#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hsp n SER 2 N 0.00 -3.62 -4.59 1.61 3.41 -1.26 -4.72 113.62 104.45 2hsp n SER 2 Ca 0.00 0.06 -0.47 0.00 -0.26 0.00 0.00 58.87 58.20 2hsp n SER 2 Cb 0.00 -0.74 -0.03 0.00 -0.26 0.00 0.00 64.21 63.18 2hsp n SER 2 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 2hsp n PRO 3 N 1.13 1.30 -2.07 4.33 -0.02 -1.26 -4.87 135.00 133.55 2hsp n PRO 3 Ca -0.01 0.46 -0.39 0.00 -2.02 0.00 0.00 63.50 61.55 2hsp n PRO 3 Cb 0.65 -1.93 0.03 0.00 -0.02 0.00 0.00 33.50 32.24 2hsp n PRO 3 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 2hsp n THR 4 N 1.10 3.84 -4.01 3.45 -1.04 -1.26 -4.89 114.28 111.47 2hsp n THR 4 Ca 0.13 -4.58 -0.32 0.00 -2.04 0.00 0.00 64.05 57.24 2hsp n THR 4 Cb 0.28 -1.28 -0.15 0.00 -1.82 0.00 0.00 70.33 67.36 2hsp n THR 4 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 2hsp s PHE 5 N -4.07 3.62 0.20 -1.42 0.08 -1.26 -5.08 117.98 110.04 2hsp s PHE 5 Ca 0.50 -2.76 -0.32 0.00 0.12 0.00 0.00 56.93 54.47 2hsp s PHE 5 Cb 0.40 -2.69 -0.12 0.00 -0.57 0.00 0.00 43.02 40.05 2hsp s PHE 5 CO -0.36 -0.93 1.73 -1.59 -0.10 0.00 0.00 175.22 173.97 2hsp s LYS 6 N 0.98 4.13 0.27 0.44 -2.85 -1.26 -4.89 119.74 116.56 2hsp s LYS 6 Ca 0.06 2.60 -0.02 0.00 -1.00 0.00 0.00 55.97 57.60 2hsp s LYS 6 Cb -0.20 -3.14 -0.02 0.00 -2.06 0.00 0.00 37.83 32.42 2hsp s LYS 6 CO -0.07 -0.76 0.31 0.00 0.10 0.00 0.00 175.35 174.94 2hsp s ALA 8 N -3.70 3.89 0.00 0.00 0.00 -1.26 -2.08 121.76 118.61 2hsp s ALA 8 Ca 0.34 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 51.18 2hsp s ALA 8 Cb 0.03 -0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.05 2hsp s ALA 8 CO 0.17 -0.12 0.00 0.28 0.00 0.00 0.00 175.76 176.09 2hsp n VAL 9 N -1.26 0.00 -2.81 0.00 0.31 -1.15 -4.33 118.33 109.09 2hsp n VAL 9 Ca -0.12 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.18 2hsp n VAL 9 Cb 0.66 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 33.60 2hsp n VAL 9 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 2hsp s LYS 10 N -0.36 0.94 -0.30 5.55 2.20 -1.25 -4.41 119.74 122.11 2hsp s LYS 10 Ca 0.00 -0.86 -0.27 0.00 -0.36 0.00 0.00 55.97 54.47 2hsp s LYS 10 Cb 0.00 -0.03 -0.12 0.00 -1.51 0.00 0.00 37.83 36.18 2hsp s LYS 10 CO 0.00 -1.19 1.06 0.00 -0.36 0.00 0.00 175.35 174.87 2hsp n ALA 11 N 3.10 -0.49 0.07 3.13 0.00 -0.73 -4.60 120.51 120.99 2hsp n ALA 11 Ca 0.16 0.24 -0.13 0.00 0.00 0.00 0.00 53.44 53.71 2hsp n ALA 11 Cb 0.57 -1.18 -0.13 0.00 0.00 0.00 0.00 19.45 18.71 2hsp n ALA 11 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2hsp h LEU 12 N 3.78 0.26 -9.91 0.00 3.38 -1.87 -0.49 115.31 110.46 