#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2inp s LEU 4 N 0.00 4.23 0.65 2.61 1.02 -1.26 0.15 118.68 126.08 2inp s LEU 4 Ca 0.00 1.84 -0.07 0.00 0.02 0.00 0.00 54.13 55.92 2inp s LEU 4 Cb 0.00 -3.54 0.03 0.00 0.02 0.00 0.00 46.19 42.70 2inp s LEU 4 CO 0.00 -0.76 0.97 0.68 0.02 0.00 0.00 176.35 177.26 2inp s VAL 5 N 3.29 3.07 0.06 -1.59 -7.23 0.12 -4.86 120.40 113.26 2inp s VAL 5 Ca 0.59 -0.05 -0.26 0.00 -1.81 0.00 0.00 61.98 60.45 2inp s VAL 5 Cb -0.25 -3.27 0.08 0.00 0.56 0.00 0.00 36.38 33.50 2inp s VAL 5 CO 0.19 -0.30 0.73 0.72 -0.31 0.00 0.00 175.10 176.14 2inp s PHE 6 N -3.14 -0.47 -0.14 2.82 -0.12 -1.15 -2.90 117.98 112.88 2inp s PHE 6 Ca 0.57 0.38 -0.06 0.00 -0.05 0.00 0.00 56.93 57.77 2inp s PHE 6 Cb -0.11 0.53 0.06 0.00 -0.63 0.00 0.00 43.02 42.88 2inp s PHE 6 CO 0.46 -0.69 0.30 -1.50 -0.05 0.00 0.00 175.22 173.74 2inp s ILE 7 N -3.14 -0.23 0.00 -4.49 2.07 -1.08 0.63 121.20 114.96 2inp s ILE 7 Ca 0.01 0.18 0.04 0.00 -1.41 0.00 0.00 60.65 59.47 2inp s ILE 7 Cb -0.01 -0.48 -0.03 0.00 0.13 0.00 0.00 42.46 42.07 2inp s ILE 7 CO -0.09 0.08 -0.09 0.54 -1.91 0.00 0.00 174.94 173.47 2inp s VAL 8 N 1.82 3.49 0.33 4.00 0.11 -1.24 -1.51 120.40 127.40 2inp s VAL 8 Ca -0.05 -0.81 0.08 0.00 -2.93 0.00 0.00 61.98 58.26 2inp s VAL 8 Cb -0.11 -2.50 -0.06 0.00 -1.53 0.00 0.00 36.38 32.18 2inp s VAL 8 CO -0.10 0.41 -0.06 -0.36 -3.33 0.00 0.00 175.10 171.67 2inp s PHE 9 N -0.96 2.24 -0.61 1.54 0.40 0.11 -4.31 117.98 116.38 2inp s PHE 9 Ca 0.16 -0.63 -0.35 0.00 -0.60 0.00 0.00 56.93 55.51 2inp s PHE 9 Cb -0.11 -1.34 -0.16 0.00 0.51 0.00 0.00 43.02 41.91 2inp s PHE 9 CO 0.06 0.42 2.36 1.04 0.70 0.00 0.00 175.22 179.80 2inp n GLN 10 N -0.74 0.44 -1.59 0.44 3.00 -0.81 -1.67 117.38 116.44 2inp n GLN 10 Ca -0.05 0.08 -0.14 0.00 -0.01 0.00 0.00 57.00 56.88 2inp n GLN 10 Cb 0.64 -2.01 -0.09 0.00 0.00 0.00 0.00 30.24 28.78 2inp n GLN 10 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 2inp s ASP 11 N 8.06 3.74 0.31 1.08 3.68 -1.24 -4.48 116.67 127.82 2inp s ASP 11 Ca 1.19 -0.33 0.05 0.00 2.13 0.00 0.00 52.55 55.60 2inp s ASP 11 Cb -1.08 -2.57 -0.03 0.00 -1.45 0.00 0.00 42.92 37.79 2inp s ASP 11 CO 0.51 -4.18 0.24 0.21 0.13 0.00 0.00 175.17 172.08 2inp s ASN 12 N 9.99 1.43 -0.12 -0.34 3.84 -1.26 -4.75 114.94 123.72 2inp s ASN 12 Ca 0.88 -1.68 -0.27 0.00 0.21 0.00 0.00 52.86 52.00 2inp s ASN 12 Cb -0.10 0.52 -0.24 0.00 -0.55 0.00 0.00 41.25 40.88 2inp s ASN 12 CO 0.11 -1.01 0.78 -0.78 -2.79 0.00 0.00 177.10 173.41 2inp h ASP 13 N 2.22 -0.01 -0.66 -4.21 3.58 -2.02 -3.19 116.42 112.14 2inp h ASP 13 Ca -0.28 -0.87 -0.02 0.00 0.42 0.00 0.00 57.03 56.28 2inp h ASP 13 Cb 1.24 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.26 2inp h ASP 13 CO 0.41 0.90 0.32 0.44 -2.88 0.00 0.00 179.24 178.43 2inp h ASP 14 N -0.95 0.86 0.19 