#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knh s ARG 2 N 0.00 1.39 -0.26 0.03 0.52 -0.98 -4.87 118.95 114.77 3knh s ARG 2 Ca 0.00 -1.10 -0.09 0.00 -0.52 0.00 0.00 55.73 54.02 3knh s ARG 2 Cb 0.00 0.46 -0.04 0.00 0.52 0.00 0.00 34.95 35.90 3knh s ARG 2 CO 0.00 -0.57 0.13 0.50 0.02 0.00 0.00 175.30 175.38 3knh s ARG 3 N -3.96 3.79 0.16 3.54 3.52 -1.26 -2.33 118.95 122.41 3knh s ARG 3 Ca 0.17 -0.40 0.11 0.00 -0.13 0.00 0.00 55.73 55.47 3knh s ARG 3 Cb 0.00 -3.48 -0.04 0.00 -1.56 0.00 0.00 34.95 29.87 3knh s ARG 3 CO 0.03 -0.18 -0.24 0.71 -0.81 0.00 0.00 175.30 174.81 3knh s TYR 4 N 1.68 2.19 -0.28 5.12 2.02 -0.56 -1.93 117.35 125.60 3knh s TYR 4 Ca 0.07 -0.38 0.01 0.00 -0.37 0.00 0.00 57.07 56.39 3knh s TYR 4 Cb -0.15 -1.13 0.05 0.00 -0.40 0.00 0.00 41.96 40.33 3knh s TYR 4 CO 0.07 0.40 -0.06 -1.21 -1.57 0.00 0.00 175.55 173.18 3knh s GLU 5 N -2.42 2.38 0.41 -0.62 2.02 0.10 0.55 118.70 121.12 3knh s GLU 5 Ca 0.17 -1.28 -0.01 0.00 0.02 0.00 0.00 54.97 53.87 3knh s GLU 5 Cb -0.09 -3.02 -0.02 0.00 0.10 0.00 0.00 34.13 31.11 3knh s GLU 5 CO 0.08 -0.57 0.64 0.08 0.02 0.00 0.00 175.26 175.51 3knh s VAL 6 N 1.19 4.59 -0.01 2.63 1.01 -0.11 -1.39 120.40 128.31 3knh s VAL 6 Ca -0.07 -0.36 -0.01 0.00 0.00 0.00 0.00 61.98 61.54 3knh s VAL 6 Cb -0.20 -3.70 0.01 0.00 0.00 0.00 0.00 36.38 32.50 3knh s VAL 6 CO -0.03 -0.51 0.03 0.20 0.00 0.00 0.00 175.10 174.79 3knh s ASN 7 N -4.13 -0.01 -0.01 3.32 0.01 -0.59 -2.92 114.94 110.62 3knh s ASN 7 Ca 0.45 0.06 -0.09 0.00 -0.71 0.00 0.00 52.86 52.56 3knh s ASN 7 Cb -0.10 0.03 0.01 0.00 0.41 0.00 0.00 41.25 41.60 3knh s ASN 7 CO 0.38 -0.04 0.19 -0.63 -1.51 0.00 0.00 177.10 175.50 3knh s ILE 8 N 0.29 0.07 -0.11 0.60 1.01 -1.26 0.06 121.20 121.86 3knh s ILE 8 Ca -0.02 -0.56 -0.00 0.00 0.00 0.00 0.00 60.65 60.06 3knh s ILE 8 Cb -0.03 -0.47 0.03 0.00 0.01 0.00 0.00 42.46 41.99 3knh s ILE 8 CO -0.01 -0.31 -0.07 -0.69 0.00 0.00 0.00 174.94 173.86 3knh s VAL 9 N -1.22 1.00 0.41 2.92 1.01 0.97 -2.05 120.40 123.44 3knh s VAL 9 Ca -0.13 -0.29 0.08 0.00 0.00 0.00 0.00 61.98 61.64 3knh s VAL 9 Cb -0.06 -1.04 0.01 0.00 0.00 0.00 0.00 36.38 35.29 3knh s VAL 9 CO 0.02 0.35 0.55 -0.76 0.00 0.00 0.00 175.10 175.26 3knh s LEU 10 N 1.72 3.65 0.40 3.92 1.02 -0.29 0.19 118.68 129.30 3knh s LEU 10 Ca 0.05 -0.44 -0.24 0.00 0.02 0.00 0.00 54.13 53.52 3knh s LEU 10 Cb -0.13 -2.61 -0.09 0.00 0.02 0.00 0.00 46.19 43.38 3knh s LEU 10 CO -0.08 -0.73 1.05 0.21 0.02 0.00 0.00 176.35 176.82 3knh s ASN 11 N -4.32 6.72 -0.03 2.29 3.84 0.72 -3.05 114.94 121.11 3knh s ASN 11 Ca 0.54 2.04 -0.21 0.00 0.21 0.00 0.00 52.86 55.44 3knh s ASN 11 Cb -0.09 -2.58 -0.29 0.00 -0.55 0.00 0.00 41.25 37.73 3knh s ASN 11 CO 0.32 -0.52 0.97 1.55 -2.79 0.00 0.00 177.10 176.64 3knh h PRO 12 N 2.44 0.34 -3.27 0.43 0.13 -1.91 -3.39 132.00 126.78 3knh h PRO 12 Ca -0.48 -0.50 0.00 0.00 -0.87 0.00 0.00 66.00 64.15 3knh h PRO 12 Cb 1.22 0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.52 3knh h PRO 12 CO 0.62 1.20 0.61 0.09 -0.23 0.00 0.00 178.00 180.29 3knh n ASN 13 N -4.14 0.00 -4.08 1.44 3.02 -1.26 -4.74 115.26 105.50 3knh n ASN 13 Ca -0.13 -1.57 -0.16 0.00 -0.03 0.00 0.00 54.58 52.69 3knh n ASN 13 Cb 0.78 -0.13 -0.13 0.00 -0.61 0.00 0.00 39.78 39.70 3knh n ASN 13 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3knh s LEU 14 N 0.00 2.18 -0.04 3.41 1.43 -1.26 -5.12 118.68 119.28 3knh s LEU 14 Ca 0.00 -0.43 -0.22 