2hsp h LEU 12 Ca -0.19 -0.30 -0.59 0.00 0.09 0.00 0.00 57.88 56.88 2hsp h LEU 12 Cb 0.83 -0.08 -0.10 0.00 0.09 0.00 0.00 40.66 41.40 2hsp h LEU 12 CO 0.61 1.24 -0.50 -0.36 0.09 0.00 0.00 178.44 179.52 2hsp s PHE 13 N -2.66 2.42 0.16 1.13 0.08 -1.24 -4.76 117.98 113.12 2hsp s PHE 13 Ca -0.04 -0.67 -0.01 0.00 0.12 0.00 0.00 56.93 56.34 2hsp s PHE 13 Cb 0.08 -1.88 -0.04 0.00 -0.57 0.00 0.00 43.02 40.61 2hsp s PHE 13 CO 0.85 0.18 0.34 -0.51 -0.10 0.00 0.00 175.22 175.99 2hsp s ASP 14 N -3.90 6.39 0.44 1.36 1.11 -1.26 -3.37 116.67 117.43 2hsp s ASP 14 Ca 0.35 0.36 0.03 0.00 0.18 0.00 0.00 52.55 53.48 2hsp s ASP 14 Cb 0.04 -1.99 -0.04 0.00 1.07 0.00 0.00 42.92 42.00 2hsp s ASP 14 CO 0.19 0.02 0.04 -0.47 1.18 0.00 0.00 175.17 176.13 2hsp s TYR 15 N -1.76 2.02 -0.41 4.23 6.14 -0.29 -4.94 117.35 122.33 2hsp s TYR 15 Ca 0.38 -0.96 0.09 0.00 0.64 0.00 0.00 57.07 57.22 2hsp s TYR 15 Cb -0.11 -1.50 0.34 0.00 0.42 0.00 0.00 41.96 41.11 2hsp s TYR 15 CO 0.28 0.13 0.96 0.36 0.64 0.00 0.00 175.55 177.92 2hsp n LYS 16 N -1.03 1.02 -0.09 4.97 2.85 -1.26 -4.40 118.16 120.21 2hsp n LYS 16 Ca -0.10 -2.62 -0.12 0.00 -1.05 0.00 0.00 58.31 54.41 2hsp n LYS 16 Cb 0.66 -1.28 -0.10 0.00 -0.65 0.00 0.00 35.03 33.67 2hsp n LYS 16 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2hsp n ALA 17 N 0.25 1.58 0.00 0.58 0.00 -1.20 -4.79 120.51 116.93 2hsp n ALA 17 Ca 0.14 -0.89 0.00 0.00 0.00 0.00 0.00 53.44 52.69 2hsp n ALA 17 Cb 0.70 0.01 0.00 0.00 0.00 0.00 0.00 19.45 20.16 2hsp n ALA 17 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2hsp n GLN 18 N -2.96 0.00 -2.00 0.00 7.27 -1.26 -3.99 117.38 114.44 2hsp n GLN 18 Ca -0.33 0.00 -0.01 0.00 0.07 0.00 0.00 57.00 56.73 2hsp n GLN 18 Cb 0.91 -0.12 0.06 0.00 2.41 0.00 0.00 30.24 33.49 2hsp n GLN 18 CO 0.00 0.00 0.00 2.89 0.07 0.00 0.00 177.06 180.02 2hsp n ARG 19 N 0.00 0.65 0.00 3.69 1.85 -1.23 -4.18 116.66 117.44 2hsp n ARG 19 Ca 0.00 -0.60 0.00 0.00 -1.00 0.00 0.00 57.85 56.25 2hsp n ARG 19 Cb 0.00 0.23 0.00 0.00 -1.05 0.00 0.00 32.46 31.64 2hsp n ARG 19 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 177.63 176.77 2hsp n GLU 20 N -0.73 3.54 0.00 2.89 0.28 -1.26 -4.83 120.64 120.52 2hsp n GLU 20 Ca -0.09 0.00 0.08 0.00 -0.16 0.00 0.00 57.16 56.98 2hsp n GLU 20 Cb 0.68 0.00 0.35 0.00 1.43 0.00 0.00 31.44 33.90 2hsp n GLU 20 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2hsp n ASP 21 N 0.00 0.00 -4.48 -1.84 9.92 -1.26 -4.64 116.55 114.26 2hsp n ASP 21 Ca 0.00 0.33 -0.25 0.00 -0.53 0.00 0.00 54.79 54.34 2hsp n ASP 21 Cb 0.00 -0.42 -0.10 0.00 -0.64 0.00 0.00 41.12 39.96 2hsp n ASP 21 