2.28 3.32 -1.99 -2.96 116.42 117.17 2inp h ASP 14 Ca -0.00 -0.13 -0.02 0.00 0.02 0.00 0.00 57.03 56.90 2inp h ASP 14 Cb 0.88 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 40.20 2inp h ASP 14 CO 0.00 0.74 -0.09 0.28 -1.72 0.00 0.00 179.24 178.46 2inp h SER 15 N 0.91 0.00 -0.18 6.45 0.02 -1.79 -2.31 113.55 116.64 2inp h SER 15 Ca 0.23 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.23 2inp h SER 15 Cb 0.11 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.58 2inp h SER 15 CO -0.03 0.09 -0.30 -0.09 -1.14 0.00 0.00 176.83 175.36 2inp h ARG 16 N 0.00 -0.33 -0.62 3.45 2.43 -1.50 0.40 114.38 118.21 2inp h ARG 16 Ca -0.00 0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.16 2inp h ARG 16 Cb 0.20 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.80 2inp h ARG 16 CO 0.01 -0.22 0.24 1.88 -1.51 0.00 0.00 179.97 180.37 2inp h TYR 17 N -0.35 0.91 -0.67 2.20 0.99 -1.60 -1.56 116.97 116.90 2inp h TYR 17 Ca 0.11 -0.06 -0.07 0.00 2.00 0.00 0.00 58.73 60.72 2inp h TYR 17 Cb 0.52 -0.28 -0.03 0.00 1.00 0.00 0.00 36.73 37.95 2inp h TYR 17 CO -0.41 0.71 0.14 1.37 -0.00 0.00 0.00 178.16 179.96 2inp h LEU 18 N 0.89 1.03 -0.14 3.88 -0.00 -0.87 -1.87 115.31 118.23 2inp h LEU 18 Ca 0.21 -0.24 -0.03 0.00 -0.00 0.00 0.00 57.88 57.81 2inp h LEU 18 Cb 0.19 -0.27 -0.00 0.00 -0.00 0.00 0.00 40.66 40.57 2inp h LEU 18 CO -0.02 1.01 -0.05 0.00 -0.00 0.00 0.00 178.44 179.39 2inp h ALA 19 N 1.06 0.20 -0.12 0.17 0.00 -0.04 -2.97 119.26 117.56 2inp h ALA 19 Ca 0.21 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.91 2inp h ALA 19 Cb 0.40 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 2inp h ALA 19 CO 0.01 -0.04 0.09 0.93 0.00 0.00 0.00 179.25 180.24 2inp h GLU 20 N -0.04 0.00 0.00 0.00 5.08 -1.26 -0.50 114.58 117.87 2inp h GLU 20 Ca 0.03 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 2inp h GLU 20 Cb 0.49 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 2inp h GLU 20 CO 0.02 0.00 -0.21 0.00 -1.00 0.00 0.00 179.01 177.82 2inp h ALA 21 N 1.93 1.03 0.00 3.43 0.00 -1.22 -2.38 119.26 122.05 2inp h ALA 21 Ca 0.05 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2inp h ALA 21 Cb 0.23 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2inp h ALA 21 CO -0.00 0.26 -1.29 0.28 0.00 0.00 0.00 179.25 178.49 2inp n VAL 22 N -3.38 0.05 1.00 0.00 0.31 -0.39 -3.88 118.33 112.03 2inp n VAL 22 Ca 0.00 -0.22 0.10 0.00 -0.01 0.00 0.00 64.34 64.22 2inp n VAL 22 Cb 0.41 0.47 -0.03 0.00 -0.91 0.00 0.00 33.84 33.79 2inp n VAL 22 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 2inp n MET 23 N -1.85 0.00 -2.06 5.55 2.00 -0.33 -3.05 117.12 117.37 2inp n MET 23 Ca 0.01 -0.00 -0.25 0.00 0.00 0.00 0.00 57.70 57.46 2inp n MET 23 Cb 0.43 -1.50 0.02 0.00 0.00 0.00 0.00 33.22 32.17 2inp n MET 23 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 