55.25 2hfd s TYR 103 Cb 0.04 -3.89 -0.14 0.00 0.35 0.00 0.00 41.96 38.32 2hfd s TYR 103 CO 0.18 -3.26 -0.23 -2.13 -1.34 0.00 0.00 175.55 168.78 2hfd n ARG 104 N 7.28 0.60 -3.49 4.97 3.00 -0.42 -4.82 116.66 123.77 2hfd n ARG 104 Ca 0.18 0.29 0.00 0.00 -0.00 0.00 0.00 57.85 58.32 2hfd n ARG 104 Cb 0.44 -1.54 0.00 0.00 0.00 0.00 0.00 32.46 31.36 2hfd n ARG 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2hfd n GLY 105 N 1.45 -1.22 2.99 5.14 0.00 -0.76 -4.91 105.19 107.89 2hfd n GLY 105 Ca -0.49 -0.99 -0.21 0.00 0.00 0.00 0.00 46.02 44.33 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 0.79 -0.15 1.61 1.01 -1.26 -1.23 120.40 118.17 2hfd s VAL 106 Ca 0.00 -0.35 -0.04 0.00 0.00 0.00 0.00 61.98 61.60 2hfd s VAL 106 Cb 0.00 -0.71 -0.03 0.00 0.00 0.00 0.00 36.38 35.64 2hfd s VAL 106 CO 0.00 0.25 -0.02 -0.76 0.00 0.00 0.00 175.10 174.57 2hfd s LEU 107 N 0.31 3.37 0.00 3.92 1.43 0.12 -4.96 118.68 122.88 2hfd s LEU 107 Ca -0.05 -0.06 0.00 0.00 -1.03 0.00 0.00 54.13 52.99 2hfd s LEU 107 Cb -0.10 -1.81 0.00 0.00 0.03 0.00 0.00 46.19 44.31 2hfd s LEU 107 CO 0.01 0.20 1.32 0.59 0.23 0.00 0.00 176.35 178.70 2hfd n ASN 108 N 3.31 3.73 0.00 2.29 4.13 -1.26 -0.06 115.26 127.40 2hfd n ASN 108 Ca -0.17 -2.09 0.00 0.00 1.68 0.00 0.00 54.58 54.00 2hfd n ASN 108 Cb 0.53 -0.71 0.00 0.00 -1.54 0.00 0.00 39.78 38.06 2hfd n ASN 108 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2hfd n GLY 109 N 0.88 3.92 3.55 7.41 0.00 -1.26 -4.39 105.19 115.31 2hfd n GLY 109 Ca 0.00 0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 2hfd n GLY 109 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2hfd s ILE 110 N 0.00 3.34 0.01 -0.61 -1.09 -1.26 -4.92 121.20 116.67 2hfd s ILE 110 Ca 0.00 0.17 0.01 0.00 -2.23 0.00 0.00 60.65 58.60 2hfd s ILE 110 Cb 0.00 -3.90 -0.01 0.00 -1.58 0.00 0.00 42.46 36.97 2hfd s ILE 110 CO 0.00 -0.87 -0.05 -2.28 -1.23 0.00 0.00 174.94 170.51 2hfd s HIS 111 N 9.28 0.41 -0.28 3.97 2.46 -1.26 -4.99 115.29 124.89 2hfd s HIS 111 Ca 0.69 -0.21 -0.41 0.00 0.47 0.00 0.00 55.06 55.60 2hfd s HIS 111 Cb -0.13 -0.26 -0.18 0.00 -0.13 0.00 0.00 32.58 31.88 2hfd s HIS 111 CO 0.20 -0.04 1.28 -2.30 -2.47 0.00 0.00 174.74 171.41 2hfd n PRO 112 N 2.49 0.00 -0.26 2.88 -0.01 -1.26 -4.59 135.00 134.24 2hfd n PRO 112 Ca -0.16 0.00 0.02 0.00 -0.01 0.00 0.00 63.50 63.35 2hfd n PRO 112 Cb 0.57 -1.39 0.15 0.00 -0.01 0.00 0.00 33.50 32.82 2hfd n PRO 112 CO 0.00 0.00 0.00 2.35 -0.01 0.00 0.00 175.50 177.84 2hfd h TRP 113 N 3.88 0.71 -0.54 6.00 -0.00 -1.99 0.45 115.95 124.46 2hfd h TRP 113 Ca -0.43 0.03 0.03 0.00 -0.00 0.00 0.00 58.89 58.52 