0.00 -1.03 0.00 0.00 54.13 52.45 3knh s LEU 14 Cb 0.00 -0.36 -0.04 0.00 0.03 0.00 0.00 46.19 45.82 3knh s LEU 14 CO 0.00 -0.06 0.63 1.51 0.23 0.00 0.00 176.35 178.66 3knh s ASP 15 N -1.16 6.95 0.02 2.29 3.84 -1.26 -4.86 116.67 122.50 3knh s ASP 15 Ca -0.03 1.14 0.01 0.00 -0.00 0.00 0.00 52.55 53.67 3knh s ASP 15 Cb -0.08 -2.38 0.06 0.00 -1.38 0.00 0.00 42.92 39.14 3knh s ASP 15 CO 0.01 -0.01 0.09 0.00 -0.00 0.00 0.00 175.17 175.26 3knh n GLN 16 N 3.32 -0.00 0.00 2.11 0.00 -1.26 -0.92 117.38 120.63 3knh n GLN 16 Ca -0.04 0.08 0.00 0.00 0.00 0.00 0.00 57.00 57.04 3knh n GLN 16 Cb 0.51 -0.14 0.00 0.00 0.00 0.00 0.00 30.24 30.61 3knh n GLN 16 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 3knh n SER 17 N -3.45 0.00 -0.04 2.61 7.64 -1.26 -0.10 113.62 119.02 3knh n SER 17 Ca 0.02 0.78 0.19 0.00 1.01 0.00 0.00 58.87 60.87 3knh n SER 17 Cb 0.06 -0.28 0.65 0.00 -1.01 0.00 0.00 64.21 63.62 3knh n SER 17 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 3knh h GLN 18 N 0.00 0.10 0.00 1.43 4.20 -1.42 0.57 115.11 119.99 3knh h GLN 18 Ca 0.00 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.70 3knh h GLN 18 Cb 0.00 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.76 3knh h GLN 18 CO 0.00 0.06 0.00 1.25 -0.67 0.00 0.00 178.83 179.47 3knh h LEU 19 N 0.10 0.00 0.00 1.46 6.46 -0.80 0.33 115.31 122.85 3knh h LEU 19 Ca 0.28 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.04 3knh h LEU 19 Cb 0.98 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.91 3knh h LEU 19 CO -0.03 0.00 -1.15 0.00 -0.62 0.00 0.00 178.44 176.64 3knh n ALA 20 N -1.99 3.05 0.10 1.25 0.00 0.13 -3.49 120.51 119.55 3knh n ALA 20 Ca 0.00 -0.34 -0.05 0.00 0.00 0.00 0.00 53.44 53.05 3knh n ALA 20 Cb 0.24 -0.47 0.06 0.00 0.00 0.00 0.00 19.45 19.29 3knh n ALA 20 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3knh h LEU 21 N 0.00 0.13 0.02 0.00 -0.00 0.15 -1.86 115.31 113.75 3knh h LEU 21 Ca 0.00 -0.09 -0.00 0.00 -0.00 0.00 0.00 57.88 57.78 3knh h LEU 21 Cb 0.47 -0.04 0.00 0.00 -0.00 0.00 0.00 40.66 41.09 3knh h LEU 21 CO 0.00 0.84 -0.01 -0.33 -0.00 0.00 0.00 178.44 178.94 3knh h GLU 22 N 0.06 -0.02 -1.00 1.13 4.39 -0.59 -3.07 114.58 115.49 3knh h GLU 22 Ca -0.02 0.00 0.17 0.00 0.34 0.00 0.00 59.36 59.86 3knh h GLU 22 Cb 1.34 0.00 -0.17 0.00 -0.10 0.00 0.00 28.75 29.82 3knh h GLU 22 CO 0.11 0.72 -0.33 0.87 -1.16 0.00 0.00 179.01 179.22 3knh h LYS 23 N -0.95 -0.00 0.23 2.33 1.57 -1.58 0.27 116.57 118.43 3knh h LYS 23 Ca -0.00 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 3knh h LYS 23 Cb 0.75 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.03 3knh h LYS 23 CO 0.00 -0.00 -0.32 1.05 -0.57 0.00 0.00 179.45 179.61 3knh h GLU 24 N -0.00 -0.59 -0.98 3.15 4.11 -1.42 -2.32 114.58 116.53 3knh h GLU 24 Ca 0.40 0.04 0.19 0.00 0.07 0.00 0.00 59.36 60.07 3knh h GLU 24 Cb 0.65 0.13 -0.18 0.00 0.50 0.00 0.00 28.75 29.86 3knh h GLU 24 CO -1.01 -0.39 -0.27 0.82 0.07 0.00 0.00 179.01 178.24 3knh h ILE 25 N -0.61 0.01 0.00 -1.06 1.08 -0.40 0.32 117.51 116.86 3knh h ILE 25 Ca 0.00 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.49 3knh h ILE 25 Cb 0.59 0.01 -0.04 0.00 -3.07 0.00 0.00 36.82 34.31 3knh h ILE 25 CO -0.12 0.00 -0.39 0.40 -0.69 0.00 0.00 178.15 177.35 3knh h ILE 26 N -0.00 0.00 -0.94 -0.67 1.08 -0.79 -2.80 117.51 113.39 3knh h ILE 26 Ca 0.45 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 65.01 3knh h ILE 26 Cb 