#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k1f s ASN 3 N 0.00 1.49 0.32 4.04 2.47 -1.26 -5.00 114.94 116.99 3k1f s ASN 3 Ca 0.00 -0.19 -0.28 0.00 0.42 0.00 0.00 52.86 52.81 3k1f s ASN 3 Cb 0.00 -0.60 -0.09 0.00 -1.45 0.00 0.00 41.25 39.11 3k1f s ASN 3 CO 0.00 -0.08 1.11 -0.89 -3.72 0.00 0.00 177.10 173.52 3k1f s THR 4 N 1.26 3.43 -0.07 -5.21 2.01 -1.26 -2.50 115.64 113.30 3k1f s THR 4 Ca -0.05 1.36 0.01 0.00 0.31 0.00 0.00 61.69 63.31 3k1f s THR 4 Cb -0.14 -3.83 0.01 0.00 0.01 0.00 0.00 72.50 68.55 3k1f s THR 4 CO -0.02 0.26 0.73 0.18 -0.69 0.00 0.00 174.62 175.08 3k1f n LEU 5 N 0.84 1.47 -3.63 4.42 4.77 -1.26 -4.79 117.00 118.83 3k1f n LEU 5 Ca 0.00 -1.42 -0.08 0.00 -0.03 0.00 0.00 56.01 54.49 3k1f n LEU 5 Cb 0.45 -0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.47 3k1f n LEU 5 CO 0.53 0.36 0.85 0.12 -1.33 0.00 0.00 177.39 177.92 3k1f s PHE 6 N -0.45 -0.35 -0.25 -1.77 5.36 -1.26 -4.38 117.98 114.88 3k1f s PHE 6 Ca 0.01 0.80 -0.10 0.00 -0.96 0.00 0.00 56.93 56.69 3k1f s PHE 6 Cb 0.01 0.41 0.10 0.00 -0.34 0.00 0.00 43.02 43.20 3k1f s PHE 6 CO 0.01 -0.20 0.56 0.34 -1.46 0.00 0.00 175.22 174.47 3k1f s ASP 7 N -0.14 -0.78 -0.03 6.13 -1.08 -1.26 -2.72 116.67 116.79 3k1f s ASP 7 Ca 0.03 1.33 -0.30 0.00 -0.52 0.00 0.00 52.55 53.09 3k1f s ASP 7 Cb -0.04 1.74 0.11 0.00 -1.46 0.00 0.00 42.92 43.27 3k1f s ASP 7 CO -0.07 -0.22 1.00 -0.62 0.52 0.00 0.00 175.17 175.78 3k1f s ASP 8 N 2.50 -0.27 -0.17 -0.34 3.68 -1.12 -5.05 116.67 115.90 3k1f s ASP 8 Ca -0.06 -0.05 -0.02 0.00 2.13 0.00 0.00 52.55 54.55 3k1f s ASP 8 Cb -0.11 0.32 -0.01 0.00 -1.45 0.00 0.00 42.92 41.68 3k1f s ASP 8 CO -0.17 -0.54 -0.09 -0.63 0.13 0.00 0.00 175.17 173.87 3k1f s ILE 9 N -2.93 3.14 0.35 4.11 1.09 -1.26 -1.20 121.20 124.50 3k1f s ILE 9 Ca 0.07 -0.60 0.09 0.00 -1.10 0.00 0.00 60.65 59.11 3k1f s ILE 9 Cb -0.01 -2.37 -0.05 0.00 -1.06 0.00 0.00 42.46 38.97 3k1f s ILE 9 CO -0.06 0.48 0.07 -0.36 -0.10 0.00 0.00 174.94 174.97 3k1f s PHE 10 N 0.92 2.61 -0.04 3.97 0.40 -0.28 -1.23 117.98 124.32 3k1f s PHE 10 Ca -0.02 -0.44 0.03 0.00 -0.60 0.00 0.00 56.93 55.91 3k1f s PHE 10 Cb -0.15 -1.59 0.00 0.00 0.51 0.00 0.00 43.02 41.79 3k1f s PHE 10 CO -0.00 0.40 -0.13 -1.14 0.70 0.00 0.00 175.22 175.05 3k1f s GLN 11 N -3.78 1.41 -0.07 0.44 0.74 -0.40 -1.34 119.66 116.67 3k1f s GLN 11 Ca 0.36 -0.45 -0.30 0.00 0.05 0.00 0.00 55.36 55.03 3k1f s GLN 11 Cb -0.00 -1.25 -0.04 0.00 1.10 0.00 0.00 33.01 32.82 3k1f s GLN 11 CO 0.21 0.15 1.38 0.08 -0.55 0.00 0.00 175.29 176.56 3k1f s VAL 12 N 0.21 3.93 -0.16 1.34 1.01 -1.17 -2.95 120.40 122.61 3k1f s VAL 12 Ca -0.05 1.22 -0.14 0.00 0.00 0.00 0.00 61.98 63.01 3k1f s VAL 12 Cb -0.11 -3.79 -0.23 0.00 0.00 0.00 0.00 36.38 32.25 3k1f s VAL 12 CO 0.02 -0.05 0.32 -1.28 0.00 0.00 0.00 175.10 174.10 3k1f h SER 13 N 8.21 0.24 -4.44 3.32 0.87 -0.95 -0.33 113.55 120.47 3k1f h SER 13 Ca -0.34 -0.75 -0.09 0.00 -1.23 0.00 0.00 61.79 59.37 3k1f h SER 13 Cb 1.15 -0.08 -0.21 0.00 -0.44 0.00 0.00 62.40 62.82 3k1f h SER 13 CO 0.93 1.69 -0.10 -0.70 -0.53 0.00 0.00 176.83 178.11 3k1f s GLU 14 N -2.47 0.71 -0.36 2.24 2.12 -1.22 -4.77 118.70 114.95 3k1f s GLU 14 Ca -0.25 0.36 -0.12 0.00 0.36 0.00 0.00 54.97 55.32 3k1f s GLU 14 Cb 0.06 0.33 0.01 0.00 0.26 0.00 0.00 34.13 34.80 3k1f s GLU 14 CO 0.69 -0.16 0.23 0.08 -0.54 0.00 0.00 175.26 175.56 3k1f s VAL 15 N -0.48 4.88 -0.44 3.70 1.01 -1.26 -1.70 120.40 126.12 3k1f s VAL 15 Ca -0.06 -0.61 -0.03 0.00 0.00 0.00 0.00 61.98 61.29 3k1f s VAL 15 Cb -0.03 -3.64 0.12 0.00 0.00 0.00 0.00 36.38 32.83 3k1f s VAL 15 CO 0.04 -0.15 0.24 -0.62 0.00 0.00 0.00 175.10 174.60 3k1f s ASP 16 N 1.63 5.23 -0.91 3.32 2.15 -0.32 -4.96 116.67 122.79 3k1f s ASP 16 Ca 0.04 -2.17 -0.14 0.00 0.43 0.00 0.00 52.55 50.71 3k1f s ASP 16 Cb -0.18 -1.82 0.21 0.00 -0.30 0.00 0.00 42.92 40.82 3k1f s ASP 16 CO 0.08 -0.51 0.92 -2.16 -0.17 0.00 0.00 175.17 173.34 3k1f s PRO 17 N 0.93 3.73 -0.98 4.34 0.04 -1.26 -0.93 135.00 140.87 3k1f s PRO 17 Ca 0.10 -2.48 -0.27 0.00 0.04 0.00 0.00 61.00 58.39 3k1f s PRO 17 Cb -0.22 -4.57 -0.23 0.00 0.04 0.00 0.00 34.50 29.52 3k1f s PRO 17 CO -0.04 -1.39 2.03 0.41 0.04 0.00 0.00 177.00 178.04 3k1f n GLY 18 N 4.02 -0.04 2.37 0.56 0.00 -1.26 -3.31 105.19 107.53 3k1f n GLY 18 Ca 0.19 -0.19 -0.15 0.00 0.00 0.00 0.00 46.02 45.86 3k1f n GLY 18 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3k1f n ARG 19 N 8.12 -1.44 -3.59 1.61 0.00 -1.26 -4.96 116.66 115.13 3k1f n ARG 19 Ca 0.43 0.95 -0.36 0.00 -0.00 0.00 0.00 57.85 58.87 3k1f n ARG 19 Cb 0.46 -5.26 -0.07 0.00 0.00 0.00 0.00 32.46 27.60 3k1f n ARG 19 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 3k1f s TYR 20 N -2.29 3.50 -0.57 -0.14 1.51 -1.21 -4.99 117.35 113.16 3k1f s TYR 20 Ca 0.00 0.59 0.22 0.00 -1.01 0.00 0.00 57.07 56.88 3k1f s TYR 20 Cb 0.00 -2.27 -0.09 0.00 -0.11 0.00 0.00 41.96 39.49 3k1f s TYR 20 CO 0.00 0.34 0.89 0.09 -1.11 0.00 0.00 175.55 175.76 3k1f n ASN 21 N 3.22 0.57 -0.00 2.29 3.02 -1.26 -4.49 115.26 118.60 3k1f n ASN 21 Ca -0.13 -0.32 0.00 0.00 -0.03 0.00 0.00 54.58 54.10 3k1f n ASN 21 Cb 0.52 1.08 -0.02 0.00 -0.61 0.00 0.00 39.78 40.75 3k1f n ASN 21 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3k1f n LYS 22 N -1.94 1.41 -4.84 3.52 5.02 -1.26 -4.63 118.16 115.44 3k1f n LYS 22 Ca 0.01 -0.01 -0.27 0.00 -2.02 0.00 0.00 58.31 56.02 3k1f n LYS 22 Cb 0.44 -1.05 -0.16 0.00 -0.02 0.00 0.00 35.03 34.24 3k1f n LYS 22 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3k1f s VAL 23 N -2.11 1.46 -0.08 -0.18 1.01 -1.26 -0.31 120.40 118.92 3k1f s VAL 23 Ca -0.01 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 61.30 3k1f s VAL 23 Cb 0.01 -1.27 -0.00 0.00 0.00 0.00 0.00 36.38 35.12 3k1f s VAL 23 CO 0.09 0.42 -0.22 0.00 0.00 0.00 0.00 175.10 175.39 3k1f s ARG 25 N 0.28 3.47 -0.12 0.00 3.52 -0.11 -0.99 118.95 125.01 3k1f s ARG 25 Ca -0.15 -0.03 -0.21 0.00 -0.13 0.00 0.00 55.73 55.22 3k1f s ARG 25 Cb -0.17 -3.92 -0.04 0.00 -1.56 0.00 0.00 34.95 29.27 3k1f s ARG 25 CO 0.07 -1.07 0.59 -1.50 -0.81 0.00 0.00 175.30 172.57 3k1f s ILE 26 N 3.27 5.10 -0.35 4.11 1.10 0.17 -1.18 121.20 133.43 3k1f s ILE 26 Ca 0.30 1.18 -0.12 0.00 -0.51 0.00 0.00 60.65 61.50 3k1f s ILE 26 Cb -0.12 -3.92 -0.00 0.00 0.15 0.00 0.00 42.46 38.56 3k1f s ILE 26 CO 0.22 0.25 0.22 -0.70 -2.11 0.00 0.00 174.94 172.82 3k1f s GLU 27 N 0.98 3.27 0.00 3.50 2.56 -0.69 -1.55 118.70 126.78 3k1f s GLU 27 Ca 0.31 -0.79 -0.05 0.00 0.00 0.00 0.00 54.97 54.44 3k1f s GLU 27 Cb -0.16 -3.75 -0.00 0.00 2.00 0.00 0.00 34.13 32.22 3k1f s GLU 27 CO 0.13 -0.52 0.08 0.00 -0.56 0.00 0.00 175.26 174.40 3k1f s ALA 28 N 1.66 -0.18 0.17 6.30 0.00 0.13 -0.19 121.76 129.64 3k1f s ALA 28 Ca 0.05 -0.22 0.09 0.00 0.00 0.00 0.00 51.96 51.87 3k1f s ALA 28 Cb -0.18 0.09 -0.04 0.00 0.00 0.00 0.00 23.12 22.99 3k1f s ALA 28 CO 0.09 -0.18 -0.19 0.00 0.00 0.00 0.00 175.76 175.48 3k1f s ALA 29 N -1.24 2.06 0.77 0.00 0.00 -1.15 -0.22 121.76 121.98 3k1f s ALA 29 Ca -0.13 -1.50 -0.11 0.00 0.00 0.00 0.00 51.96 50.22 3k1f s ALA 29 Cb -0.08 -0.20 0.05 0.00 0.00 0.00 0.00 23.12 22.90 3k1f s ALA 29 CO 0.01 0.26 1.09 0.45 0.00 0.00 0.00 175.76 177.57 3k1f s SER 30 N -2.63 4.57 -0.11 0.00 0.15 -0.34 -1.27 113.70 114.06 3k1f s SER 30 Ca 0.16 1.75 0.04 0.00 0.70 0.00 0.00 55.95 58.59 3k1f s SER 30 Cb -0.06 -2.48 -0.24 0.00 -1.71 0.00 0.00 66.02 61.53 3k1f s SER 30 CO 0.07 -1.98 0.40 0.41 1.20 0.00 0.00 173.24 173.33 3k1f n THR 31 N -3.49 1.66 0.13 6.45 -1.04 -0.37 -4.47 114.28 113.15 3k1f n THR 31 Ca 0.09 -0.72 -0.22 0.00 -2.04 0.00 0.00 64.05 61.16 3k1f n THR 31 Cb 0.53 -1.33 -0.14 0.00 -1.82 0.00 0.00 70.33 67.57 3k1f n THR 31 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 3k1f h THR 32 N 0.03 1.34 -3.49 12.58 2.02 -1.95 -3.46 112.91 119.97 3k1f h THR 32 Ca -0.40 -2.74 -0.66 0.00 0.77 0.00 0.00 66.41 63.38 3k1f h THR 32 Cb 2.03 2.94 -0.24 0.00 -1.74 0.00 0.00 68.15 71.14 3k1f h THR 32 CO 0.06 0.82 -0.74 -1.10 0.37 0.00 0.00 175.52 174.94 3k1f s GLN 33 N -2.71 3.20 -0.36 6.66 1.11 -1.26 -5.02 119.66 121.27 3k1f s GLN 33 Ca -0.08 -0.63 -0.02 0.00 0.01 0.00 0.00 55.36 54.64 3k1f s GLN 33 Cb 0.05 -2.64 0.19 0.00 -1.01 0.00 0.00 33.01 29.60 3k1f s GLN 33 CO 0.93 0.36 2.20 -0.25 0.01 0.00 0.00 175.29 178.54 3k1f n ASP 34 N 3.12 6.52 0.00 5.90 8.00 -1.26 -3.57 116.55 135.25 3k1f n ASP 34 Ca -0.18 -3.12 0.00 0.00 0.71 0.00 0.00 54.79 52.20 3k1f n ASP 34 Cb 0.53 -1.10 0.00 0.00 -0.02 0.00 0.00 41.12 40.53 3k1f n ASP 34 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3k1f n GLN 35 N 0.43 0.00 -2.56 -1.24 -0.00 -1.26 -5.11 117.38 107.64 3k1f n GLN 35 Ca 0.36 0.00 -0.42 0.00 -0.00 0.00 0.00 57.00 56.94 3k1f n GLN 35 Cb 0.58 0.00 -0.03 0.00 -0.00 0.00 0.00 30.24 30.79 3k1f n GLN 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3k1f s LYS 37 N 5.28 3.27 -0.28 0.00 1.02 -1.26 -1.20 119.74 126.56 3k1f s LYS 37 Ca 0.41 -0.47 -0.15 0.00 0.02 0.00 0.00 55.97 55.77 3k1f s LYS 37 Cb -0.08 -2.64 0.10 0.00 -0.52 0.00 0.00 37.83 34.70 3k1f s LYS 37 CO 0.22 -0.04 0.73 -1.17 -0.92 0.00 0.00 175.35 174.17 3k1f s LEU 38 N -4.40 -0.90 -0.24 3.17 2.96 0.70 -3.17 118.68 116.79 3k1f s LEU 38 Ca 0.44 1.40 -0.00 0.00 -0.22 0.00 0.00 54.13 55.75 3k1f s LEU 38 Cb -0.10 2.26 0.07 0.00 0.50 0.00 0.00 46.19 48.92 3k1f s LEU 38 CO 0.36 -0.22 0.00 -0.89 -1.32 0.00 0.00 176.35 174.29 3k1f s THR 39 N 1.81 1.22 -0.04 3.68 2.01 -0.46 -0.69 115.64 123.15 3k1f s THR 39 Ca -0.09 -1.16 0.02 0.00 0.31 0.00 0.00 61.69 60.77 3k1f s THR 39 Cb -0.06 -1.64 0.01 0.00 0.01 0.00 0.00 72.50 70.82 3k1f s THR 39 CO -0.19 -0.26 -0.10 -0.22 -0.69 0.00 0.00 174.62 173.16 3k1f s LEU 40 N 1.52 1.67 -0.02 4.42 2.96 -0.59 -1.11 118.68 127.52 3k1f s LEU 40 Ca -0.01 -0.23 -0.30 0.00 -0.22 0.00 0.00 54.13 53.37 3k1f s LEU 40 Cb -0.18 -0.67 -0.03 0.00 0.50 0.00 0.00 46.19 45.81 3k1f s LEU 40 CO -0.10 0.04 1.00 -1.81 -1.32 0.00 0.00 176.35 174.16 3k1f s ASP 41 N 0.47 7.33 0.02 3.68 1.01 -0.56 -0.66 116.67 127.96 3k1f s ASP 41 Ca -0.09 1.65 0.05 0.00 0.71 0.00 0.00 52.55 54.88 3k1f s ASP 41 Cb -0.13 -2.57 -0.02 0.00 1.01 0.00 0.00 42.92 41.22 3k1f s ASP 41 CO 0.02 -0.32 -0.16 -0.63 0.21 0.00 0.00 175.17 174.29 3k1f s ILE 42 N 1.25 1.29 -0.76 0.77 1.01 -0.16 -4.81 121.20 119.79 3k1f s ILE 42 Ca 0.52 -0.89 -0.27 0.00 0.00 0.00 0.00 60.65 60.01 3k1f s ILE 42 Cb -0.21 -1.12 0.03 0.00 0.01 0.00 0.00 42.46 41.17 3k1f s ILE 42 CO 0.26 0.21 1.36 0.21 0.00 0.00 0.00 174.94 176.98 3k1f s ASN 43 N -0.78 6.10 0.52 3.58 3.84 -1.26 -1.04 114.94 125.90 3k1f s ASN 43 Ca 0.05 -0.49 0.31 0.00 0.21 0.00 0.00 52.86 52.94 3k1f s ASN 43 Cb -0.07 -2.56 1.20 0.00 -0.55 0.00 0.00 41.25 39.27 3k1f s ASN 43 CO 0.00 -1.86 1.92 1.62 -2.79 0.00 0.00 177.10 175.99 3k1f h VAL 44 N 6.20 0.12 -0.30 -5.21 3.04 -0.83 -1.11 116.25 118.17 3k1f h VAL 44 Ca -0.22 -0.68 -0.11 0.00 -1.01 0.00 0.00 66.70 64.68 3k1f h VAL 44 Cb 1.06 1.60 -0.01 0.00 -2.01 0.00 0.00 31.29 31.93 3k1f h VAL 44 CO 1.29 0.05 -0.24 -0.08 -1.01 0.00 0.00 177.57 177.58 3k1f h GLU 45 N 0.00 0.69 0.00 4.17 4.81 -1.81 -3.20 114.58 119.24 3k1f h GLU 45 Ca -0.00 -0.34 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 3k1f h GLU 45 Cb 0.60 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.98 3k1f h GLU 45 CO 0.01 0.95 -0.04 -0.07 -0.73 0.00 0.00 179.01 179.12 3k1f h LEU 46 N 0.44 0.00 -7.55 1.64 3.38 -1.86 -3.43 115.31 107.93 3k1f h LEU 46 Ca 0.06 0.00 -0.70 0.00 0.09 0.00 0.00 57.88 57.33 3k1f h LEU 46 Cb 0.79 0.00 -0.35 0.00 0.09 0.00 0.00 40.66 41.19 3k1f h LEU 46 CO 0.06 0.27 -0.33 0.12 0.09 0.00 0.00 178.44 178.65 3k1f s PHE 47 N -1.33 3.43 -0.21 1.13 5.36 -0.43 -5.08 117.98 120.86 3k1f s PHE 47 Ca -0.01 -2.73 -0.29 0.00 -0.96 0.00 0.00 56.93 52.94 3k1f s PHE 47 Cb 0.00 -3.22 0.00 0.00 -0.34 0.00 0.00 43.02 39.47 3k1f s PHE 47 CO 0.02 -0.83 1.07 -1.25 -1.46 0.00 0.00 175.22 172.77 3k1f s PRO 48 N -0.17 4.27 -0.11 10.12 0.05 -1.21 -4.18 135.00 143.77 3k1f s PRO 48 Ca 0.18 1.41 -0.07 0.00 0.05 0.00 0.00 61.00 62.57 3k1f s PRO 48 Cb -0.19 -3.65 -0.04 0.00 0.05 0.00 0.00 34.50 30.67 3k1f s PRO 48 CO -0.04 -0.62 0.15 0.08 0.05 0.00 0.00 177.00 176.63 3k1f s VAL 49 N 3.15 5.49 0.30 -0.36 1.01 -1.26 -5.10 120.40 123.62 3k1f s VAL 49 Ca 0.46 0.21 0.08 0.00 0.00 0.00 0.00 61.98 62.73 3k1f s VAL 49 Cb -0.16 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 3k1f s VAL 49 CO 0.08 0.60 0.16 0.00 0.00 0.00 0.00 175.10 175.94 3k1f s ALA 50 N -1.05 3.52 0.49 5.51 0.00 -1.26 -4.95 121.76 124.03 3k1f s ALA 50 Ca 0.16 -1.64 -0.21 0.00 0.00 0.00 0.00 51.96 50.27 3k1f s ALA 50 Cb -0.12 -1.00 -0.07 0.00 0.00 0.00 0.00 23.12 21.93 3k1f s ALA 50 CO 0.05 0.14 1.12 0.00 0.00 0.00 0.00 175.76 177.07 3k1f s ALA 51 N -2.30 2.85 -0.95 0.00 0.00 -1.26 -4.04 121.76 116.06 3k1f s ALA 51 Ca 0.36 0.81 -0.06 0.00 0.00 0.00 0.00 51.96 53.06 3k1f s ALA 51 Cb -0.06 -3.34 -0.03 0.00 0.00 0.00 0.00 23.12 19.69 3k1f s ALA 51 CO 0.24 -0.60 0.80 1.04 0.00 0.00 0.00 175.76 177.24 3k1f n GLN 52 N -0.86 -1.70 -4.66 0.00 1.13 -0.14 -4.97 117.38 106.19 3k1f n GLN 52 Ca 0.09 1.00 -0.26 0.00 -1.94 0.00 0.00 57.00 55.89 3k1f n GLN 52 Cb 0.50 -5.28 -0.17 0.00 0.11 0.00 0.00 30.24 25.40 3k1f n GLN 52 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3k1f s ASP 53 N -3.25 1.97 -0.41 1.08 1.11 -1.26 -4.90 116.67 111.01 3k1f s ASP 53 Ca 0.28 -0.34 -0.26 0.00 0.18 0.00 0.00 52.55 52.41 3k1f s ASP 53 Cb -0.06 -0.91 0.02 0.00 1.07 0.00 0.00 42.92 43.04 