2inp n GLU 24 N -1.50 3.56 0.00 0.03 1.02 -0.90 -4.31 120.64 118.54 2inp n GLU 24 Ca 0.04 -4.19 0.00 0.00 -0.02 0.00 0.00 57.16 52.99 2inp n GLU 24 Cb 0.33 -2.28 0.00 0.00 -0.02 0.00 0.00 31.44 29.48 2inp n GLU 24 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2inp n ASP 25 N -0.68 0.00 -3.19 1.62 8.00 -1.25 -4.94 116.55 116.11 2inp n ASP 25 Ca 0.44 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.73 2inp n ASP 25 Cb 0.92 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.97 2inp n ASP 25 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2inp n ASN 26 N 0.00 0.94 0.00 -2.24 3.02 -1.17 -4.83 115.26 110.98 2inp n ASN 26 Ca 0.00 -2.95 0.00 0.00 -0.03 0.00 0.00 54.58 51.60 2inp n ASN 26 Cb 0.00 -0.63 0.00 0.00 -0.61 0.00 0.00 39.78 38.54 2inp n ASN 26 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2inp n PRO 27 N 0.72 0.00 -0.01 3.52 -0.04 -1.26 0.18 135.00 138.11 2inp n PRO 27 Ca 0.24 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.78 2inp n PRO 27 Cb 0.58 -1.10 -0.12 0.00 -0.04 0.00 0.00 33.50 32.82 2inp n PRO 27 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2inp n ASP 28 N -0.52 1.06 -4.76 3.54 10.43 -1.26 -5.01 116.55 120.03 2inp n ASP 28 Ca 0.00 -0.28 -0.41 0.00 2.57 0.00 0.00 54.79 56.67 2inp n ASP 28 Cb 0.00 1.52 -0.02 0.00 1.84 0.00 0.00 41.12 44.45 2inp n ASP 28 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2inp s ALA 29 N -2.95 3.51 -0.29 2.24 0.00 0.48 -4.82 121.76 119.93 2inp s ALA 29 Ca -0.02 1.22 -0.09 0.00 0.00 0.00 0.00 51.96 53.06 2inp s ALA 29 Cb 0.11 -3.47 -0.02 0.00 0.00 0.00 0.00 23.12 19.74 2inp s ALA 29 CO 0.68 -0.60 0.14 -2.00 0.00 0.00 0.00 175.76 173.98 2inp s GLU 30 N -1.38 3.54 -0.27 0.00 2.12 -1.18 -5.00 118.70 116.54 2inp s GLU 30 Ca 0.51 -0.58 -0.16 0.00 0.36 0.00 0.00 54.97 55.10 2inp s GLU 30 Cb -0.39 -3.52 -0.03 0.00 0.26 0.00 0.00 34.13 30.45 2inp s GLU 30 CO 0.49 -0.31 0.42 1.41 -0.54 0.00 0.00 175.26 176.73 2inp s MET 31 N 1.64 4.03 0.33 4.30 -2.45 -1.26 -0.25 119.30 125.64 2inp s MET 31 Ca 0.06 0.13 0.09 0.00 -1.25 0.00 0.00 55.69 54.71 2inp s MET 31 Cb -0.16 -3.66 -0.05 0.00 1.25 0.00 0.00 34.83 32.21 2inp s MET 31 CO 0.06 -0.30 0.06 1.14 1.05 0.00 0.00 175.02 177.03 2inp s GLN 32 N 2.15 2.21 -0.12 4.11 -2.07 0.33 -4.98 119.66 121.30 2inp s GLN 32 Ca 0.17 -1.63 0.02 0.00 -1.82 0.00 0.00 55.36 52.10 2inp s GLN 32 Cb -0.16 -2.05 0.01 0.00 -1.09 0.00 0.00 33.01 29.73 2inp s GLN 32 CO 0.10 0.16 -0.17 -1.01 -1.32 0.00 0.00 175.29 173.05 2inp s HIS 33 N -2.46 2.14 0.49 9.60 3.76 -1.26 -1.02 115.29 126.53 2inp s HIS 33 Ca 0.35 -1.03 0.07 0.00 -0.15 0.00 0.00 55.06 54.30 2inp s HIS 33 Cb -0.02 -1.52 0.02 0.00 1.11 0.00 0.00 32.58 32.17 2inp s HIS 33 CO 0.21 -0.51 0.44 -0.65 -0.85 0.00 0.00 174.74 173.37 2inp s GLN 34 N 0.97 2.39 