0.70 0.00 -0.12 0.00 -3.07 0.00 0.00 36.82 34.33 3knh h ILE 26 CO -1.01 0.00 -0.54 0.00 -0.69 0.00 0.00 178.15 175.91 3knh n GLN 27 N -4.65 -0.40 -0.29 2.37 1.13 0.11 0.17 117.38 115.83 3knh n GLN 27 Ca -0.05 1.42 0.08 0.00 -1.94 0.00 0.00 57.00 56.51 3knh n GLN 27 Cb 0.29 -2.09 0.21 0.00 0.11 0.00 0.00 30.24 28.76 3knh n GLN 27 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3knh h ARG 28 N 0.00 0.10 -0.39 -1.09 3.08 -1.14 0.70 114.38 115.63 3knh h ARG 28 Ca 0.17 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.19 3knh h ARG 28 Cb 0.40 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 3knh h ARG 28 CO -0.89 0.06 0.17 0.00 -1.07 0.00 0.00 179.97 178.25 3knh h ALA 29 N 1.79 0.50 0.00 0.04 0.00 -0.03 -0.75 119.26 120.81 3knh h ALA 29 Ca 0.48 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.23 3knh h ALA 29 Cb 0.89 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3knh h ALA 29 CO -0.73 0.09 -0.18 -0.07 0.00 0.00 0.00 179.25 178.36 3knh h LEU 30 N 0.49 0.00 -0.47 0.00 3.38 0.19 -0.33 115.31 118.56 3knh h LEU 30 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3knh h LEU 30 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3knh h LEU 30 CO -0.01 0.18 -0.49 1.21 0.09 0.00 0.00 178.44 179.42 3knh n GLU 31 N -3.95 0.66 -0.11 1.13 2.13 -0.10 0.16 120.64 120.56 3knh n GLU 31 Ca -0.02 -0.47 -0.15 0.00 0.66 0.00 0.00 57.16 57.17 3knh n GLU 31 Cb 0.27 -1.49 -0.11 0.00 0.27 0.00 0.00 31.44 30.37 3knh n GLU 31 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3knh n ASN 32 N -0.76 1.94 -0.86 4.31 5.03 -0.32 -4.03 115.26 120.57 3knh n ASN 32 Ca 0.09 -0.11 0.04 0.00 0.87 0.00 0.00 54.58 55.47 3knh n ASN 32 Cb 0.38 -0.20 0.17 0.00 -1.02 0.00 0.00 39.78 39.10 3knh n ASN 32 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 3knh n TYR 33 N -3.13 0.68 -3.25 3.10 4.02 -0.18 -4.95 117.16 113.46 3knh n TYR 33 Ca -0.40 -0.27 -0.19 0.00 -0.01 0.00 0.00 57.90 57.02 3knh n TYR 33 Cb 0.97 -0.14 0.02 0.00 -0.02 0.00 0.00 39.34 40.17 3knh n TYR 33 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3knh n GLY 34 N 0.68 -0.83 2.95 2.72 0.00 -1.21 -4.67 105.19 104.83 3knh n GLY 34 Ca 0.12 1.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.84 3knh n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3knh s ALA 35 N -2.37 1.83 -0.19 4.61 0.00 0.41 -4.11 121.76 121.93 3knh s ALA 35 Ca 0.21 -1.11 -0.29 0.00 0.00 0.00 0.00 51.96 50.77 3knh s ALA 35 Cb -0.04 -1.25 -0.01 0.00 0.00 0.00 0.00 23.12 21.82 3knh s ALA 35 CO 0.82 -0.86 1.23 0.50 0.00 0.00 0.00 175.76 177.46 3knh s ARG 36 N 1.47 4.20 0.16 0.00 3.52 0.35 -4.59 118.95 124.08 3knh s ARG 36 Ca -0.01 1.57 -0.30 0.00 -0.13 0.00 0.00 55.73 56.86 3knh s ARG 36 Cb -0.16 -3.76 -0.07 0.00 -1.56 0.00 0.00 34.95 29.39 3knh s ARG 36 CO -0.08 -0.74 1.10 0.08 -0.81 0.00 0.00 175.30 174.85 3knh s VAL 37 N 3.55 3.93 -0.11 7.11 1.01 -1.26 -1.48 120.40 133.14 3knh s VAL 37 Ca 0.53 1.64 0.18 0.00 0.00 0.00 0.00 61.98 64.33 3knh s VAL 37 Cb -0.20 -4.05 0.42 0.00 0.00 0.00 0.00 36.38 32.55 3knh s VAL 37 CO 0.14 0.27 1.20 -0.62 0.00 0.00 0.00 175.10 176.09 3knh n GLU 38 N 2.50 0.85 0.00 2.72 1.02 0.20 -4.96 120.64 122.96 3knh n GLU 38 Ca 0.03 -2.69 0.00 0.00 -0.02 0.00 0.00 57.16 54.48 3knh n GLU 38 Cb 0.46 -0.87 0.00 0.00 -0.02 0.00 0.00 31.44 31.02 3knh n GLU 38 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 3knh n LYS 39 N -0.37 -1.09 -3.54 3.49 4.81 -1.22 -4.84 118.16 115.40 3knh n LYS 39 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.57 3knh n LYS 39 Cb 0.90 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.90 3knh n LYS 39 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3knh s VAL 40 N -2.00 -0.16 -0.08 3.15 0.11 -1.26 -3.96 120.40 116.21 3knh s VAL 40 Ca 0.00 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.07 3knh s VAL 40 Cb 0.00 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.86 3knh s VAL 40 CO 0.00 0.00 -0.13 -1.61 -3.33 0.00 0.00 175.10 170.03 3knh s GLU 41 N 1.69 1.83 -0.52 1.54 2.02 -0.99 -5.04 118.70 119.22 3knh s GLU 41 Ca -0.06 -0.44 0.07 0.00 0.02 0.00 0.00 54.97 54.55 3knh s GLU 41 Cb -0.04 -1.53 0.28 0.00 0.10 0.00 0.00 34.13 32.94 3knh s GLU 41 CO -0.15 0.00 0.72 -1.91 0.02 0.00 0.00 175.26 173.95 3knh n GLU 42 N 3.93 1.97 0.24 1.61 2.13 -1.26 -2.24 120.64 127.01 3knh n GLU 42 Ca -0.21 -4.14 0.10 0.00 0.66 0.00 0.00 57.16 53.56 3knh n GLU 42 Cb 0.52 -1.89 0.68 0.00 0.27 0.00 0.00 31.44 31.01 3knh n GLU 42 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 3knh h LEU 43 N 3.74 0.00 0.00 4.31 4.07 -1.79 -3.47 115.31 122.17 3knh h LEU 43 Ca 0.14 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.10 3knh h LEU 43 Cb 0.73 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.47 3knh h LEU 43 CO 0.69 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 178.66 3knh n GLY 44 N -1.53 2.21 3.71 0.83 0.00 -0.82 -4.85 105.19 104.74 3knh n GLY 44 Ca -0.02 -0.38 -0.43 0.00 0.00 0.00 0.00 46.02 45.20 3knh n GLY 44 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3knh n LEU 45 N 0.00 3.80 -3.84 0.99 7.94 -1.25 0.15 117.00 124.78 3knh n LEU 45 Ca 0.00 1.10 -0.09 0.00 -1.11 0.00 0.00 56.01 55.90 3knh n LEU 45 Cb 0.00 -1.53 -0.07 0.00 0.53 0.00 0.00 43.42 42.35 3knh n LEU 45 CO 0.00 0.00 -0.08 -0.13 -1.11 0.00 0.00 177.39 176.07 3knh s ARG 46 N 0.54 0.83 -0.16 1.96 0.52 0.90 -4.89 118.95 118.65 3knh s ARG 46 Ca 0.72 -0.88 -0.16 0.00 -0.52 0.00 0.00 55.73 54.90 3knh s ARG 46 Cb -0.56 0.34 -0.04 0.00 0.52 0.00 0.00 34.95 35.21 3knh s ARG 46 CO 0.39 -0.26 0.38 1.03 0.02 0.00 0.00 175.30 176.86 3knh s ARG 47 N -3.60 4.26 0.28 3.54 0.52 -1.26 -1.34 118.95 121.36 3knh s ARG 47 Ca 0.03 0.23 -0.01 0.00 -0.52 0.00 0.00 55.73 55.46 3knh s ARG 47 Cb 0.04 -3.46 -0.04 0.00 0.52 0.00 0.00 34.95 32.01 3knh s ARG 47 CO -0.10 0.14 0.49 -0.51 0.02 0.00 0.00 175.30 175.35 3knh s LEU 48 N 0.73 4.11 0.21 2.53 1.43 0.24 -4.98 118.68 122.94 3knh s LEU 48 Ca 0.20 0.46 0.06 0.00 -1.03 0.00 0.00 54.13 53.82 3knh s LEU 48 Cb -0.14 -3.28 0.12 0.00 0.03 0.00 0.00 46.19 42.92 3knh s LEU 48 CO 0.07 -0.18 1.47 0.00 0.23 0.00 0.00 176.35 177.93 3knh h ALA 49 N 1.34 0.70 -2.67 4.21 0.00 -1.98 -3.46 119.26 117.40 3knh h ALA 49 Ca -0.49 -0.67 -0.24 0.00 0.00 0.00 0.00 54.91 53.51 3knh h ALA 49 Cb 1.21 -0.10 -0.18 0.00 0.00 0.00 0.00 17.79 18.72 3knh h ALA 49 CO 0.64 0.90 -0.71 1.52 0.00 0.00 0.00 179.25 181.60 3knh s TYR 50 N -3.34 0.74 -0.16 0.00 1.13 -1.26 -5.14 117.35 109.32 3knh s TYR 50 Ca -0.02 -0.73 -0.29 0.00 -1.41 0.00 0.00 57.07 54.62 3knh s TYR 50 Cb 0.11 -0.44 -0.01 0.00 -1.10 0.00 0.00 41.96 40.52 3knh s TYR 50 CO 0.80 -0.14 1.12 -1.25 -2.51 0.00 0.00 175.55 173.57 3knh s PRO 51 N -2.76 4.30 -0.16 -3.49 0.04 -1.26 -4.84 135.00 126.83 3knh s PRO 51 Ca 0.01 1.50 -0.07 0.00 0.04 0.00 0.00 61.00 62.48 3knh s PRO 51 Cb -0.02 -3.65 -0.04 0.00 