#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k3s n GLN 2 N 0.00 3.14 -3.78 1.61 6.02 -1.26 -5.13 117.38 117.98 3k3s n GLN 2 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.89 3k3s n GLN 2 Cb 0.00 -0.73 -0.05 0.00 1.02 0.00 0.00 30.24 30.49 3k3s n GLN 2 CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 177.06 177.57 3k3s s TYR 3 N -1.40 -0.00 -0.05 1.08 1.13 -1.26 -0.96 117.35 115.89 3k3s s TYR 3 Ca 0.00 -0.35 0.03 0.00 -1.41 0.00 0.00 57.07 55.34 3k3s s TYR 3 Cb 0.00 0.28 0.01 0.00 -1.10 0.00 0.00 41.96 41.14 3k3s s TYR 3 CO 0.00 -0.86 -0.14 -1.50 -2.51 0.00 0.00 175.55 170.55 3k3s s ILE 4 N -3.89 1.21 -0.41 -3.49 2.07 0.10 -4.84 121.20 111.95 3k3s s ILE 4 Ca 0.11 -0.55 -0.14 0.00 -1.41 0.00 0.00 60.65 58.65 3k3s s ILE 4 Cb 0.00 -1.08 0.03 0.00 0.13 0.00 0.00 42.46 41.54 3k3s s ILE 4 CO -0.03 0.36 0.29 -0.75 -1.91 0.00 0.00 174.94 172.91 3k3s s LYS 5 N 0.41 2.94 0.13 3.50 2.20 -1.26 -0.77 119.74 126.89 3k3s s LYS 5 Ca -0.10 -1.06 -0.10 0.00 -0.36 0.00 0.00 55.97 54.35 3k3s s LYS 5 Cb -0.14 -3.95 -0.07 0.00 -1.51 0.00 0.00 37.83 32.16 3k3s s LYS 5 CO 0.03 -0.77 1.38 0.82 -0.36 0.00 0.00 175.35 176.45 3k3s h ILE 6 N 5.69 1.29 -3.85 5.43 2.04 -1.97 -3.45 117.51 122.69 3k3s h ILE 6 Ca -0.27 -1.87 -0.19 0.00 1.00 0.00 0.00 64.86 63.53 3k3s h ILE 6 Cb 1.12 1.83 -0.24 0.00 -0.74 0.00 0.00 36.82 38.78 3k3s h ILE 6 CO 0.73 0.60 -0.70 -2.28 0.00 0.00 0.00 178.15 176.50 3k3s s HIS 7 N -3.92 0.13 0.42 1.37 5.04 -1.26 -4.92 115.29 112.15 3k3s s HIS 7 Ca -0.10 -0.27 0.19 0.00 -1.54 0.00 0.00 55.06 53.34 3k3s s HIS 7 Cb 0.10 -0.10 1.11 0.00 0.04 0.00 0.00 32.58 33.73 3k3s s HIS 7 CO 0.89 -0.11 1.83 0.00 -2.34 0.00 0.00 174.74 175.00 3k3s h ALA 8 N 5.29 2.25 -0.00 1.58 0.00 -1.97 -1.57 119.26 124.84 3k3s h ALA 8 Ca -0.28 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3k3s h ALA 8 Cb 1.21 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3k3s h ALA 8 CO 0.45 -0.58 -0.06 1.28 0.00 0.00 0.00 179.25 180.34 3k3s n LEU 9 N -4.53 0.14 -4.77 0.00 4.77 -1.26 -4.93 117.00 106.42 3k3s n LEU 9 Ca 0.21 0.27 -0.39 0.00 -0.03 0.00 0.00 56.01 56.08 3k3s n LEU 9 Cb 0.78 -0.33 -0.01 0.00 -2.33 0.00 0.00 43.42 41.53 3k3s n LEU 9 CO 0.29 0.03 0.89 -1.81 -1.33 0.00 0.00 177.39 175.47 3k3s s ASP 10 N -2.72 6.42 -0.03 -1.43 1.01 -0.59 -4.86 116.67 114.46 3k3s s ASP 10 Ca 0.23 2.48 0.15 0.00 0.71 0.00 0.00 52.55 56.12 3k3s s ASP 10 Cb 0.20 -2.62 0.46 0.00 1.01 0.00 0.00 42.92 41.96 3k3s s ASP 10 CO 0.51 -0.76 1.39 -0.46 0.21 0.00 0.00 175.17 176.05 3k3s n ASN 11 N 0.09 3.50 -4.16 0.27 0.23 -0.71 -4.94 115.26 109.53 3k3s n ASN 11 Ca 0.04 -2.15 -0.16 0.00 -0.53 0.00 0.00 54.58 51.78 3k3s n ASN 11 Cb 0.45 -0.37 -0.11 0.00 -2.08 0.00 0.00 39.78 37.67 3k3s n ASN 11 CO 0.00 0.00 0.00 0.68 -0.93 0.00 0.00 177.26 177.01 3k3s s VAL 12 N -1.28 0.98 0.22 3.53 -7.23 -1.24 -0.64 120.40 114.74 3k3s s VAL 12 Ca 0.35 -1.41 0.11 0.00 -1.81 0.00 0.00 61.98 59.22 3k3s s VAL 12 Cb 0.20 -1.12 -0.05 0.00 0.56 0.00 0.00 36.38 35.97 3k3s s VAL 12 CO 0.20 -0.37 -0.22 0.00 -0.31 0.00 0.00 175.10 174.40 3k3s s ALA 13 N -1.74 2.53 -0.22 1.32 0.00 -0.21 -4.66 121.76 118.78 3k3s s ALA 13 Ca -0.00 -1.71 -0.10 0.00 0.00 0.00 0.00 51.96 50.15 3k3s s ALA 13 Cb -0.07 -0.28 -0.05 0.00 0.00 0.00 0.00 23.12 22.72 3k3s s ALA 13 CO 0.01 0.35 0.15 0.08 0.00 0.00 0.00 175.76 176.35 3k3s s VAL 14 N -2.04 5.38 0.28 0.00 1.01 0.05 -0.85 120.40 124.22 3k3s s VAL 14 Ca 0.23 0.19 -0.29 0.00 0.00 0.00 0.00 61.98 62.11 3k3s s VAL 14 Cb -0.06 -3.49 -0.10 0.00 0.00 0.00 0.00 36.38 32.73 3k3s s VAL 14 CO 0.11 0.38 1.28 0.00 0.00 0.00 0.00 175.10 176.87 3k3s s ALA 15 N 0.81 3.50 -1.74 5.51 0.00 -0.20 -0.72 121.76 128.92 3k3s s ALA 15 Ca 0.08 1.16 0.17 0.00 0.00 0.00 0.00 51.96 53.36 3k3s s ALA 15 Cb -0.13 -3.46 0.04 0.00 0.00 0.00 0.00 23.12 19.58 3k3s s ALA 15 CO 0.02 -0.53 0.93 1.28 0.00 0.00 0.00 175.76 177.46 3k3s n LEU 16 N 1.51 1.92 -4.12 0.00 4.77 -0.13 -0.16 117.00 120.79 3k3s n LEU 16 Ca 0.02 -0.84 -0.11 0.00 -0.03 0.00 0.00 56.01 55.05 3k3s n LEU 16 Cb 0.42 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.43 3k3s n LEU 16 CO 0.58 0.35 -0.12 0.00 -1.33 0.00 0.00 177.39 176.88 3k3s s ALA 17 N -1.78 0.66 -0.27 -1.18 0.00 -1.25 -4.83 121.76 113.11 3k3s s ALA 17 Ca 0.16 -1.38 -0.29 0.00 0.00 0.00 0.00 51.96 50.45 3k3s s ALA 17 Cb 0.14 1.20 -0.02 0.00 0.00 0.00 0.00 23.12 24.44 3k3s s ALA 17 CO 0.35 -0.65 1.54 -0.51 0.00 0.00 0.00 175.76 176.49 3k3s s ASP 18 N -3.09 6.39 -0.14 0.00 1.01 -1.26 -3.33 116.67 116.25 3k3s s ASP 18 Ca 0.31 1.41 -0.03 0.00 0.71 0.00 0.00 52.55 54.95 3k3s s ASP 18 Cb 0.05 -2.53 -0.03 0.00 1.01 0.00 0.00 42.92 41.41 3k3s s ASP 18 CO 0.09 -1.28 -0.02 -0.76 0.21 0.00 0.00 175.17 173.40 3k3s s LEU 19 N 5.21 3.35 0.32 1.23 1.43 -0.27 -4.93 118.68 125.03 3k3s s LEU 19 Ca 0.68 -0.05 -0.21 0.00 -1.03 0.00 0.00 54.13 53.52 3k3s s LEU 19 Cb -0.22 -1.80 -0.09 0.00 0.03 0.00 0.00 46.19 44.11 3k3s s LEU 19 CO 0.29 0.23 0.84 0.00 0.23 0.00 0.00 176.35 177.93 3k3s s ALA 20 N 0.02 3.25 0.14 4.21 0.00 -1.26 -0.56 121.76 127.56 3k3s s ALA 20 Ca 0.01 0.29 -0.34 0.00 0.00 0.00 0.00 51.96 51.92 3k3s s ALA 20 Cb -0.13 -2.98 -0.17 0.00 0.00 0.00 0.00 23.12 19.84 3k3s s ALA 20 CO 0.02 0.24 1.09 -1.91 0.00 0.00 0.00 175.76 175.21 3k3s n GLU 21 N 0.10 0.85 0.00 0.00 2.13 -1.24 -1.75 120.64 120.73 3k3s n GLU 21 Ca 0.02 0.30 0.00 0.00 0.66 0.00 0.00 57.16 58.15 3k3s n GLU 21 Cb 0.52 -1.76 0.00 0.00 0.27 0.00 0.00 31.44 30.47 3k3s n GLU 21 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3k3s