0.00 1.40 -0.21 -1.10 -5.01 119.66 118.09 2inp s GLN 34 Ca -0.06 -1.75 0.00 0.00 0.02 0.00 0.00 55.36 53.57 2inp s GLN 34 Cb -0.15 -2.29 0.00 0.00 1.00 0.00 0.00 33.01 31.57 2inp s GLN 34 CO -0.02 -0.45 0.00 -2.30 -2.12 0.00 0.00 175.29 170.40 2inp n PRO 35 N -1.72 0.00 -0.59 2.91 -0.02 -1.26 -2.84 135.00 131.49 2inp n PRO 35 Ca 0.03 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.46 2inp n PRO 35 Cb 0.63 -0.21 -0.07 0.00 -0.02 0.00 0.00 33.50 33.83 2inp n PRO 35 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2inp n ALA 36 N -3.00 4.31 -3.60 3.55 0.00 -1.26 -4.73 120.51 115.78 2inp n ALA 36 Ca 0.00 -0.76 -0.13 0.00 0.00 0.00 0.00 53.44 52.54 2inp n ALA 36 Cb 0.00 -1.83 -0.07 0.00 0.00 0.00 0.00 19.45 17.55 2inp n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2inp s MET 37 N 1.05 0.79 -0.30 0.00 0.23 -1.13 -3.66 119.30 116.27 2inp s MET 37 Ca 0.28 0.67 -0.06 0.00 -1.03 0.00 0.00 55.69 55.56 2inp s MET 37 Cb 0.13 0.38 0.02 0.00 -1.53 0.00 0.00 34.83 33.83 2inp s MET 37 CO 0.00 -0.15 0.06 0.42 -2.03 0.00 0.00 175.02 173.32 2inp s ILE 38 N -0.12 3.68 -0.18 3.16 1.01 -0.67 -2.72 121.20 125.37 2inp s ILE 38 Ca -0.02 -0.88 -0.06 0.00 0.00 0.00 0.00 60.65 59.69 2inp s ILE 38 Cb -0.04 -2.95 -0.04 0.00 0.01 0.00 0.00 42.46 39.45 2inp s ILE 38 CO 0.01 0.04 0.03 -0.13 0.00 0.00 0.00 174.94 174.89 2inp s ARG 39 N 1.44 3.87 -0.28 2.79 1.81 -0.19 0.04 118.95 128.42 2inp s ARG 39 Ca 0.01 -0.40 -0.01 0.00 -1.72 0.00 0.00 55.73 53.61 2inp s ARG 39 Cb -0.18 -3.12 0.05 0.00 -0.45 0.00 0.00 34.95 31.25 2inp s ARG 39 CO 0.01 0.25 -0.03 0.42 -0.68 0.00 0.00 175.30 175.26 2inp s ILE 40 N 0.41 2.80 0.66 1.52 1.01 -0.57 0.12 121.20 127.16 2inp s ILE 40 Ca 0.01 -1.39 -0.06 0.00 0.00 0.00 0.00 60.65 59.22 2inp s ILE 40 Cb -0.13 -2.59 0.14 0.00 0.01 0.00 0.00 42.46 39.89 2inp s ILE 40 CO 0.01 -0.05 0.91 0.00 0.00 0.00 0.00 174.94 175.81 2inp n GLN 41 N 4.59 -0.42 0.00 2.79 1.13 0.65 -2.63 117.38 123.49 2inp n GLN 41 Ca -0.14 -1.94 0.00 0.00 -1.94 0.00 0.00 57.00 52.98 2inp n GLN 41 Cb 0.44 -0.77 0.00 0.00 0.11 0.00 0.00 30.24 30.02 2inp n GLN 41 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2inp n ALA 42 N -3.25 0.00 -2.33 -1.58 0.00 -1.14 -3.13 120.51 109.07 2inp n ALA 42 Ca -0.15 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.87 2inp n ALA 42 Cb 0.47 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.88 2inp n ALA 42 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2inp s GLU 43 N -2.06 4.46 0.00 0.00 2.56 -1.26 0.11 118.70 122.51 2inp s GLU 43 Ca 0.00 1.77 0.00 0.00 0.00 0.00 0.00 54.97 56.74 2inp s GLU 43 Cb 0.00 -3.33 0.00 0.00 2.00 0.00 0.00 34.13 32.80 2inp s GLU 43 CO 0.00 -0.19 0.00 0.36 -0.56 0.00 0.00 175.26 174.87 2inp n LYS 44 N 3.54 0.00 -3.79 4.30 0.00 0.39 -4.75 118.16 117.85 2inp n LYS 44 