0.04 0.00 0.00 34.50 30.84 3knh s PRO 51 CO -0.03 -0.57 0.08 0.42 0.04 0.00 0.00 177.00 176.94 3knh s ILE 52 N 2.92 4.94 -1.21 0.56 1.01 0.39 -4.48 121.20 125.33 3knh s ILE 52 Ca 0.50 0.01 -0.06 0.00 0.00 0.00 0.00 60.65 61.10 3knh s ILE 52 Cb -0.19 -3.20 -0.02 0.00 0.01 0.00 0.00 42.46 39.06 3knh s ILE 52 CO 0.13 0.50 0.79 0.00 0.00 0.00 0.00 174.94 176.36 3knh n ALA 53 N 3.10 -2.24 -2.48 9.38 0.00 -1.26 -1.48 120.51 125.54 3knh n ALA 53 Ca -0.17 -0.11 -0.02 0.00 0.00 0.00 0.00 53.44 53.14 3knh n ALA 53 Cb 0.53 -3.29 -0.00 0.00 0.00 0.00 0.00 19.45 16.69 3knh n ALA 53 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3knh n LYS 54 N -4.02 -2.89 -3.95 0.00 4.76 -1.26 -4.88 118.16 105.93 3knh n LYS 54 Ca -0.20 0.07 -0.14 0.00 -2.87 0.00 0.00 58.31 55.17 3knh n LYS 54 Cb 0.65 -4.58 -0.15 0.00 -1.84 0.00 0.00 35.03 29.11 3knh n LYS 54 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3knh s ASP 55 N -1.99 0.23 0.29 4.39 -1.08 -0.55 -5.07 116.67 112.89 3knh s ASP 55 Ca 0.00 -0.03 0.25 0.00 -0.52 0.00 0.00 52.55 52.26 3knh s ASP 55 Cb 0.00 -0.06 0.66 0.00 -1.46 0.00 0.00 42.92 42.06 3knh s ASP 55 CO 0.00 -0.01 1.72 1.55 0.52 0.00 0.00 175.17 178.95 3knh h PRO 56 N 6.40 0.00 0.00 4.34 0.13 -1.88 0.11 132.00 141.10 3knh h PRO 56 Ca -0.30 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.49 3knh h PRO 56 Cb 1.18 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 3knh h PRO 56 CO 0.50 0.00 -0.17 1.04 -0.23 0.00 0.00 178.00 179.14 3knh n GLN 57 N -2.55 1.02 -3.64 0.86 6.02 -1.26 -0.59 117.38 117.23 3knh n GLN 57 Ca 0.05 -2.02 -0.04 0.00 -0.01 0.00 0.00 57.00 54.97 3knh n GLN 57 Cb 0.46 0.23 -0.07 0.00 1.02 0.00 0.00 30.24 31.88 3knh n GLN 57 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 3knh s GLY 58 N -3.09 0.02 -0.52 1.08 0.00 -0.45 -4.79 107.32 99.57 3knh s GLY 58 Ca 0.18 3.07 -0.22 0.00 0.00 0.00 0.00 44.72 47.75 3knh s GLY 58 CO 0.11 2.31 0.77 -0.47 0.00 0.00 0.00 173.10 175.82 3knh s TYR 59 N 0.86 2.94 0.44 1.90 5.04 -1.17 -0.07 117.35 127.29 3knh s TYR 59 Ca -0.04 -0.25 -0.00 0.00 -2.44 0.00 0.00 57.07 54.34 3knh s TYR 59 Cb -0.04 -3.76 -0.01 0.00 0.35 0.00 0.00 41.96 38.50 3knh s TYR 59 CO -0.12 -1.16 0.67 -0.06 -1.34 0.00 0.00 175.55 173.54 3knh s PHE 60 N 3.23 3.28 0.00 4.97 0.40 0.39 -1.13 117.98 129.13 3knh s PHE 60 Ca 0.23 0.30 0.00 0.00 -0.60 0.00 0.00 56.93 56.85 3knh s PHE 60 Cb -0.16 -2.27 0.00 0.00 0.51 0.00 0.00 43.02 41.11 3knh s PHE 60 CO 0.16 -0.30 0.00 1.28 0.70 0.00 0.00 175.22 177.06 3knh n LEU 61 N -2.06 0.00 0.00 -0.37 4.32 -0.87 -1.94 117.00 116.07 3knh n LEU 61 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 3knh n LEU 61 Cb 0.57 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.37 3knh n LEU 61 CO 0.48 0.00 0.00 1.87 -1.22 0.00 0.00 177.39 178.52 3knh n TRP 62 N 0.00 0.00 -3.45 -1.77 -0.00 -0.95 -4.35 117.44 106.92 3knh n TRP 62 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.50 57.39 3knh n TRP 62 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 31.31 31.21 3knh n TRP 62 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 177.69 178.40 3knh s TYR 63 N 0.00 -0.69 -0.49 5.87 2.02 -1.15 -2.35 117.35 120.56 3knh s TYR 63 Ca 0.00 0.86 -0.23 0.00 -0.37 0.00 0.00 57.07 57.33 3knh s TYR 63 Cb 0.00 -0.00 0.04 0.00 -0.40 0.00 0.00 41.96 41.59 3knh s TYR 63 CO 0.00 -0.63 0.80 -1.14 -1.57 0.00 0.00 175.55 173.02 3knh s GLN 64 N 2.51 3.33 0.00 -0.62 