n GLY 22 N 1.96 1.41 3.76 8.31 0.00 -0.23 -4.94 105.19 115.47 3k3s n GLY 22 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3k3s n GLY 22 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k3s s THR 23 N -2.34 2.13 -0.20 2.61 2.01 -0.72 -4.64 115.64 114.49 3k3s s THR 23 Ca 0.00 0.11 -0.10 0.00 0.31 0.00 0.00 61.69 62.01 3k3s s THR 23 Cb 0.00 -3.07 -0.05 0.00 0.01 0.00 0.00 72.50 69.39 3k3s s THR 23 CO 0.00 0.02 0.15 -1.61 -0.69 0.00 0.00 174.62 172.49 3k3s s GLU 24 N -0.97 4.18 -0.06 4.92 2.02 -1.26 -0.73 118.70 126.81 3k3s s GLU 24 Ca 0.60 -0.20 0.05 0.00 0.02 0.00 0.00 54.97 55.44 3k3s s GLU 24 Cb -0.47 -3.43 -0.02 0.00 0.10 0.00 0.00 34.13 30.31 3k3s s GLU 24 CO 0.52 0.27 -0.22 0.08 0.02 0.00 0.00 175.26 175.93 3k3s s VAL 25 N 0.44 2.35 -0.37 2.63 1.01 0.83 -4.95 120.40 122.34 3k3s s VAL 25 Ca 0.09 -0.96 -0.20 0.00 0.00 0.00 0.00 61.98 60.90 3k3s s VAL 25 Cb -0.11 -1.88 0.01 0.00 0.00 0.00 0.00 36.38 34.39 3k3s s VAL 25 CO -0.01 0.57 0.63 -0.55 0.00 0.00 0.00 175.10 175.74 3k3s s SER 26 N -0.27 6.40 -0.05 3.32 0.15 -1.26 -0.42 113.70 121.57 3k3s s SER 26 Ca 0.00 0.06 -0.01 0.00 0.70 0.00 0.00 55.95 56.70 3k3s s SER 26 Cb -0.13 -2.32 0.03 0.00 -1.71 0.00 0.00 66.02 61.89 3k3s s SER 26 CO 0.03 -0.61 0.01 0.54 1.20 0.00 0.00 173.24 174.40 3k3s s VAL 27 N 2.71 0.25 -1.34 4.45 0.11 0.09 -4.87 120.40 121.79 3k3s s VAL 27 Ca 0.24 0.15 -0.02 0.00 -2.93 0.00 0.00 61.98 59.42 3k3s s VAL 27 Cb -0.14 -0.40 0.01 0.00 -1.53 0.00 0.00 36.38 34.32 3k3s s VAL 27 CO 0.15 0.21 0.72 -0.67 -3.33 0.00 0.00 175.10 172.19 3k3s n ASP 28 N 4.83 -1.56 -1.45 3.54 2.03 -1.26 -1.92 116.55 120.76 3k3s n ASP 28 Ca -0.13 -0.82 -0.16 0.00 0.52 0.00 0.00 54.79 54.20 3k3s n ASP 28 Cb 0.50 -4.00 -0.05 0.00 -0.72 0.00 0.00 41.12 36.85 3k3s n ASP 28 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 3k3s n ASN 29 N -3.03 -4.94 -4.26 1.67 4.13 -1.26 -4.98 115.26 102.59 3k3s n ASN 29 Ca -0.26 0.27 -0.14 0.00 1.68 0.00 0.00 54.58 56.13 3k3s n ASN 29 Cb 0.66 -3.94 -0.10 0.00 -1.54 0.00 0.00 39.78 34.86 3k3s n ASN 29 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 3k3s s GLN 30 N -3.85 1.26 -0.11 3.52 -0.21 -0.81 -5.16 119.66 114.30 3k3s s GLN 30 Ca 0.00 -1.66 0.01 0.00 0.02 0.00 0.00 55.36 53.73 3k3s s GLN 30 Cb 0.00 -0.08 -0.01 0.00 1.00 0.00 0.00 33.01 33.91 3k3s s GLN 30 CO 0.00 -0.29 -0.15 0.99 -2.12 0.00 0.00 175.29 173.72 3k3s s THR 31 N -3.87 2.89 -0.10 -0.19 2.01 -1.26 -0.73 115.64 114.39 3k3s s THR 31 Ca 0.34 -0.73 0.03 0.00 0.31 0.00 0.00 61.69 61.64 3k3s s THR 31 Cb 0.07 -2.18 -0.01 0.00 0.01 0.00 0.00 72.50 70.39 3k3s s THR 31 CO 0.10 0.54 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.70 3k3s s VAL 32 N 0.13 2.57 -0.23 3.82 1.01 0.44 -4.95 120.40 123.19 3k3s s VAL 32 Ca -0.08 -0.85 -0.06 0.00 0.00 0.00 0.00 61.98 60.98 3k3s s VAL 32 Cb -0.15 -2.02 -0.03 0.00 0.00 0.00 0.00 36.38 34.19 3k3s s VAL 32 CO 0.05 0.55 0.04 -0.89 0.00 0.00 0.00 175.10 174.86 3k3s s THR 33 N 0.11 4.15 0.33 3.92 2.01 -1.26 -0.12 115.64 124.77 3k3s s THR 33 Ca -0.09 -0.23 -0.29 0.00 0.31 0.00 0.00 61.69 61.39 3k3s s THR 33 Cb -0.15 -2.92 -0.10 0.00 0.01 0.00 0.00 72.50 69.33 3k3s s THR 33 CO 0.06 0.37 1.33 -0.76 -0.69 0.00 0.00 174.62 174.93 3k3s s LEU 34 N 1.42 4.42 0.00 4.42 1.43 0.09 -4.37 118.68 126.10 3k3s s LEU 34 Ca 0.05 2.71 0.15 0.00 -1.03 0.00 0.00 54.13 56.02 3k3s s LEU 34 Cb -0.15 -3.65 0.05 0.00 0.03 0.00 0.00 46.19 42.47 3k3s s LEU 34 CO 0.02 -0.57 0.89 0.54 0.23 0.00 0.00 176.35 177.47 3k3s n ARG 35 N 0.88 1.52 -3.88 1.70 1.74 0.12 -1.06 116.66 117.68 3k3s n ARG 35 Ca 0.00 -1.05 -0.09 0.00 -0.77 0.00 0.00 57.85 55.94 3k3s n ARG 35 Cb 0.41 -1.27 -0.06 0.00 -1.02 0.00 0.00 32.46 30.52 3k3s n ARG 35 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3k3s s GLN 36 N -1.60 1.11 0.33 5.56 1.11 -1.26 -4.87 119.66 120.03 3k3s s GLN 36 Ca 0.15 -1.04 -0.29 0.00 0.01 0.00 0.00 55.36 54.19 3k3s s GLN 36 Cb 0.13 0.40 -0.11 0.00 -1.01 0.00 0.00 33.01 32.41 3k3s s GLN 36 CO 0.30 -0.41 1.55 -0.51 0.01 0.00 0.00 175.29 176.23 3k3s s ASP 37 N -2.91 6.37 -0.25 5.90 1.01 -1.26 -3.62 116.67 121.90 3k3s s ASP 37 Ca 0.12 2.99 0.01 0.00 0.71 0.00 0.00 52.55 56.38 3k3s s ASP 37 Cb 0.03 -2.65 0.07 0.00 1.01 0.00 0.00 42.92 41.38 3k3s s ASP 37 CO -0.04 -0.89 -0.04 -0.69 0.21 0.00 0.00 175.17 173.72 3k3s s VAL 38 N -0.48 1.61 0.73 -1.27 1.01 0.28 -4.84 120.40 117.43 3k3s s VAL 38 Ca 0.59 -1.36 -0.15 0.00 0.00 0.00 0.00 61.98 61.06 3k3s s VAL 38 Cb -0.47 -1.90 0.04 0.00 0.00 0.00 0.00 36.38 34.05 3k3s s VAL 38 CO 0.54 -0.17 1.19 0.00 0.00 0.00 0.00 175.10 176.66 3k3s s ALA 39 N 1.34 2.13 0.44 5.51 0.00 -1.26 -1.11 121.76 128.81 3k3s s ALA 39 Ca -0.04 0.82 -0.25 0.00 0.00 0.00 0.00 51.96 52.50 3k3s s ALA 39 Cb -0.19 -3.45 -0.09 0.00 0.00 0.00 0.00 23.12 19.39 3k3s s ALA 39 CO -0.07 -1.85 1.32 2.89 0.00 0.00 0.00 175.76 178.04 3k3s n ARG 40 N -2.76 1.98 -0.03 0.00 1.85 -1.21 -1.40 116.66 115.08 3k3s n ARG 40 Ca 0.13 0.71 0.00 0.00 -1.00 0.00 0.00 57.85 57.69 3k3s n ARG 40 Cb 0.50 -2.47 0.00 0.00 -1.05 0.00 0.00 32.46 29.45 3k3s n ARG 40 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3k3s n GLY 41 N 0.75 2.68 3.93 2.89 0.00 0.77 -4.97 105.19 111.24 3k3s n GLY 41 Ca 0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 3k3s n GLY 41 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3k3s s HIS 42 N -2.95 3.49 0.31 1.61 3.76 -0.50 -4.77 115.29 116.25 3k3s s HIS 42 Ca 0.00 0.43 -0.17 0.00 -0.15 0.00 0.00 55.06 55.17 3k3s s HIS 42 Cb 0.00 -1.94 -0.09 0.00 1.11 0.00 0.00 32.58 31.65 