Ca 0.07 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.27 2inp n LYS 44 Cb 0.46 -0.36 -0.08 0.00 -0.00 0.00 0.00 35.03 35.06 2inp n LYS 44 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 2inp s ARG 45 N 0.00 0.74 0.02 -1.58 3.03 -1.26 0.12 118.95 120.03 2inp s ARG 45 Ca 0.00 -0.53 -0.02 0.00 2.03 0.00 0.00 55.73 57.21 2inp s ARG 45 Cb 0.00 0.32 -0.02 0.00 -1.03 0.00 0.00 34.95 34.22 2inp s ARG 45 CO 0.00 -0.23 0.02 -0.51 -1.13 0.00 0.00 175.30 173.46 2inp s LEU 46 N -2.00 2.07 -0.05 -1.89 1.43 0.20 -4.87 118.68 113.57 2inp s LEU 46 Ca -0.06 -0.51 -0.04 0.00 -1.03 0.00 0.00 54.13 52.49 2inp s LEU 46 Cb -0.01 0.31 0.01 0.00 0.03 0.00 0.00 46.19 46.53 2inp s LEU 46 CO -0.03 -0.39 0.12 0.54 0.23 0.00 0.00 176.35 176.82 2inp s VAL 47 N -1.95 -0.01 -0.05 -1.59 0.11 -1.26 -0.78 120.40 114.87 2inp s VAL 47 Ca -0.11 0.03 -0.01 0.00 -2.93 0.00 0.00 61.98 58.96 2inp s VAL 47 Cb -0.06 -0.18 -0.04 0.00 -1.53 0.00 0.00 36.38 34.58 2inp s VAL 47 CO -0.02 0.01 0.02 -0.63 -3.33 0.00 0.00 175.10 171.15 2inp s ILE 48 N 0.21 4.41 -0.11 7.04 1.01 0.62 -4.67 121.20 129.71 2inp s ILE 48 Ca -0.01 -0.35 0.02 0.00 0.00 0.00 0.00 60.65 60.31 2inp s ILE 48 Cb -0.02 -2.92 0.01 0.00 0.01 0.00 0.00 42.46 39.54 2inp s ILE 48 CO -0.01 0.50 -0.18 0.20 0.00 0.00 0.00 174.94 175.45 2inp s ASN 49 N -1.23 2.60 0.42 3.58 -0.87 -1.26 -1.79 114.94 116.38 2inp s ASN 49 Ca 0.17 -0.47 0.27 0.00 -1.57 0.00 0.00 52.86 51.25 2inp s ASN 49 Cb -0.12 -1.18 1.36 0.00 -0.02 0.00 0.00 41.25 41.30 2inp s ASN 49 CO 0.07 0.06 1.63 0.08 -2.57 0.00 0.00 177.10 176.36 2inp h ARG 50 N 7.19 0.11 -0.56 -0.60 -0.00 -1.95 -0.03 114.38 118.54 2inp h ARG 50 Ca -0.29 -0.01 -0.04 0.00 -0.00 0.00 0.00 59.98 59.65 2inp h ARG 50 Cb 1.19 -0.02 -0.03 0.00 -0.00 0.00 0.00 29.97 31.11 2inp h ARG 50 CO 0.50 0.07 0.19 1.49 -0.00 0.00 0.00 179.97 182.21 2inp h GLU 51 N 0.11 0.83 -0.19 0.08 4.57 -1.94 0.25 114.58 118.29 2inp h GLU 51 Ca 0.81 -0.14 -0.22 0.00 -1.18 0.00 0.00 59.36 58.63 2inp h GLU 51 Cb 2.39 -0.14 0.01 0.00 -0.16 0.00 0.00 28.75 30.85 2inp h GLU 51 CO -0.49 0.71 -0.73 1.15 -1.18 0.00 0.00 179.01 178.47 2inp h THR 52 N 0.81 1.27 0.00 0.32 2.02 -1.38 -2.85 112.91 113.11 2inp h THR 52 Ca 0.19 -1.91 -0.06 0.00 0.77 0.00 0.00 66.41 65.40 2inp h THR 52 Cb 0.22 1.89 -0.01 0.00 -1.74 0.00 0.00 68.15 68.51 2inp h THR 52 CO -0.01 0.61 -0.26 0.24 0.37 0.00 0.00 175.52 176.47 2inp h MET 53 N 0.58 0.00 -0.00 6.66 2.86 -1.40 -3.24 114.93 120.39 2inp h MET 53 Ca -0.04 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.58 2inp h MET 53 Cb 1.35 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.01 2inp h MET 53 CO 0.15 0.26 -0.09 0.93 1.06 0.00 0.00 176.91 179.23 2inp h GLU 54 N 0.00 0.06 0.00 1.72 5.08 -0.41 -3.09 114.58 117.94 2inp h GLU 54 Ca -0.00 