0.74 -1.25 -0.93 119.66 123.43 3knh s GLN 64 Ca 0.08 -0.29 0.00 0.00 0.05 0.00 0.00 55.36 55.21 3knh s GLN 64 Cb -0.15 -4.00 0.00 0.00 1.10 0.00 0.00 33.01 29.96 3knh s GLN 64 CO -0.14 -1.25 0.00 1.33 -0.55 0.00 0.00 175.29 174.68 3knh n VAL 65 N 6.07 0.00 -3.72 1.34 0.24 0.19 0.59 118.33 123.04 3knh n VAL 65 Ca 0.01 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.19 3knh n VAL 65 Cb 0.47 -0.01 -0.12 0.00 -1.47 0.00 0.00 33.84 32.72 3knh n VAL 65 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 3knh s GLU 66 N -1.82 0.33 0.21 7.34 2.12 -0.55 -1.49 118.70 124.85 3knh s GLU 66 Ca 0.00 0.61 -0.23 0.00 0.36 0.00 0.00 54.97 55.71 3knh s GLU 66 Cb 0.00 0.00 0.05 0.00 0.26 0.00 0.00 34.13 34.44 3knh s GLU 66 CO 0.00 -0.13 0.86 0.00 -0.54 0.00 0.00 175.26 175.45 3knh s MET 67 N 1.02 1.48 0.46 4.30 0.23 -0.99 -0.49 119.30 125.31 3knh s MET 67 Ca -0.07 -0.83 -0.23 0.00 -1.03 0.00 0.00 55.69 53.54 3knh s MET 67 Cb -0.07 0.50 -0.10 0.00 -1.53 0.00 0.00 34.83 33.63 3knh s MET 67 CO -0.08 -0.68 0.95 -0.35 -2.03 0.00 0.00 175.02 172.83 3knh n PRO 68 N -0.48 1.18 0.09 3.16 -0.04 -1.26 -2.33 135.00 135.33 3knh n PRO 68 Ca -0.05 0.43 -0.05 0.00 -0.04 0.00 0.00 63.50 63.79 3knh n PRO 68 Cb 0.60 -2.02 0.12 0.00 -0.04 0.00 0.00 33.50 32.16 3knh n PRO 68 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 3knh h GLU 69 N 1.24 0.20 0.00 0.54 9.09 -1.94 -3.23 114.58 120.48 3knh h GLU 69 Ca -0.45 -0.14 -0.03 0.00 0.05 0.00 0.00 59.36 58.79 3knh h GLU 69 Cb 1.35 0.02 -0.00 0.00 -1.65 0.00 0.00 28.75 28.47 3knh h GLU 69 CO 0.55 0.76 -0.13 0.38 0.05 0.00 0.00 179.01 180.62 3knh h ASP 70 N 0.14 0.00 -0.53 3.06 2.03 -2.02 -3.24 116.42 115.87 3knh h ASP 70 Ca -0.01 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.29 3knh h ASP 70 Cb 1.14 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.64 3knh h ASP 70 CO 0.09 0.13 0.00 0.54 -1.03 0.00 0.00 179.24 178.97 3knh n ARG 71 N -3.25 3.62 0.06 4.15 1.74 -1.22 -4.51 116.66 117.25 3knh n ARG 71 Ca 0.01 -2.81 -0.12 0.00 -0.77 0.00 0.00 57.85 54.16 3knh n ARG 71 Cb 0.40 -1.85 -0.08 0.00 -1.02 0.00 0.00 32.46 29.90 3knh n ARG 71 CO 0.00 0.00 0.00 -0.24 -1.52 0.00 0.00 177.63 175.87 3knh h VAL 72 N 3.39 0.98 0.01 1.55 3.04 -1.67 -3.09 116.25 120.45 3knh h VAL 72 Ca 0.00 -1.03 0.00 0.00 -1.01 0.00 0.00 66.70 64.66 3knh h VAL 72 Cb 1.42 1.57 -0.01 0.00 -2.01 0.00 0.00 31.29 32.26 3knh h VAL 72 CO 0.23 0.22 -0.06 0.78 -1.01 0.00 0.00 177.57 177.73 3knh h ASN 73 N -0.74 -0.19 -0.88 3.17 2.35 -1.83 -2.58 115.58 114.88 3knh h ASN 73 Ca -0.02 0.02 0.24 0.00 -0.55 0.00 0.00 56.30 55.99 3knh h ASN 73 Cb 0.52 0.07 -0.14 0.00 0.05 0.00 0.00 38.32 38.82 3knh h ASN 73 CO 0.03 -0.07 0.22 0.44 -1.65 0.00 0.00 177.43 176.40 3knh h ASP 74 N -0.09 -0.04 0.45 5.81 3.32 -1.84 -2.66 116.42 121.37 3knh h ASP 74 Ca -0.00 0.20 -0.02 0.00 0.02 0.00 0.00 57.03 57.23 3knh h ASP 74 Cb 0.09 0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.92 3knh h ASP 74 CO -0.04 -0.17 -0.27 0.25 -1.72 0.00 0.00 179.24 177.29 3knh h LEU 75 N 0.19 -0.67 -0.80 1.55 6.46 -1.42 -1.67 115.31 118.94 3knh h LEU 75 Ca 0.55 0.04 0.19 0.00 -0.12 0.00 0.00 57.88 58.54 3knh h LEU 75 Cb 1.12 0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 41.21 3knh h LEU 75 CO -0.67 -0.42 1.10 0.00 -0.62 0.00 0.00 178.44 177.83 3knh h ALA 76 N -1.53 2.60 -3.00 1.25 0.00 -1.12 0.30 119.26 117.76 3knh h ALA 76 Ca -0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3knh h ALA 76 Cb 0.54 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3knh h ALA 76 CO 0.07 -1.44 0.00 -2.13 0.00 0.00 0.00 179.25 175.75 3knh n ARG 77 N -3.03 0.00 -0.04 0.00 0.63 -0.67 -3.40 116.66 110.14 3knh n ARG 77 Ca 0.15 0.00 0.04 0.00 -0.92 0.00 0.00 57.85 57.11 3knh n ARG 77 Cb 1.30 -0.50 0.07 0.00 0.45 0.00 0.00 32.46 33.78 3knh n ARG 77 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 3knh n GLU 78 N -0.35 -0.01 0.05 -0.14 4.07 0.82 0.18 120.64 125.26 3knh n GLU 78 Ca 0.00 0.19 -0.09 0.00 -0.06 0.00 0.00 57.16 57.20 3knh n GLU 78 Cb 0.00 -0.33 -0.05 0.00 -0.06 0.00 0.00 31.44 31.00 3knh n GLU 78 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 3knh h LEU 79 N 0.00 -0.85 -0.40 4.31 3.38 -0.96 -2.41 115.31 118.37 3knh h LEU 79 Ca 0.10 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3knh h LEU 79 Cb 0.26 0.32 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3knh h LEU 79 CO -0.11 -0.29 0.00 -2.11 0.09 0.00 0.00 178.44 176.02 3knh n ARG 80 N -4.05 0.73 -0.08 1.13 1.85 0.47 -3.26 116.66 113.45 3knh n ARG 80 Ca -0.04 0.00 0.01 0.00 -1.00 0.00 0.00 57.85 56.81 3knh n ARG 80 Cb 0.22 -1.14 0.04 0.00 -1.05 0.00 0.00 32.46 30.52 3knh n ARG 80 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 3knh n ILE 81 N -0.25 0.23 -4.69 8.89 5.41 -0.91 -4.63 119.36 123.42 3knh n ILE 81 Ca 0.00 -0.13 -0.33 0.00 1.00 0.00 0.00 62.75 63.29 3knh n ILE 81 Cb 0.07 -0.32 -0.13 0.00 -0.71 0.00 0.00 39.64 38.55 3knh n ILE 81 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 3knh s ARG 82 N -1.40 3.17 0.02 0.38 1.81 -1.20 -5.05 118.95 116.68 3knh s ARG 82 Ca 0.05 -0.63 -0.15 0.00 -1.72 0.00 0.00 55.73 53.29 3knh s ARG 82 Cb 0.04 -2.64 -0.08 0.00 -0.45 0.00 0.00 34.95 31.82 3knh s ARG 82 CO 0.02 0.38 1.06 -0.44 -0.68 0.00 0.00 175.30 175.64 3knh h ASP 83 N 6.18 -0.46 0.00 0.23 5.19 -1.93 -3.09 116.42 122.55 3knh h ASP 83 Ca -0.35 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.08 3knh h ASP 83 Cb 1.19 0.12 0.00 0.00 0.18 0.00 0.00 39.33 40.82 3knh h ASP 83 CO 0.56 -0.29 0.76 0.78 -3.12 0.00 0.00 179.24 177.92 3knh h ASN 84 N -0.62 0.00 -1.69 6.45 4.21 -1.96 -3.32 115.58 118.64 3knh h ASN 84 Ca -0.06 0.00 -0.61 0.00 1.21 0.00 0.00 56.30 56.84 3knh h ASN 84 Cb 0.42 0.00 -0.12 0.00 -1.12 0.00 0.00 38.32 37.50 3knh h ASN 84 CO 0.09 0.00 1.22 -0.69 -1.29 0.00 0.00 177.43 176.76 3knh s VAL 85 N -3.98 4.11 0.17 2.81 1.01 -1.17 -0.20 120.40 123.15 3knh s VAL 85 Ca -0.01 -0.76 0.24 0.00 0.00 0.00 0.00 61.98 61.45 3knh s VAL 85 Cb 0.03 -4.95 0.24 0.00 0.00 0.00 0.00 36.38 31.70 3knh s VAL 85 CO 0.09 -1.79 1.86 0.03 0.00 0.00 0.00 175.10 175.29 3knh h ARG 86 N 9.59 0.00 -2.94 2.72 3.08 0.21 -3.47 114.38 123.57 3knh h ARG 86 Ca 0.09 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.09 3knh h ARG 86 Cb 1.02 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 30.93 3knh h ARG 86 CO 1.32 0.21 0.06 1.03 -1.07 0.00 0.00 179.97 181.52 3knh s ARG 87 N -3.72 1.10 0.02 0.04 1.81 0.07 -4.89 118.95 113.39 3knh s ARG 87 Ca 0.00 -0.38 -0.28 0.00 -1.72 0.00 0.00 55.73 53.35 3knh s ARG 87 Cb 0.11 0.50 0.07 0.00 -0.45 0.00 0.00 34.95 35.18 3knh s ARG 87 CO 0.63 -0.43 0.66 0.08 -0.68 0.00 0.00 175.30 175.57 3knh s VAL 88 N -3.03 0.00 -0.30 3.52 1.01 -1.23 -0.02 120.40 120.35 3knh s VAL 88 Ca -0.02 0.00 -0.06 0.00 0.00 0.00 0.00 61.98 61.90 3knh s VAL 88 Cb -0.00 -1.00 0.19 0.00 