3k3s s HIS 42 CO 0.00 0.17 0.76 0.15 -0.85 0.00 0.00 174.74 174.97 3k3s s LYS 43 N -3.96 4.08 0.07 1.40 1.02 -1.24 -1.03 119.74 120.08 3k3s s LYS 43 Ca 0.41 0.76 0.02 0.00 0.02 0.00 0.00 55.97 57.18 3k3s s LYS 43 Cb -0.10 -2.50 -0.03 0.00 -0.52 0.00 0.00 37.83 34.67 3k3s s LYS 43 CO 0.33 0.19 -0.07 -0.59 -0.92 0.00 0.00 175.35 174.29 3k3s s PHE 44 N -1.90 0.75 -0.03 3.18 -0.12 -0.03 -1.09 117.98 118.73 3k3s s PHE 44 Ca 0.53 -0.72 -0.29 0.00 -0.05 0.00 0.00 56.93 56.39 3k3s s PHE 44 Cb -0.12 -0.45 -0.03 0.00 -0.63 0.00 0.00 43.02 41.80 3k3s s PHE 44 CO 0.18 -0.13 0.96 0.00 -0.05 0.00 0.00 175.22 176.17 3k3s s ALA 45 N -2.54 3.24 -0.23 1.99 0.00 -0.46 -1.05 121.76 122.71 3k3s s ALA 45 Ca 0.01 0.46 0.20 0.00 0.00 0.00 0.00 51.96 52.62 3k3s s ALA 45 Cb -0.02 -3.32 0.03 0.00 0.00 0.00 0.00 23.12 19.81 3k3s s ALA 45 CO -0.03 -0.31 1.14 -0.07 0.00 0.00 0.00 175.76 176.50 3k3s h LEU 46 N 7.09 0.00 -8.60 0.00 3.38 -1.21 0.46 115.31 116.43 3k3s h LEU 46 Ca -0.39 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.33 3k3s h LEU 46 Cb 1.20 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.80 3k3s h LEU 46 CO 0.77 0.22 -0.59 0.42 0.09 0.00 0.00 178.44 179.35 3k3s s THR 47 N -3.17 0.00 0.31 0.22 -4.23 -1.25 -4.77 115.64 102.75 3k3s s THR 47 Ca 0.01 -1.98 -0.29 0.00 -1.18 0.00 0.00 61.69 58.25 3k3s s THR 47 Cb 0.08 -2.49 -0.11 0.00 1.34 0.00 0.00 72.50 71.32 3k3s s THR 47 CO 0.77 0.00 1.50 -1.81 -0.54 0.00 0.00 174.62 174.54 3k3s s ASP 48 N -3.17 6.46 -0.29 3.99 1.01 -1.26 -3.44 116.67 119.97 3k3s s ASP 48 Ca 0.39 2.90 0.02 0.00 0.71 0.00 0.00 52.55 56.57 3k3s s ASP 48 Cb 0.06 -2.64 0.08 0.00 1.01 0.00 0.00 42.92 41.43 3k3s s ASP 48 CO 0.13 -0.82 -0.01 -0.63 0.21 0.00 0.00 175.17 174.05 3k3s s ILE 49 N -0.46 1.87 0.71 0.77 1.01 0.08 -4.90 121.20 120.27 3k3s s ILE 49 Ca 0.58 -1.74 -0.14 0.00 0.00 0.00 0.00 60.65 59.35 3k3s s ILE 49 Cb -0.45 -2.21 0.03 0.00 0.01 0.00 0.00 42.46 39.84 3k3s s ILE 49 CO 0.52 -0.33 1.13 0.00 0.00 0.00 0.00 174.94 176.26 3k3s s ALA 50 N 1.18 2.28 0.04 9.38 0.00 -1.26 -1.02 121.76 132.36 3k3s s ALA 50 Ca 0.01 0.58 -0.36 0.00 0.00 0.00 0.00 51.96 52.18 3k3s s ALA 50 Cb -0.19 -3.35 -0.16 0.00 0.00 0.00 0.00 23.12 19.42 3k3s s ALA 50 CO -0.09 -1.61 1.48 1.17 0.00 0.00 0.00 175.76 176.71 3k3s n LYS 51 N -2.81 1.42 0.00 0.00 4.81 -1.25 -1.35 118.16 118.98 3k3s n LYS 51 Ca 0.11 0.51 0.00 0.00 -0.87 0.00 0.00 58.31 58.06 3k3s n LYS 51 Cb 0.52 -2.20 0.00 0.00 0.02 0.00 0.00 35.03 33.37 3k3s n LYS 51 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3k3s n GLY 52 N 3.05 2.49 3.80 3.14 0.00 -0.32 -4.94 105.19 112.41 3k3s n GLY 52 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 3k3s n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k3s s ALA 53 N -2.30 