2hfd h TRP 113 Cb 1.29 -0.21 -0.04 0.00 -0.00 0.00 0.00 29.16 30.20 2hfd h TRP 113 CO 0.57 0.27 0.30 0.00 -0.00 0.00 0.00 178.44 179.59 2hfd h ALA 114 N 1.43 0.69 0.00 2.65 0.00 -2.00 -1.04 119.26 121.00 2hfd h ALA 114 Ca 0.36 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.16 2hfd h ALA 114 Cb 0.36 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2hfd h ALA 114 CO -0.26 -0.01 -0.53 0.93 0.00 0.00 0.00 179.25 179.39 2hfd h GLU 115 N 0.60 0.00 -0.08 0.00 4.39 -1.37 -1.29 114.58 116.83 2hfd h GLU 115 Ca 0.23 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.92 2hfd h GLU 115 Cb 0.07 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.72 2hfd h GLU 115 CO -0.12 0.53 0.00 1.25 -1.16 0.00 0.00 179.01 179.51 2hfd h LEU 116 N 0.00 0.13 -0.67 1.33 7.12 0.53 0.65 115.31 124.39 2hfd h LEU 116 Ca -0.01 -0.29 -0.03 0.00 0.13 0.00 0.00 57.88 57.69 2hfd h LEU 116 Cb 1.00 -0.03 -0.03 0.00 -0.53 0.00 0.00 40.66 41.06 2hfd h LEU 116 CO 0.07 0.39 0.32 0.40 -0.13 0.00 0.00 178.44 179.48 2hfd h ILE 117 N -0.14 1.23 0.23 4.05 2.04 -1.16 -0.10 117.51 123.66 2hfd h ILE 117 Ca 0.02 -0.66 0.01 0.00 1.00 0.00 0.00 64.86 65.23 2hfd h ILE 117 Cb 0.32 0.41 -0.04 0.00 -0.74 0.00 0.00 36.82 36.77 2hfd h ILE 117 CO 0.00 0.27 -0.50 -1.13 0.00 0.00 0.00 178.15 176.80 2hfd h ASN 118 N 0.94 -1.45 -0.56 1.72 -1.24 -0.99 0.37 115.58 114.38 2hfd h ASN 118 Ca 0.23 0.14 -0.02 0.00 0.71 0.00 0.00 56.30 57.37 2hfd h ASN 118 Cb 0.13 0.52 -0.03 0.00 0.73 0.00 0.00 38.32 39.68 2hfd h ASN 118 CO -0.03 -0.57 0.28 -0.07 -1.29 0.00 0.00 177.43 175.75 2hfd h LEU 119 N -0.80 0.72 -0.31 0.34 3.38 -0.80 -2.09 115.31 115.73 2hfd h LEU 119 Ca -0.01 -0.12 0.05 0.00 0.09 0.00 0.00 57.88 57.89 2hfd h LEU 119 Cb 0.78 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.29 2hfd h LEU 119 CO -0.21 0.63 0.02 -0.03 0.09 0.00 0.00 178.44 178.93 2hfd h MET 120 N 0.75 0.11 -0.76 1.13 4.05 -0.70 -0.33 114.93 119.18 2hfd h MET 120 Ca 0.19 -0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 59.57 2hfd h MET 120 Cb 0.09 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 30.84 2hfd h MET 120 CO -0.03 0.07 0.33 -0.09 0.23 0.00 0.00 176.91 177.42 2hfd h ARG 121 N 0.11 1.11 -0.03 0.39 1.12 -0.76 0.10 114.38 116.42 2hfd h ARG 121 Ca 0.15 -0.18 -0.08 0.00 -1.11 0.00 0.00 59.98 58.77 2hfd h ARG 121 Cb 0.19 -0.19 -0.01 0.00 -0.01 0.00 0.00 29.97 29.95 2hfd h ARG 121 CO -0.24 0.88 -0.35 0.78 -3.11 0.00 0.00 179.97 177.93 2hfd h GLY 122 N 1.13 0.06 0.00 2.80 0.00 -0.63 -2.63 103.07 103.79 2hfd h GLY 122 Ca 0.26 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.54 