3k1f s ASP 53 CO 0.78 0.05 0.97 -0.94 1.18 0.00 0.00 175.17 177.20 3k1f s SER 54 N 0.65 6.64 -0.07 0.27 1.04 -1.26 -3.05 113.70 117.92 3k1f s SER 54 Ca -0.15 0.47 0.02 0.00 0.48 0.00 0.00 55.95 56.77 3k1f s SER 54 Cb -0.16 -2.48 0.01 0.00 0.10 0.00 0.00 66.02 63.49 3k1f s SER 54 CO 0.04 -0.98 -0.12 -0.76 0.98 0.00 0.00 173.24 172.40 3k1f s LEU 55 N 3.72 1.65 0.15 2.42 1.02 -0.45 -4.72 118.68 122.47 3k1f s LEU 55 Ca 0.40 -0.30 -0.30 0.00 0.02 0.00 0.00 54.13 53.95 3k1f s LEU 55 Cb -0.11 -0.83 -0.07 0.00 0.02 0.00 0.00 46.19 45.21 3k1f s LEU 55 CO 0.23 0.03 1.00 -0.89 0.02 0.00 0.00 176.35 176.74 3k1f s THR 56 N 0.67 4.24 -0.08 5.49 2.01 -0.30 -1.12 115.64 126.55 3k1f s THR 56 Ca -0.15 1.95 0.01 0.00 0.31 0.00 0.00 61.69 63.82 3k1f s THR 56 Cb -0.16 -4.24 0.02 0.00 0.01 0.00 0.00 72.50 68.13 3k1f s THR 56 CO 0.04 0.34 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.51 3k1f s VAL 57 N -0.28 1.09 -0.02 3.82 1.01 -0.34 -1.97 120.40 123.70 3k1f s VAL 57 Ca 0.47 -0.42 0.03 0.00 0.00 0.00 0.00 61.98 62.05 3k1f s VAL 57 Cb -0.25 -1.03 0.00 0.00 0.00 0.00 0.00 36.38 35.10 3k1f s VAL 57 CO 0.32 0.35 -0.10 -0.89 0.00 0.00 0.00 175.10 174.79 3k1f s THR 58 N 0.95 0.81 0.00 3.92 2.01 0.09 -2.78 115.64 120.65 3k1f s THR 58 Ca -0.09 -0.39 0.00 0.00 0.31 0.00 0.00 61.69 61.52 3k1f s THR 58 Cb -0.15 -0.72 0.00 0.00 0.01 0.00 0.00 72.50 71.64 3k1f s THR 58 CO 0.00 0.25 0.00 -0.38 -0.69 0.00 0.00 174.62 173.80 3k1f n ILE 59 N 3.22 0.00 -1.44 1.82 5.41 -1.10 -0.96 119.36 126.31 3k1f n ILE 59 Ca -0.18 0.00 0.11 0.00 1.00 0.00 0.00 62.75 63.69 3k1f n ILE 59 Cb 0.54 -0.36 -0.06 0.00 -0.71 0.00 0.00 39.64 39.05 3k1f n ILE 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3k1f n ALA 60 N -1.08 -3.08 -1.00 -1.39 0.00 -1.26 -3.56 120.51 109.13 3k1f n ALA 60 Ca 0.00 0.77 0.00 0.00 0.00 0.00 0.00 53.44 54.21 3k1f n ALA 60 Cb 0.00 -1.51 0.00 0.00 0.00 0.00 0.00 19.45 17.94 3k1f n ALA 60 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3k1f n SER 61 N -3.70 0.00 0.00 0.00 3.41 -1.04 -3.00 113.62 109.29 3k1f n SER 61 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 3k1f n SER 61 Cb 0.60 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 3k1f n SER 61 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3k1f n SER 62 N 0.00 0.00 0.00 4.04 2.88 -1.26 -3.85 113.62 115.42 3k1f n SER 62 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3k1f n SER 62 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3k1f n SER 62 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3k1f n LEU 63 N 0.00 0.08 -0.24 2.46 4.32 -1.26 -4.22 117.00 118.15 3k1f n LEU 63 Ca 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 