2.91 0.43 4.61 0.00 -0.46 -4.52 121.76 122.43 3k3s s ALA 53 Ca 0.00 0.59 -0.25 0.00 0.00 0.00 0.00 51.96 52.30 3k3s s ALA 53 Cb 0.00 -3.24 -0.08 0.00 0.00 0.00 0.00 23.12 19.80 3k3s s ALA 53 CO 0.00 -0.25 1.31 -0.80 0.00 0.00 0.00 175.76 176.02 3k3s s ASN 54 N -1.96 6.16 -0.15 0.00 0.02 -1.26 -0.82 114.94 116.94 3k3s s ASN 54 Ca 0.66 2.65 -0.21 0.00 -1.02 0.00 0.00 52.86 54.94 3k3s s ASN 54 Cb -0.16 -2.64 -0.03 0.00 0.02 0.00 0.00 41.25 38.44 3k3s s ASN 54 CO 0.20 -0.95 0.61 -0.69 0.02 0.00 0.00 177.10 176.28 3k3s s VAL 55 N -1.29 5.07 -0.21 1.60 1.01 -0.56 -4.85 120.40 121.17 3k3s s VAL 55 Ca 0.59 1.19 -0.04 0.00 0.00 0.00 0.00 61.98 63.72 3k3s s VAL 55 Cb -0.38 -3.93 -0.01 0.00 0.00 0.00 0.00 36.38 32.05 3k3s s VAL 55 CO 0.48 0.20 -0.03 -0.63 0.00 0.00 0.00 175.10 175.12 3k3s s ILE 56 N 1.33 3.56 -0.02 2.22 -1.09 -1.26 -1.36 121.20 124.57 3k3s s ILE 56 Ca 0.30 -0.43 -0.03 0.00 -2.23 0.00 0.00 60.65 58.25 3k3s s ILE 56 Cb -0.16 -2.62 0.00 0.00 -1.58 0.00 0.00 42.46 38.11 3k3s s ILE 56 CO 0.12 0.42 0.08 -0.75 -1.23 0.00 0.00 174.94 173.58 3k3s s LYS 57 N 1.33 0.16 -0.52 2.79 2.20 -0.44 -1.74 119.74 123.52 3k3s s LYS 57 Ca 0.04 -0.01 0.00 0.00 -0.36 0.00 0.00 55.97 55.64 3k3s s LYS 57 Cb -0.14 0.07 0.00 0.00 -1.51 0.00 0.00 37.83 36.25 3k3s s LYS 57 CO -0.01 -0.03 0.00 0.66 -0.36 0.00 0.00 175.35 175.61 3k3s n TYR 58 N 2.72 0.00 -0.83 4.03 4.01 -1.26 -1.04 117.16 124.80 3k3s n TYR 58 Ca -0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.59 3k3s n TYR 58 Cb 0.59 -2.13 0.00 0.00 -0.31 0.00 0.00 39.34 37.49 3k3s n TYR 58 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3k3s n GLY 59 N 0.20 0.79 3.56 2.72 0.00 -1.26 -4.89 105.19 106.32 3k3s n GLY 59 Ca -0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 3k3s n GLY 59 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k3s s LEU 60 N 0.00 3.00 -0.29 0.99 1.43 -0.20 -4.99 118.68 118.61 3k3s s LEU 60 Ca 0.00 -0.38 -0.29 0.00 -1.03 0.00 0.00 54.13 52.43 3k3s s LEU 60 Cb 0.00 -1.79 0.00 0.00 0.03 0.00 0.00 46.19 44.43 3k3s s LEU 60 CO 0.00 0.19 1.30 -2.16 0.23 0.00 0.00 176.35 175.91 3k3s s PRO 61 N -2.07 3.94 0.00 1.29 0.04 -1.26 -1.33 135.00 135.60 3k3s s PRO 61 Ca 0.20 1.28 0.16 0.00 0.04 0.00 0.00 61.00 62.68 3k3s s PRO 61 Cb -0.11 -3.87 -0.06 0.00 0.04 0.00 0.00 34.50 30.50 3k3s s PRO 61 CO 0.12 -1.09 0.78 0.44 0.04 0.00 0.00 177.00 177.29 3k3s n ILE 62 N 6.15 0.00 -3.60 0.56 -5.35 -0.47 -4.92 119.36 111.73 3k3s n ILE 62 Ca 0.15 -0.27 0.00 0.00 -0.27 0.00 0.00 62.75 62.36 3k3s n ILE 62 Cb 0.46 1.12 0.00 0.00 -1.74 0.00 0.00 39.64 39.49 3k3s n ILE 62 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3k3s n GLY 63 N 1.21 -0.52 3.28 3.28 0.00 -1.24 -0.52 105.19 110.69 3k3s n GLY 63 Ca 0.05 -0.92 -0.11 0.00 0.00 