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 2hsp s GLU 22 N -2.84 1.85 0.24 -1.24 2.12 -1.26 0.33 118.70 117.91 2hsp s GLU 22 Ca 0.10 -2.08 0.02 0.00 0.36 0.00 0.00 54.97 53.38 2hsp s GLU 22 Cb 0.10 -1.10 -0.05 0.00 0.26 0.00 0.00 34.13 33.34 2hsp s GLU 22 CO 0.26 -0.23 0.05 -0.51 -0.54 0.00 0.00 175.26 174.29 2hsp s LEU 23 N -3.62 1.94 -0.16 2.70 1.43 -1.24 -3.49 118.68 116.24 2hsp s LEU 23 Ca 0.30 -1.30 0.05 0.00 -1.03 0.00 0.00 54.13 52.15 2hsp s LEU 23 Cb 0.07 -0.12 0.39 0.00 0.03 0.00 0.00 46.19 46.56 2hsp s LEU 23 CO 0.14 -0.63 1.26 1.07 0.23 0.00 0.00 176.35 178.42 2hsp n THR 24 N -0.44 1.67 -1.47 5.49 5.66 -1.26 -3.22 114.28 120.72 2hsp n THR 24 Ca -0.03 -0.81 -0.48 0.00 -3.05 0.00 0.00 64.05 59.69 2hsp n THR 24 Cb 0.65 -0.51 -0.03 0.00 -1.55 0.00 0.00 70.33 68.89 2hsp n THR 24 CO 0.00 0.00 0.00 2.22 -3.05 0.00 0.00 175.07 174.24 2hsp n PHE 25 N 0.08 0.17 -3.30 1.09 1.16 -1.26 -4.24 117.46 111.15 2hsp n PHE 25 Ca 0.20 0.88 -0.19 0.00 -1.87 0.00 0.00 57.45 56.47 2hsp n PHE 25 Cb 0.87 -2.07 -0.01 0.00 -1.61 0.00 0.00 39.48 36.66 2hsp n PHE 25 CO 0.00 0.00 0.00 0.96 -1.87 0.00 0.00 176.76 175.85 2hsp s ILE 26 N -0.92 2.82 0.04 1.97 -4.36 -1.26 -1.14 121.20 118.36 2hsp s ILE 26 Ca 0.64 -1.18 -0.33 0.00 -0.26 0.00 0.00 60.65 59.52 2hsp s ILE 26 Cb -0.88 -3.00 -0.12 0.00 1.25 0.00 0.00 42.46 39.71 2hsp s ILE 26 CO 0.57 -0.00 1.82 1.17 0.24 0.00 0.00 174.94 178.73 2hsp n LYS 27 N -1.69 2.44 0.00 0.37 0.00 -1.22 -0.56 118.16 117.50 2hsp n LYS 27 Ca 0.06 0.89 0.00 0.00 0.00 0.00 0.00 58.31 59.25 2hsp n LYS 27 Cb 0.60 -2.75 0.00 0.00 0.00 0.00 0.00 35.03 32.89 2hsp n LYS 27 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2hsp n SER 28 N 5.76 0.00 -4.67 3.14 2.88 -0.19 -5.00 113.62 115.54 2hsp n SER 28 Ca 0.20 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.31 2hsp n SER 28 Cb 0.33 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.79 2hsp n SER 28 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2hsp n ALA 29 N -0.71 0.94 -3.54 -1.46 0.00 0.28 -4.68 120.51 111.34 2hsp n ALA 29 Ca 0.00 0.34 -0.27 0.00 0.00 0.00 0.00 53.44 53.51 2hsp n ALA 29 Cb 0.00 -2.20 -0.09 0.00 0.00 0.00 0.00 19.45 17.16 2hsp n ALA 29 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2hsp n ILE 30 N 0.16 2.21 -1.72 0.00 5.41 -1.26 -1.78 119.36 122.37 2hsp n ILE 30 Ca 0.06 -5.14 -0.38 0.00 1.00 0.00 0.00 62.75 58.28 2hsp n ILE 30 Cb 0.36 -2.12 0.05 0.00 -0.71 0.00 0.00 39.64 37.21 2hsp n ILE 30 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 2hsp n ILE 31 N 1.12 3.86 -4.37 1.39 5.41 -1.26 -4.79 119.36 120.72 2hsp n ILE 31 Ca 0.27 -0.50 -0.25 