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2inp h GLU 54 Cb 0.70 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.97 2inp h GLU 54 CO 0.03 0.83 0.00 1.49 -1.00 0.00 0.00 179.01 180.36 2inp h GLU 55 N -0.67 0.00 0.00 2.33 4.22 -1.60 -3.00 114.58 115.86 2inp h GLU 55 Ca -0.01 0.00 -0.09 0.00 0.08 0.00 0.00 59.36 59.34 2inp h GLU 55 Cb 0.86 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.09 2inp h GLU 55 CO 0.02 0.00 -1.15 0.87 -2.18 0.00 0.00 179.01 176.57 2inp h LYS 56 N 0.00 0.00 0.00 1.92 1.57 -1.61 -3.36 116.57 115.08 2inp h LYS 56 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2inp h LYS 56 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 2inp h LYS 56 CO 0.00 0.17 -1.32 1.28 -0.57 0.00 0.00 179.45 179.01 2inp n LEU 57 N -2.83 0.38 -2.21 2.94 4.77 -1.17 -5.00 117.00 113.89 2inp n LEU 57 Ca -0.05 -0.24 -0.13 0.00 -0.03 0.00 0.00 56.01 55.57 2inp n LEU 57 Cb 0.70 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.84 2inp n LEU 57 CO 0.41 0.09 0.13 0.61 -1.33 0.00 0.00 177.39 177.30 2inp n GLY 58 N 1.46 0.12 3.50 -0.72 0.00 -1.14 -5.02 105.19 103.38 2inp n GLY 58 Ca -0.00 -0.17 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 2inp n GLY 58 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2inp s ARG 59 N -5.59 0.87 0.25 1.61 3.52 -1.25 -5.13 118.95 113.22 2inp s ARG 59 Ca 0.28 -0.31 -0.30 0.00 -0.13 0.00 0.00 55.73 55.27 2inp s ARG 59 Cb -0.12 0.40 -0.11 0.00 -1.56 0.00 0.00 34.95 33.56 2inp s ARG 59 CO 0.40 -0.38 1.53 -0.51 -0.81 0.00 0.00 175.30 175.53 2inp s ASP 60 N -2.48 6.53 -0.08 -2.12 -0.00 -1.26 -4.67 116.67 112.59 2inp s ASP 60 Ca 0.04 2.78 0.02 0.00 -0.00 0.00 0.00 52.55 55.39 2inp s ASP 60 Cb -0.01 -2.62 0.01 0.00 -0.00 0.00 0.00 42.92 40.30 2inp s ASP 60 CO -0.09 -0.81 -0.12 0.86 -0.00 0.00 0.00 175.17 175.01 2inp s TRP 61 N 0.19 1.55 0.01 4.23 -0.00 -1.26 -5.07 118.94 118.59 2inp s TRP 61 Ca 0.63 -0.63 -0.06 0.00 -0.00 0.00 0.00 56.10 56.04 2inp s TRP 61 Cb -0.45 -1.15 -0.05 0.00 -0.00 0.00 0.00 33.47 31.83 2inp s TRP 61 CO 0.43 -0.34 0.26 0.34 -0.00 0.00 0.00 176.95 177.64 2inp s ASP 62 N 0.86 6.48 0.09 5.86 3.68 -1.26 -4.90 116.67 127.48 2inp s ASP 62 Ca -0.11 0.53 -0.35 0.00 2.13 0.00 0.00 52.55 54.76 2inp s ASP 62 Cb -0.15 -2.08 -0.16 0.00 -1.45 0.00 0.00 42.92 39.08 2inp s ASP 62 CO 0.01 0.25 1.57 0.58 0.13 0.00 0.00 175.17 177.71 2inp h VAL 63 N 2.97 0.05 0.00 1.11 2.07 -1.96 -2.80 116.25 117.70 2inp h VAL 63 Ca -0.50 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.02 2inp h VAL 63 Cb 1.19 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 2inp h VAL 63 CO 0.67 0.00 0.58 1.56 0.02 0.00 0.00 177.57 180.40 2inp h GLN 64 N -0.93 0.00 0.00 1.57 4.20 -1.96 0.81 115.11 118.80 2inp h GLN 64 Ca -0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.66 2inp h GLN 64 Cb 0.83 