0.00 0.00 46.02 45.04 3k3s n GLY 63 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3k3s s TYR 64 N -3.01 -0.12 0.26 1.61 1.13 -0.73 -1.49 117.35 115.00 3k3s s TYR 64 Ca 0.00 -0.11 -0.29 0.00 -1.41 0.00 0.00 57.07 55.25 3k3s s TYR 64 Cb 0.00 0.15 -0.09 0.00 -1.10 0.00 0.00 41.96 40.92 3k3s s TYR 64 CO 0.00 -0.60 1.00 0.00 -2.51 0.00 0.00 175.55 173.44 3k3s s ALA 65 N -3.23 3.34 -0.93 9.51 0.00 0.00 -1.48 121.76 128.98 3k3s s ALA 65 Ca -0.00 0.71 0.25 0.00 0.00 0.00 0.00 51.96 52.91 3k3s s ALA 65 Cb 0.01 -3.25 0.47 0.00 0.00 0.00 0.00 23.12 20.36 3k3s s ALA 65 CO -0.08 0.07 1.39 1.28 0.00 0.00 0.00 175.76 178.43 3k3s n LEU 66 N 1.28 0.53 -3.66 0.00 4.77 0.12 -1.17 117.00 118.86 3k3s n LEU 66 Ca -0.01 0.04 -0.09 0.00 -0.03 0.00 0.00 56.01 55.92 3k3s n LEU 66 Cb 0.47 -0.24 -0.02 0.00 -2.33 0.00 0.00 43.42 41.30 3k3s n LEU 66 CO 0.51 0.09 0.43 0.00 -1.33 0.00 0.00 177.39 177.09 3k3s s ALA 67 N -3.04 -1.38 0.18 -1.18 0.00 -1.25 -4.87 121.76 110.22 3k3s s ALA 67 Ca 0.10 0.05 -0.32 0.00 0.00 0.00 0.00 51.96 51.79 3k3s s ALA 67 Cb 0.17 0.87 -0.12 0.00 0.00 0.00 0.00 23.12 24.04 3k3s s ALA 67 CO 0.70 -0.91 1.75 -0.25 0.00 0.00 0.00 175.76 177.05 3k3s n ASP 68 N -0.42 3.96 -4.34 0.00 8.00 -1.26 -3.77 116.55 118.71 3k3s n ASP 68 Ca -0.10 1.04 -0.32 0.00 0.71 0.00 0.00 54.79 56.12 3k3s n ASP 68 Cb 0.62 -1.56 -0.15 0.00 -0.02 0.00 0.00 41.12 40.01 3k3s n ASP 68 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3k3s s ILE 69 N 1.55 2.62 0.04 0.53 1.01 -0.19 -4.89 121.20 121.87 3k3s s ILE 69 Ca 0.77 -0.84 -0.15 0.00 0.00 0.00 0.00 60.65 60.43 3k3s s ILE 69 Cb -0.51 -2.03 -0.06 0.00 0.01 0.00 0.00 42.46 39.86 3k3s s ILE 69 CO 0.34 0.56 0.45 0.00 0.00 0.00 0.00 174.94 176.29 3k3s s ALA 70 N -0.02 3.67 0.12 9.38 0.00 -1.26 -0.75 121.76 132.90 3k3s s ALA 70 Ca -0.05 -0.18 -0.34 0.00 0.00 0.00 0.00 51.96 51.38 3k3s s ALA 70 Cb -0.15 -2.43 -0.17 0.00 0.00 0.00 0.00 23.12 20.37 3k3s s ALA 70 CO 0.05 0.47 0.98 0.00 0.00 0.00 0.00 175.76 177.26 3k3s n ALA 71 N 1.60 -2.24 -0.18 0.00 0.00 -1.22 -0.90 120.51 117.57 3k3s n ALA 71 Ca -0.12 0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.83 3k3s n ALA 71 Cb 0.52 -1.84 0.00 0.00 0.00 0.00 0.00 19.45 18.13 3k3s n ALA 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k3s n GLY 72 N 1.85 1.64 3.87 0.00 0.00 0.16 -4.79 105.19 107.92 3k3s n GLY 72 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 3k3s n GLY 72 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k3s s GLU 73 N -0.35 3.62 0.07 1.61 2.02 -0.07 -0.70 118.70 124.89 3k3s s GLU 73 Ca 0.00 0.74 -0.31 0.00 0.02 0.00 0.00 54.97 55.43 3k3s s GLU 73 Cb 0.00 -2.09 -0.07 0.00 0.10 0.00 0.00 34.13 32.07 3k3s s GLU 73 CO 0.00 -0.54 1.33 -1.58 0.02 0.00 0.00 175.26 174.49 3k3s s HIS 