0.00 1.00 0.00 0.00 62.75 63.27 2hsp n ILE 31 Cb 0.39 -1.57 -0.09 0.00 -0.71 0.00 0.00 39.64 37.67 2hsp n ILE 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2hsp s GLN 32 N -2.87 2.06 -0.16 0.38 -2.07 -1.18 -2.95 119.66 112.87 2hsp s GLN 32 Ca 0.73 -1.87 -0.00 0.00 -1.82 0.00 0.00 55.36 52.39 2hsp s GLN 32 Cb -0.42 -1.86 0.00 0.00 -1.09 0.00 0.00 33.01 29.64 2hsp s GLN 32 CO 0.48 0.04 0.01 0.09 -1.32 0.00 0.00 175.29 174.59 2hsp n ASN 33 N -1.01 -7.10 -4.41 12.60 4.13 -1.15 -3.08 115.26 115.25 2hsp n ASN 33 Ca -0.04 0.96 -0.20 0.00 1.68 0.00 0.00 54.58 56.98 2hsp n ASN 33 Cb 0.64 -3.54 -0.10 0.00 -1.54 0.00 0.00 39.78 35.24 2hsp n ASN 33 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2hsp s VAL 34 N -1.26 1.25 -0.30 2.41 1.01 -0.89 -3.45 120.40 119.17 2hsp s VAL 34 Ca -0.01 -2.04 -0.15 0.00 0.00 0.00 0.00 61.98 59.77 2hsp s VAL 34 Cb 0.00 -2.58 0.18 0.00 0.00 0.00 0.00 36.38 33.99 2hsp s VAL 34 CO 0.41 -0.17 1.16 -1.61 0.00 0.00 0.00 175.10 174.89 2hsp s GLU 35 N -3.84 0.03 -0.84 2.72 2.02 -1.26 -4.04 118.70 113.49 2hsp s GLU 35 Ca 0.32 0.03 -0.27 0.00 0.02 0.00 0.00 54.97 55.07 2hsp s GLU 35 Cb 0.07 0.01 -0.18 0.00 0.10 0.00 0.00 34.13 34.13 2hsp s GLU 35 CO 0.13 -0.06 2.54 1.63 0.02 0.00 0.00 175.26 179.52 2hsp n LYS 36 N 4.86 0.34 -3.86 1.61 5.02 -1.26 -4.15 118.16 120.72 2hsp n LYS 36 Ca 0.10 -0.05 -0.35 0.00 -2.02 0.00 0.00 58.31 55.98 2hsp n LYS 36 Cb 0.59 -2.16 -0.05 0.00 -0.02 0.00 0.00 35.03 33.39 2hsp n LYS 36 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 2hsp s GLN 37 N 8.57 3.47 -0.73 1.97 0.74 0.98 -4.43 119.66 130.24 2hsp s GLN 37 Ca 1.22 -0.19 0.00 0.00 0.05 0.00 0.00 55.36 56.44 2hsp s GLN 37 Cb -0.83 -3.14 0.00 0.00 1.10 0.00 0.00 33.01 30.15 2hsp s GLN 37 CO 0.41 0.72 0.00 0.39 -0.55 0.00 0.00 175.29 176.25 2hsp n GLU 38 N 1.42 -1.63 0.00 1.67 1.02 -1.26 -4.12 120.64 117.74 2hsp n GLU 38 Ca -0.15 0.56 0.00 0.00 -0.02 0.00 0.00 57.16 57.55 2hsp n GLU 38 Cb 0.54 -4.57 0.00 0.00 -0.02 0.00 0.00 31.44 27.38 2hsp n GLU 38 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2hsp n GLY 39 N 0.18 0.02 2.70 0.62 0.00 -1.26 -4.89 105.19 102.55 2hsp n GLY 39 Ca -0.07 -0.90 -0.36 0.00 0.00 0.00 0.00 46.02 44.69 2hsp n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hsp n GLY 40 N 0.00 5.30 3.01 -0.02 0.00 -1.26 -4.80 105.19 107.41 2hsp n GLY 40 Ca 0.00 -2.28 -0.20 0.00 0.00 0.00 0.00 46.02 43.54 2hsp n GLY 40 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2hsp s TRP 41 N -3.50 0.94 0.32 1.61 0.52 -1.26 -0.05 118.94 117.52 2hsp s TRP 41 Ca 0.55 -0.22 0.08 0.00 0.02 0.00 0.00 56.10 56.52 2hsp s TRP 