56.01 55.95 3k1f n LEU 63 Cb 0.00 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 41.78 3k1f n LEU 63 CO 0.00 0.01 0.31 0.59 -1.22 0.00 0.00 177.39 177.08 3k1f n ASN 64 N -0.99 -0.52 -3.67 -1.43 3.02 -1.13 -3.43 115.26 107.11 3k1f n ASN 64 Ca 0.00 1.03 -0.12 0.00 -0.03 0.00 0.00 54.58 55.46 3k1f n ASN 64 Cb 0.04 -0.18 -0.06 0.00 -0.61 0.00 0.00 39.78 38.97 3k1f n ASN 64 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3k1f s THR 76 N -5.40 0.06 0.93 3.41 -4.23 -1.26 -3.65 115.64 105.50 3k1f s THR 76 Ca -0.07 -0.50 -0.13 0.00 -1.18 0.00 0.00 61.69 59.81 3k1f s THR 76 Cb 0.09 -0.98 0.21 0.00 1.34 0.00 0.00 72.50 73.15 3k1f s THR 76 CO 0.39 -0.27 1.27 0.54 -0.54 0.00 0.00 174.62 176.00 3k1f n ARG 77 N 0.41 -1.04 -1.54 3.99 1.74 -1.26 -4.91 116.66 114.05 3k1f n ARG 77 Ca -0.18 -2.23 -0.27 0.00 -0.77 0.00 0.00 57.85 54.40 3k1f n ARG 77 Cb 0.60 -1.22 -0.07 0.00 -1.02 0.00 0.00 32.46 30.75 3k1f n ARG 77 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3k1f n SER 78 N -3.65 1.61 -3.54 0.55 2.88 -1.26 -4.82 113.62 105.40 3k1f n SER 78 Ca 0.17 -0.79 -0.46 0.00 -1.33 0.00 0.00 58.87 56.45 3k1f n SER 78 Cb 0.59 -1.46 -0.06 0.00 -0.75 0.00 0.00 64.21 62.53 3k1f n SER 78 CO 0.00 0.00 0.00 1.87 -1.23 0.00 0.00 175.04 175.68 3k1f n TRP 79 N 15.53 0.53 -4.21 0.66 -0.00 -1.26 -5.00 117.44 123.69 3k1f n TRP 79 Ca 0.46 0.83 -0.28 0.00 -0.00 0.00 0.00 57.50 58.52 3k1f n TRP 79 Cb 0.42 -1.64 -0.08 0.00 -0.00 0.00 0.00 31.31 30.00 3k1f n TRP 79 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 177.69 178.72 3k1f s ARG 80 N 0.07 2.32 0.96 5.87 0.52 -1.26 -5.13 118.95 122.30 3k1f s ARG 80 Ca 0.72 -1.08 -0.12 0.00 -0.52 0.00 0.00 55.73 54.73 3k1f s ARG 80 Cb -1.00 -2.34 0.10 0.00 0.52 0.00 0.00 34.95 32.23 3k1f s ARG 80 CO 0.45 0.47 0.72 -2.30 0.02 0.00 0.00 175.30 174.67 3k1f n PRO 81 N 0.16 -0.59 -0.10 3.54 -0.02 -1.26 -4.92 135.00 131.81 3k1f n PRO 81 Ca -0.11 -0.12 -0.06 0.00 -2.02 0.00 0.00 63.50 61.19 3k1f n PRO 81 Cb 0.54 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 3k1f n PRO 81 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3k1f h PRO 82 N -1.81 -0.15 -4.38 0.52 0.13 -2.06 -3.46 132.00 120.78 3k1f h PRO 82 Ca -0.45 0.01 -0.40 0.00 -0.87 0.00 0.00 66.00 64.29 3k1f h PRO 82 Cb 1.28 0.03 0.03 0.00 0.13 0.00 0.00 31.00 32.48 3k1f h PRO 82 CO 0.38 -0.10 -0.58 1.04 -0.23 0.00 0.00 178.00 178.51 3k1f n GLN 83 N -5.38 -4.13 -1.04 0.86 6.02 -1.26 -4.97 117.38 107.48 3k1f n GLN 83 Ca 0.02 0.85 -0.36 0.00 -0.01 0.00 0.00 57.00 57.50 3k1f n GLN 83 Cb 0.29 -5.66 0.05 0.00 1.02 0.00 0.00 30.24 25.94 3k1f n GLN 83 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3k1f n ALA 