74 N -3.13 3.21 -0.22 1.61 5.65 -1.26 -1.36 115.29 119.78 3k3s s HIS 74 Ca 0.55 1.02 -0.03 0.00 0.25 0.00 0.00 55.06 56.85 3k3s s HIS 74 Cb -0.11 -3.60 -0.00 0.00 -1.18 0.00 0.00 32.58 27.69 3k3s s HIS 74 CO 0.52 -2.07 -0.05 0.08 -0.65 0.00 0.00 174.74 172.57 3k3s s VAL 75 N 1.41 3.22 0.00 0.89 1.01 -0.25 -4.91 120.40 121.77 3k3s s VAL 75 Ca 0.63 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 62.01 3k3s s VAL 75 Cb -0.33 -2.49 0.00 0.00 0.00 0.00 0.00 36.38 33.56 3k3s s VAL 75 CO 0.29 0.39 0.00 1.57 0.00 0.00 0.00 175.10 177.35 3k3s n HIS 76 N 4.77 -0.37 0.29 5.22 -0.00 -1.26 -3.71 115.22 120.16 3k3s n HIS 76 Ca -0.18 0.00 0.13 0.00 -0.00 0.00 0.00 57.72 57.67 3k3s n HIS 76 Cb 0.50 0.00 0.84 0.00 -0.00 0.00 0.00 29.99 31.33 3k3s n HIS 76 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3k3s h ALA 77 N 2.00 1.56 -0.17 1.57 0.00 -1.98 -0.83 119.26 121.41 3k3s h ALA 77 Ca 0.00 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 3k3s h ALA 77 Cb 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3k3s h ALA 77 CO 0.00 0.03 -0.38 1.12 0.00 0.00 0.00 179.25 180.03 3k3s h HIS 78 N 0.00 0.44 0.00 0.00 -0.00 -1.97 -3.34 115.15 110.28 3k3s h HIS 78 Ca -0.00 -0.12 0.00 0.00 -0.00 0.00 0.00 60.37 60.25 3k3s h HIS 78 Cb 0.06 -0.10 0.00 0.00 -0.00 0.00 0.00 27.41 27.37 3k3s h HIS 78 CO 0.00 0.70 0.00 0.27 -0.00 0.00 0.00 177.93 178.90 3k3s n ASN 79 N -4.05 1.16 -4.08 3.10 0.23 -0.86 -4.94 115.26 105.83 3k3s n ASN 79 Ca -0.01 -1.38 -0.08 0.00 -0.53 0.00 0.00 54.58 52.57 3k3s n ASN 79 Cb 0.47 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 38.07 3k3s n ASN 79 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 3k3s s THR 80 N -0.38 0.29 -0.12 5.53 -4.23 -0.37 0.12 115.64 116.48 3k3s s THR 80 Ca 0.00 -1.57 -0.01 0.00 -1.18 0.00 0.00 61.69 58.93 3k3s s THR 80 Cb 0.00 -1.19 -0.02 0.00 1.34 0.00 0.00 72.50 72.63 3k3s s THR 80 CO 0.00 -0.82 -0.10 -0.60 -0.54 0.00 0.00 174.62 172.56 3k3s s ARG 81 N -3.17 3.28 -0.06 3.99 3.52 -0.55 -4.41 118.95 121.55 3k3s s ARG 81 Ca 0.01 -0.62 -0.19 0.00 -0.13 0.00 0.00 55.73 54.80 3k3s s ARG 81 Cb 0.02 -2.68 -0.05 0.00 -1.56 0.00 0.00 34.95 30.69 3k3s s ARG 81 CO -0.06 0.33 0.53 0.99 -0.81 0.00 0.00 175.30 176.27 3k3s s THR 82 N 0.07 5.06 -0.79 4.11 2.01 -1.26 -1.77 115.64 123.07 3k3s s THR 82 Ca -0.03 1.08 0.09 0.00 0.31 0.00 0.00 61.69 63.14 3k3s s THR 82 Cb -0.14 -3.86 0.26 0.00 0.01 0.00 0.00 72.50 68.76 3k3s s THR 82 CO 0.04 0.38 1.21 0.59 -0.69 0.00 0.00 174.62 176.15 3k3s n ASN 83 N 3.13 2.77 0.00 3.53 3.02 0.32 -4.96 115.26 123.07 3k3s n ASN 83 Ca -0.07 -1.99 0.05 0.00 -0.03 0.00 0.00 54.58 52.54 3k3s n ASN 83 Cb 0.51 -0.19 0.32 0.00 -0.61 0.00 0.00 39.78 39.81 3k3s n ASN 83 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82