41 Cb 0.43 -0.66 -0.04 0.00 -1.15 0.00 0.00 33.47 32.06 2hsp s TRP 41 CO -0.30 -0.08 0.18 -1.58 0.02 0.00 0.00 176.95 175.19 2hsp s TRP 42 N 0.12 2.82 0.36 -1.98 0.52 0.16 -0.02 118.94 120.93 2hsp s TRP 42 Ca -0.02 -0.30 0.04 0.00 0.02 0.00 0.00 56.10 55.84 2hsp s TRP 42 Cb -0.08 -1.60 -0.05 0.00 -1.15 0.00 0.00 33.47 30.60 2hsp s TRP 42 CO 0.00 0.35 0.08 1.03 0.02 0.00 0.00 176.95 178.44 2hsp s ARG 43 N -3.87 1.77 0.00 4.98 0.52 -1.26 -1.00 118.95 120.10 2hsp s ARG 43 Ca 0.37 -2.03 0.00 0.00 -0.52 0.00 0.00 55.73 53.55 2hsp s ARG 43 Cb -0.05 -0.78 0.00 0.00 0.52 0.00 0.00 34.95 34.64 2hsp s ARG 43 CO 0.24 -0.31 0.00 0.41 0.02 0.00 0.00 175.30 175.66 2hsp n GLY 44 N -0.79 4.64 3.79 -3.53 0.00 -1.22 -4.05 105.19 104.03 2hsp n GLY 44 Ca -0.04 -1.27 -0.34 0.00 0.00 0.00 0.00 46.02 44.37 2hsp n GLY 44 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2hsp s ASP 45 N 0.00 5.82 -0.33 1.61 -1.08 -1.18 -2.71 116.67 118.80 2hsp s ASP 45 Ca 0.00 1.98 0.15 0.00 -0.52 0.00 0.00 52.55 54.16 2hsp s ASP 45 Cb 0.00 -2.56 0.44 0.00 -1.46 0.00 0.00 42.92 39.34 2hsp s ASP 45 CO 0.00 -1.14 1.26 0.00 0.52 0.00 0.00 175.17 175.81 2hsp n TYR 46 N -1.57 -0.70 -0.20 -5.34 9.36 -1.26 -3.11 117.16 114.34 2hsp n TYR 46 Ca 0.10 -2.12 0.00 0.00 3.32 0.00 0.00 57.90 59.20 2hsp n TYR 46 Cb 0.52 0.73 0.00 0.00 -0.63 0.00 0.00 39.34 39.96 2hsp n TYR 46 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2hsp n GLY 47 N -0.72 -0.13 5.01 2.98 0.00 -1.26 -4.79 105.19 106.28 2hsp n GLY 47 Ca -0.02 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.00 2hsp n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hsp n GLY 48 N 2.17 0.86 3.54 -0.02 0.00 -1.26 -4.84 105.19 105.65 2hsp n GLY 48 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 2hsp n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hsp s LYS 49 N 0.00 -1.23 -0.31 1.61 3.01 -1.26 -5.04 119.74 116.52 2hsp s LYS 49 Ca 0.00 0.16 0.00 0.00 -1.01 0.00 0.00 55.97 55.12 2hsp s LYS 49 Cb 0.00 -1.57 0.14 0.00 -1.01 0.00 0.00 37.83 35.39 2hsp s LYS 49 CO 0.00 -3.76 0.32 0.21 0.51 0.00 0.00 175.35 172.62 2hsp s LYS 50 N -5.17 0.39 0.00 1.68 2.20 -1.26 -4.06 119.74 113.52 2hsp s LYS 50 Ca 0.69 -0.27 0.00 0.00 -0.36 0.00 0.00 55.97 56.04 2hsp s LYS 50 Cb -0.14 -0.65 0.00 0.00 -1.51 0.00 0.00 37.83 35.53 2hsp s LYS 50 CO 0.58 -1.06 0.00 1.04 -0.36 0.00 0.00 175.35 175.54 2hsp n GLN 51 N 5.11 0.00 0.00 4.03 6.02 -1.10 -4.80 117.38 126.64 2hsp n GLN 51 Ca 0.01 0.46 0.00 0.00 -0.01 0.00 0.00 57.00 57.45 2hsp n GLN 51 Cb 0.46 -1.37 0.00 0.00 1.02 0.00 0.00 30.24 30.35 2hsp n GLN 51 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2hsp