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.61 2inp h GLN 64 CO -0.10 0.00 -0.20 1.49 -0.67 0.00 0.00 178.83 179.35 2inp h GLU 65 N 0.00 0.00 -0.73 1.46 4.81 -1.92 -3.19 114.58 115.01 2inp h GLU 65 Ca 0.00 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 2inp h GLU 65 Cb 1.16 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.51 2inp h GLU 65 CO 0.00 0.00 0.30 1.98 -0.73 0.00 0.00 179.01 180.56 2inp h MET 66 N 0.00 1.07 -1.01 1.92 4.05 0.51 -3.22 114.93 118.25 2inp h MET 66 Ca 0.00 -0.18 0.24 0.00 -0.28 0.00 0.00 59.70 59.48 2inp h MET 66 Cb 0.84 -0.18 -0.11 0.00 -0.80 0.00 0.00 31.60 31.35 2inp h MET 66 CO 0.00 0.86 0.61 1.37 0.23 0.00 0.00 176.91 179.99 2inp h LEU 67 N 1.05 0.65 -1.37 3.39 8.10 -1.68 0.37 115.31 125.82 2inp h LEU 67 Ca 0.25 0.11 0.34 0.00 0.11 0.00 0.00 57.88 58.69 2inp h LEU 67 Cb 0.19 0.01 -0.11 0.00 -0.44 0.00 0.00 40.66 40.31 2inp h LEU 67 CO -0.02 0.14 0.73 -0.29 -4.11 0.00 0.00 178.44 174.89 2inp h ILE 68 N 0.58 0.35 0.00 0.15 2.10 -1.77 -2.90 117.51 116.02 2inp h ILE 68 Ca 0.62 -0.09 -0.20 0.00 1.08 0.00 0.00 64.86 66.27 2inp h ILE 68 Cb 1.21 0.07 -0.04 0.00 -1.09 0.00 0.00 36.82 36.97 2inp h ILE 68 CO -0.41 0.05 -1.86 0.59 -1.08 0.00 0.00 178.15 175.44 2inp n ASN 69 N -4.67 1.76 -3.16 2.19 3.02 0.09 -4.99 115.26 109.48 2inp n ASN 69 Ca 0.30 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.76 2inp n ASN 69 Cb 1.10 0.97 0.09 0.00 -0.61 0.00 0.00 39.78 41.33 2inp n ASN 69 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 2inp n VAL 70 N -2.40 0.00 0.00 2.41 3.14 -1.00 -1.93 118.33 118.54 2inp n VAL 70 Ca -0.18 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.20 2inp n VAL 70 Cb 0.83 -0.29 0.00 0.00 -1.06 0.00 0.00 33.84 33.32 2inp n VAL 70 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 2inp n SER 72 N -2.49 0.00 -3.33 6.55 3.41 -1.26 -4.83 113.62 111.66 2inp n SER 72 Ca 0.04 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.59 2inp n SER 72 Cb 0.18 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.13 2inp n SER 72 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 2inp s ILE 73 N 0.00 0.00 -0.28 -1.33 2.07 -1.26 -3.63 121.20 116.77 2inp s ILE 73 Ca 0.00 -0.86 -0.19 0.00 -1.41 0.00 0.00 60.65 58.19 2inp s ILE 73 Cb 0.00 -2.58 0.11 0.00 0.13 0.00 0.00 42.46 40.12 2inp s ILE 73 CO 0.00 0.00 0.84 0.00 -1.91 0.00 0.00 174.94 173.87 2inp s ALA 74 N -2.74 -2.00 0.00 1.50 0.00 0.21 -4.77 121.76 113.95 2inp s ALA 74 Ca 0.15 2.20 0.00 0.00 0.00 0.00 0.00 51.96 54.31 2inp s ALA 74 Cb -0.04 -1.48 0.00 0.00 0.00 0.00 0.00 23.12 21.60 2inp s ALA 74 CO 0.08 -0.34 0.00 0.41 0.00 0.00 0.00 175.76 175.91 2inp n GLY 75 N 3.49 -3.28 3.70 0.00 0.00 -1.26 -2.93 105.19 104.91 2inp n GLY 75 Ca -0.17 -2.11 -0.42 0.00 0.00 0.00 0.00 46.02 43.32 2inp n GLY 75 