2hfd h GLY 122 CO -0.03 0.04 -0.30 1.41 0.00 0.00 0.00 176.54 177.66 2hfd h LEU 123 N 0.05 0.00 -1.35 3.11 3.38 -0.44 -3.25 115.31 116.80 2hfd h LEU 123 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2hfd h LEU 123 Cb 0.65 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 2hfd h LEU 123 CO 0.05 0.62 -0.02 -0.37 0.09 0.00 0.00 178.44 178.81 2hfd h VAL 124 N -0.93 1.17 -3.59 1.22 -1.51 -0.94 -3.16 116.25 108.52 2hfd h VAL 124 Ca 0.00 -0.69 -0.72 0.00 -1.23 0.00 0.00 66.70 64.06 2hfd h VAL 124 Cb 0.30 0.99 -0.33 0.00 -2.13 0.00 0.00 31.29 30.13 2hfd h VAL 124 CO 0.00 0.23 -0.27 -0.70 -1.23 0.00 0.00 177.57 175.60 2hfd s GLU 125 N -4.95 2.78 -0.15 5.19 2.12 -0.99 -5.05 118.70 117.66 2hfd s GLU 125 Ca -0.07 -2.45 -0.31 0.00 0.36 0.00 0.00 54.97 52.50 2hfd s GLU 125 Cb 0.16 -3.90 -0.08 0.00 0.26 0.00 0.00 34.13 30.57 2hfd s GLU 125 CO 0.75 -1.20 2.09 -2.30 -0.54 0.00 0.00 175.26 174.05 2hfd n PRO 126 N 3.71 2.11 0.00 4.30 -0.02 -1.20 -4.51 135.00 139.41 2hfd n PRO 126 Ca 0.08 0.69 0.14 0.00 -2.02 0.00 0.00 63.50 62.39 2hfd n PRO 126 Cb 0.40 -2.95 0.64 0.00 -0.02 0.00 0.00 33.50 31.57 2hfd n PRO 126 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2hfd n GLN 127 N 7.93 0.20 -3.56 -0.52 6.02 -1.22 -4.96 117.38 121.26 2hfd n GLN 127 Ca 0.27 -0.02 -0.26 0.00 -0.01 0.00 0.00 57.00 56.99 2hfd n GLN 127 Cb 0.37 -1.50 0.04 0.00 1.02 0.00 0.00 30.24 30.18 2hfd n GLN 127 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2hfd n GLN 128 N -1.38 -1.42 -2.99 -1.09 6.02 -1.26 -4.99 117.38 110.27 2hfd n GLN 128 Ca 0.10 0.63 0.02 0.00 -0.01 0.00 0.00 57.00 57.73 2hfd n GLN 128 Cb 0.30 -4.46 -0.00 0.00 1.02 0.00 0.00 30.24 27.10 2hfd n GLN 128 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 2hfd s GLU 129 N -5.41 0.44 0.00 -1.09 2.12 -1.26 -4.97 118.70 108.53 2hfd s GLU 129 Ca 0.42 -0.09 0.00 0.00 0.36 0.00 0.00 54.97 55.66 2hfd s GLU 129 Cb -0.13 0.07 0.00 0.00 0.26 0.00 0.00 34.13 34.33 2hfd s GLU 129 CO 0.83 -0.66 0.00 -2.13 -0.54 0.00 0.00 175.26 172.76 2hfd n ARG 130 N 4.18 0.00 -0.80 4.30 0.63 -1.26 -5.12 116.66 118.59 2hfd n ARG 130 Ca 0.08 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.01 2hfd n ARG 130 Cb 0.60 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.51 2hfd n ARG 130 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2hfd n ALA 131 N 0.00 -1.64 1.32 5.13 0.00 -1.26 -5.27 120.51 118.80 2hfd n ALA 131 Ca 0.00 0.23 0.13 0.00 0.00 0.00 0.00 53.44 53.80 2hfd n ALA 131 Cb 0.00 -0.96 0.37 0.00 0.00 0.00 0.00 19.45 18.86 2hfd n ALA 131 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93