n LEU 52 N -0.66 0.00 -3.82 1.08 4.77 -1.11 -4.60 117.00 112.66 2hsp n LEU 52 Ca 0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.86 2hsp n LEU 52 Cb 0.20 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.18 2hsp n LEU 52 CO 0.00 0.00 -0.13 0.26 -1.33 0.00 0.00 177.39 176.19 2hsp s TRP 53 N 3.85 -0.12 -0.12 -1.77 0.52 1.01 -4.27 118.94 118.04 2hsp s TRP 53 Ca 0.00 0.25 -0.06 0.00 0.02 0.00 0.00 56.10 56.31 2hsp s TRP 53 Cb 0.00 0.03 0.05 0.00 -1.15 0.00 0.00 33.47 32.40 2hsp s TRP 53 CO 0.00 -0.21 0.28 -0.06 0.02 0.00 0.00 176.95 176.98 2hsp s PHE 54 N -0.64 -0.39 0.71 -1.98 0.08 -0.17 -3.71 117.98 111.88 2hsp s PHE 54 Ca -0.07 0.91 -0.16 0.00 0.12 0.00 0.00 56.93 57.72 2hsp s PHE 54 Cb -0.04 0.09 -0.02 0.00 -0.57 0.00 0.00 43.02 42.48 2hsp s PHE 54 CO 0.01 -0.26 0.78 -2.30 -0.10 0.00 0.00 175.22 173.35 2hsp n PRO 55 N 4.30 0.43 -0.17 0.24 -0.02 -1.26 0.39 135.00 138.91 2hsp n PRO 55 Ca -0.24 0.20 0.10 0.00 -2.02 0.00 0.00 63.50 61.54 2hsp n PRO 55 Cb 0.53 -2.05 0.28 0.00 -0.02 0.00 0.00 33.50 32.24 2hsp n PRO 55 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2hsp n SER 56 N -1.04 2.54 -0.00 2.55 2.88 0.93 -1.50 113.62 119.98 2hsp n SER 56 Ca 0.12 -1.89 0.08 0.00 -1.33 0.00 0.00 58.87 55.85 2hsp n SER 56 Cb 0.49 -0.22 -0.12 0.00 -0.75 0.00 0.00 64.21 63.62 2hsp n SER 56 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2hsp n ASN 57 N 0.89 0.88 -0.07 -3.46 5.15 -1.26 -4.58 115.26 112.80 2hsp n ASN 57 Ca 0.17 -0.49 -0.15 0.00 -0.60 0.00 0.00 54.58 53.51 2hsp n ASN 57 Cb 0.44 1.37 -0.06 0.00 -0.53 0.00 0.00 39.78 41.01 2hsp n ASN 57 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 2hsp n TYR 58 N -1.73 0.00 -3.38 1.20 4.02 -1.09 -4.97 117.16 111.21 2hsp n TYR 58 Ca 0.00 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.66 2hsp n TYR 58 Cb 0.35 -0.54 -0.01 0.00 -0.02 0.00 0.00 39.34 39.13 2hsp n TYR 58 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 2hsp s VAL 59 N -2.28 4.82 -0.28 -0.72 -7.23 -0.56 -2.80 120.40 111.35 2hsp s VAL 59 Ca -0.21 -0.57 -0.19 0.00 -1.81 0.00 0.00 61.98 59.20 2hsp s VAL 59 Cb 0.08 -3.75 0.10 0.00 0.56 0.00 0.00 36.38 33.36 2hsp s VAL 59 CO 0.27 -0.46 0.81 -0.70 -0.31 0.00 0.00 175.10 174.71 2hsp s GLU 60 N -4.31 0.63 -0.93 4.82 2.56 -1.26 -4.63 118.70 115.57 2hsp s GLU 60 Ca 0.41 0.97 -0.10 0.00 0.00 0.00 0.00 54.97 56.25 2hsp s GLU 60 Cb -0.10 0.19 -0.31 0.00 2.00 0.00 0.00 34.13 35.92 2hsp s GLU 60 CO 0.35 -0.11 2.11 0.39 -0.56 0.00 0.00 175.26 177.44 2hsp n GLU 61 N 3.57 0.04 -1.29 4.30 1.02 -1.26 -3.56 120.64 123.45 2hsp n GLU 61 Ca -0.17 -0.06 -0.02 0.00 -0.02 0.00 0.00 57.16 56.89 2hsp n GLU 61 Cb 0.57 -1.18 0.00 0.00 -0.02 0.00 0.00 31.44 30.81 2hsp n GLU 61 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 2hsp n MET 62 N 5.67 -0.13 -1.97 3.49 2.81 -1.26 -3.98 117.12 121.74 2hsp n MET 62 Ca 0.63 0.23 0.00 0.00 -1.81 0.00 0.00 57.70 56.75 2hsp n MET 62 Cb 0.18 -0.30 0.00 0.00 -0.71 0.00 0.00 33.22 32.39 2hsp n MET 62 CO 0.00 0.00 0.00 1.55 1.51 0.00 0.00 175.97 179.03 2hsp n VAL 63 N 0.61 -0.42 -3.85 2.03 3.14 -1.23 -4.93 118.33 113.67 2hsp n VAL 63 Ca -0.00 0.10 -0.33 0.00 -2.96 0.00 0.00 64.34 61.15 2hsp n VAL 63 Cb 0.14 -1.56 -0.12 0.00 -1.06 0.00 0.00 33.84 31.24 2hsp n VAL 63 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 2hsp s ASN 64 N -0.02 4.76 0.00 6.55 0.01 -1.26 -4.98 114.94 120.01 2hsp s ASN 64 Ca 0.00 -2.87 -0.04 0.00 -0.71 0.00 0.00 52.86 49.25 2hsp s ASN 64 Cb 0.00 -1.74 -0.17 0.00 0.41 0.00 0.00 41.25 39.76 2hsp s ASN 64 CO 0.00 -0.31 2.61 -0.81 -1.51 0.00 0.00 177.10 177.08 2hsp n PRO 65 N 3.38 1.37 -4.93 -0.60 -0.04 -1.26 -4.81 135.00 128.11 2hsp n PRO 65 Ca 0.06 -0.62 -0.33 0.00 -0.04 0.00 0.00 63.50 62.57 2hsp n PRO 65 Cb 0.35 -1.75 -0.16 0.00 -0.04 0.00 0.00 33.50 31.91 2hsp n PRO 65 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2hsp s GLU 66 N 1.34 3.19 0.00 0.54 2.02 -1.26 -5.03 118.70 119.49 2hsp s GLU 66 Ca 0.42 -0.79 0.00 0.00 0.02 0.00 0.00 54.97 54.61 2hsp s GLU 66 Cb 0.20 -2.47 0.00 0.00 0.10 0.00 0.00 34.13 31.96 2hsp s GLU 66 CO 0.00 0.15 0.00 0.41 0.02 0.00 0.00 175.26 175.84 2hsp n GLY 67 N 3.64 -0.08 0.89 -1.39 0.00 -1.26 -5.02 105.19 101.98 2hsp n GLY 67 Ca -0.19 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.83 2hsp n GLY 67 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2hsp n ILE 68 N -1.22 -0.04 -2.77 -0.61 -0.00 -1.26 -4.90 119.36 108.56 2hsp n ILE 68 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 62.75 62.75 2hsp n ILE 68 Cb 0.00 -0.04 0.01 0.00 -0.00 0.00 0.00 39.64 39.62 2hsp n ILE 68 CO 0.00 0.00 0.00 -2.28 -0.00 0.00 0.00 176.55 174.27 2hsp s HIS 69 N -0.01 -0.57 0.00 1.39 2.46 -1.26 -5.17 115.29 112.13 2hsp s HIS 69 Ca 0.00 -0.03 0.00 0.00 0.47 0.00 0.00 55.06 55.50 2hsp s HIS 69 Cb -0.00 0.11 0.00 0.00 -0.13 0.00 0.00 32.58 32.56 2hsp s HIS 69 CO 0.01 -0.41 0.00 0.54 -2.47 0.00 0.00 174.74 172.40 2hsp n ARG 70 N 3.31 1.23 -0.09 2.88 1.74 -1.26 -5.32 116.66 119.16 2hsp n ARG 70 Ca 0.09 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.17 2hsp n ARG 70 Cb 0.63 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.07 2hsp n ARG 70 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64