0.00 0.00 0.00 36.38 35.57 3knh s VAL 88 CO -0.06 0.00 0.90 -0.32 0.00 0.00 0.00 175.10 175.62 3knh s MET 89 N -2.16 0.28 0.45 2.72 0.00 0.11 -4.93 119.30 115.77 3knh s MET 89 Ca -0.06 0.31 -0.20 0.00 0.00 0.00 0.00 55.69 55.73 3knh s MET 89 Cb -0.00 0.15 -0.10 0.00 0.00 0.00 0.00 34.83 34.87 3knh s MET 89 CO 0.01 -0.49 0.98 0.08 0.00 0.00 0.00 175.02 175.60 3knh s VAL 90 N 2.92 4.22 -0.06 10.11 1.01 -1.26 -1.55 120.40 135.79 3knh s VAL 90 Ca 0.19 1.36 -0.05 0.00 0.00 0.00 0.00 61.98 63.48 3knh s VAL 90 Cb -0.06 -3.56 0.02 0.00 0.00 0.00 0.00 36.38 32.78 3knh s VAL 90 CO -0.22 -0.32 0.16 -0.69 0.00 0.00 0.00 175.10 174.02 3knh s VAL 91 N -2.15 -0.00 -1.30 2.92 1.01 -0.48 -4.95 120.40 115.44 3knh s VAL 91 Ca 0.63 0.02 -0.18 0.00 0.00 0.00 0.00 61.98 62.45 3knh s VAL 91 Cb -0.11 -0.23 0.06 0.00 0.00 0.00 0.00 36.38 36.10 3knh s VAL 91 CO 0.16 0.01 1.76 1.17 0.00 0.00 0.00 175.10 178.20 3knh n LYS 92 N 3.11 3.12 0.00 2.72 4.81 -1.26 -0.72 118.16 129.94 3knh n LYS 92 Ca -0.14 -3.23 0.00 0.00 -0.87 0.00 0.00 58.31 54.07 3knh n LYS 92 Cb 0.58 -3.51 0.00 0.00 0.02 0.00 0.00 35.03 32.13 3knh n LYS 92 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 3knh n SER 93 N 8.63 0.00 -4.17 3.14 7.64 -0.81 -4.93 113.62 123.12 3knh n SER 93 Ca 0.49 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 60.04 3knh n SER 93 Cb 0.46 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.50 3knh n SER 93 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 3knh s GLN 94 N 0.00 3.05 -0.16 1.43 -0.21 -1.26 -4.89 119.66 117.62 3knh s GLN 94 Ca 0.00 -0.83 -0.35 0.00 0.02 0.00 0.00 55.36 54.20 3knh s GLN 94 Cb 0.00 -2.52 -0.12 0.00 1.00 0.00 0.00 33.01 31.37 3knh s GLN 94 CO 0.00 -0.08 1.89 0.39 -2.12 0.00 0.00 175.29 175.37 3knh n GLU 95 N 4.27 1.87 -1.30 2.91 1.02 -1.26 -4.80 120.64 123.35 3knh n GLU 95 Ca -0.20 0.67 -0.49 0.00 -0.02 0.00 0.00 57.16 57.12 3knh n GLU 95 Cb 0.51 -2.53 -0.06 0.00 -0.02 0.00 0.00 31.44 29.34 3knh n GLU 95 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 3knh n PRO 96 N 6.59 0.00 -3.80 3.49 -0.02 -1.26 -5.00 135.00 134.99 3knh n PRO 96 Ca 0.25 0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 61.36 3knh n PRO 96 Cb 0.26 -1.18 -0.13 0.00 -0.02 0.00 0.00 33.50 32.43 3knh n PRO 96 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3knh s PHE 97 N -0.29 3.19 0.33 6.00 5.36 -1.26 -5.10 117.98 126.21 3knh s PHE 97 Ca 0.73 -1.33 0.02 0.00 -0.96 0.00 0.00 56.93 55.38 3knh s PHE 97 Cb -1.02 -2.22 -0.03 0.00 -0.34 0.00 0.00 43.02 39.41 3knh s PHE 97 CO 0.50 -0.68 0.52 -0.51 -1.46 0.00 0.00 175.22 173.59 3knh s LEU 98 N 1.41 4.04 0.48 6.12 1.02 -1.26 -5.12 118.68 125.37 3knh s LEU 98 Ca -0.00 0.35 0.02 0.00 0.02 0.00 0.00 54.13 54.52 3knh s LEU 98 Cb -0.18 -3.20 -0.01 0.00 0.02 0.00 0.00 46.19 42.81 3knh s LEU 98 CO 0.01 -0.29 0.06 0.00 0.02 0.00 0.00 176.35 176.16 3knh s ALA 99 N -2.27 3.66 -1.30 4.21 0.00 -1.26 -4.79 121.76 120.01 3knh s ALA 99 Ca 0.40 -0.64 -0.01 0.00 0.00 0.00 0.00 51.96 51.70 3knh s ALA 99 Cb -0.09 0.35 0.01 0.00 0.00 0.00 0.00 23.12 23.38 3knh s ALA 99 CO 0.35 -0.16 0.80 0.09 0.00 0.00 0.00 175.76 176.84 3knh n ASN 100 N -1.34 -1.76 0.00 0.00 5.03 -1.26 -5.35 115.26 110.58 3knh n ASN 100 Ca -0.14 -0.77 0.00 0.00 0.87 0.00 0.00 54.58 54.54 3knh n ASN 100 Cb 0.66 -4.30 0.00 0.00 -1.02 0.00 0.00 39.78 35.12 3knh n ASN 100 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43