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2inp s ASN 76 N -1.42 7.19 -0.12 1.61 0.01 0.25 -4.70 114.94 117.76 2inp s ASN 76 Ca 0.00 1.45 -0.26 0.00 -0.71 0.00 0.00 52.86 53.34 2inp s ASN 76 Cb 0.00 -2.52 -0.02 0.00 0.41 0.00 0.00 41.25 39.12 2inp s ASN 76 CO 0.00 -0.32 0.83 -0.69 -1.51 0.00 0.00 177.10 175.42 2inp s VAL 77 N 1.48 4.91 -0.31 1.60 1.01 -1.26 -2.06 120.40 125.77 2inp s VAL 77 Ca 0.46 1.68 -0.00 0.00 0.00 0.00 0.00 61.98 64.11 2inp s VAL 77 Cb -0.19 -4.15 0.10 0.00 0.00 0.00 0.00 36.38 32.14 2inp s VAL 77 CO 0.20 0.10 0.09 -0.62 0.00 0.00 0.00 175.10 174.87 2inp s ASP 78 N 1.05 4.10 -0.03 3.32 -1.08 -0.48 -5.01 116.67 118.54 2inp s ASP 78 Ca 0.41 -1.68 0.03 0.00 -0.52 0.00 0.00 52.55 50.79 2inp s ASP 78 Cb -0.18 -0.96 -0.03 0.00 -1.46 0.00 0.00 42.92 40.30 2inp s ASP 78 CO 0.16 -0.41 -0.10 -0.70 0.52 0.00 0.00 175.17 174.64 2inp s GLU 79 N 1.53 2.53 0.18 4.34 2.12 -1.26 -0.99 118.70 127.15 2inp s GLU 79 Ca 0.10 -0.70 0.00 0.00 0.36 0.00 0.00 54.97 54.72 2inp s GLU 79 Cb -0.17 -2.45 0.00 0.00 0.26 0.00 0.00 34.13 31.77 2inp s GLU 79 CO -0.23 0.62 0.00 -0.40 -0.54 0.00 0.00 175.26 174.71 2inp n ASP 80 N 1.95 -0.06 0.00 -1.70 5.68 -1.26 -4.99 116.55 116.17 2inp n ASP 80 Ca -0.17 0.30 0.00 0.00 -0.50 0.00 0.00 54.79 54.43 2inp n ASP 80 Cb 0.52 0.24 0.00 0.00 -1.14 0.00 0.00 41.12 40.74 2inp n ASP 80 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2inp n HIS 83 N -3.12 0.00 -3.73 2.11 -0.00 -1.26 -4.93 115.22 104.29 2inp n HIS 83 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 57.72 57.47 2inp n HIS 83 Cb 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 29.99 29.82 2inp n HIS 83 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 176.34 176.46 2inp s PHE 84 N 0.00 0.69 -0.04 -1.40 5.36 -0.74 -4.99 117.98 116.86 2inp s PHE 84 Ca 0.00 -0.42 0.02 0.00 -0.96 0.00 0.00 56.93 55.56 2inp s PHE 84 Cb 0.00 -0.85 0.01 0.00 -0.34 0.00 0.00 43.02 41.84 2inp s PHE 84 CO 0.00 -0.45 -0.07 0.42 -1.46 0.00 0.00 175.22 173.65 2inp s ILE 85 N 1.97 0.73 -0.20 3.12 1.09 -0.16 -0.28 121.20 127.47 2inp s ILE 85 Ca 0.02 -0.27 -0.10 0.00 -1.10 0.00 0.00 60.65 59.20 2inp s ILE 85 Cb -0.15 -0.69 -0.05 0.00 -1.06 0.00 0.00 42.46 40.51 2inp s ILE 85 CO -0.07 0.25 0.14 -0.76 -0.10 0.00 0.00 174.94 174.41 2inp s LEU 86 N 0.63 4.20 -0.11 2.97 1.43 0.04 -1.38 118.68 126.47 2inp s LEU 86 Ca -0.10 0.23 -0.11 0.00 -1.03 0.00 0.00 54.13 53.12 2inp s LEU 86 Cb -0.13 -2.10 0.03 0.00 0.03 0.00 0.00 46.19 44.01 2inp s LEU 86 CO 0.01 0.16 0.30 -1.61 0.23 0.00 0.00 176.35 175.44 2inp s GLU 87 N 0.46 0.37 0.00 1.70 0.41 -0.88 0.58 118.70 121.34 2inp s GLU 87 Ca 0.08 0.37 0.13 0.00 -0.41 0.00 0.00 54.97 55.15 2inp s GLU 87 Cb -0.11 0.18 0.11 0.00 -1.78 0.00 0.00 34.13 32.52 2inp s GLU 87 CO -0.01 -0.05 0.92 0.91 -0.49 0.00 0.00 175.26 176.54