84 N -3.28 -4.32 0.00 -1.58 0.00 -1.26 -4.88 120.51 105.19 3k1f n ALA 84 Ca -0.12 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.79 3k1f n ALA 84 Cb 0.62 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.73 3k1f n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k1f n GLY 85 N 2.88 -0.88 3.12 0.00 0.00 -1.26 -5.02 105.19 104.03 3k1f n GLY 85 Ca 0.02 0.41 0.04 0.00 0.00 0.00 0.00 46.02 46.49 3k1f n GLY 85 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3k1f s ASP 86 N 0.00 -1.18 0.14 1.61 -1.08 -1.26 -5.18 116.67 109.72 3k1f s ASP 86 Ca 0.00 -0.09 0.11 0.00 -0.52 0.00 0.00 52.55 52.05 3k1f s ASP 86 Cb 0.00 1.66 -0.04 0.00 -1.46 0.00 0.00 42.92 43.08 3k1f s ASP 86 CO 0.00 -0.19 -0.23 -0.13 0.52 0.00 0.00 175.17 175.14 3k1f s ARG 87 N 2.56 1.55 -1.43 4.34 1.81 -1.26 -5.06 118.95 121.46 3k1f s ARG 87 Ca 0.16 -1.35 -0.12 0.00 -1.72 0.00 0.00 55.73 52.70 3k1f s ARG 87 Cb -0.05 -1.95 0.06 0.00 -0.45 0.00 0.00 34.95 32.56 3k1f s ARG 87 CO -0.20 0.45 2.20 0.45 -0.68 0.00 0.00 175.30 177.51 3k1f n SER 88 N 0.70 4.56 -4.57 0.23 2.88 -1.26 -4.96 113.62 111.19 3k1f n SER 88 Ca -0.16 -2.89 -0.27 0.00 -1.33 0.00 0.00 58.87 54.22 3k1f n SER 88 Cb 0.54 -1.60 -0.09 0.00 -0.75 0.00 0.00 64.21 62.30 3k1f n SER 88 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3k1f s LEU 89 N 1.43 2.99 -0.30 2.46 1.02 -1.26 -2.85 118.68 122.18 3k1f s LEU 89 Ca 0.47 -0.56 0.04 0.00 0.02 0.00 0.00 54.13 54.10 3k1f s LEU 89 Cb 0.13 -1.68 0.49 0.00 0.02 0.00 0.00 46.19 45.15 3k1f s LEU 89 CO -0.07 0.11 1.61 0.00 0.02 0.00 0.00 176.35 178.02 3k1f n ALA 90 N 0.07 4.51 0.27 4.21 0.00 -1.22 -4.65 120.51 123.71 3k1f n ALA 90 Ca -0.11 -1.94 0.03 0.00 0.00 0.00 0.00 53.44 51.42 3k1f n ALA 90 Cb 0.55 -1.28 0.16 0.00 0.00 0.00 0.00 19.45 18.88 3k1f n ALA 90 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3k1f n ASP 91 N -0.49 0.00 -0.95 0.00 5.75 -1.26 -4.29 116.55 115.30 3k1f n ASP 91 Ca 0.39 0.39 0.00 0.00 -0.01 0.00 0.00 54.79 55.56 3k1f n ASP 91 Cb 1.27 -0.43 0.00 0.00 -1.03 0.00 0.00 41.12 40.93 3k1f n ASP 91 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3k1f n ASP 92 N -1.43 0.61 -4.19 -1.12 8.00 -1.26 -4.64 116.55 112.52 3k1f n ASP 92 Ca 0.02 -0.43 -0.17 0.00 0.71 0.00 0.00 54.79 54.92 3k1f n ASP 92 Cb 0.07 -0.11 -0.11 0.00 -0.02 0.00 0.00 41.12 40.95 3k1f n ASP 92 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3k1f s TYR 93 N 0.62 1.23 0.10 1.24 1.51 -1.26 -4.95 117.35 115.84 3k1f s TYR 93 Ca 0.00 -0.52 -0.13 0.00 -1.01 0.00 0.00 57.07 55.41 3k1f s TYR 93 Cb 0.00 -0.68 -0.15 0.00 -0.11 0.00 0.00 41.96 41.02 3k1f s TYR 93 CO 0.00 0.07 1.31 -0.44 -1.11 0.00 0.00 175.55 175.38 3k1f h ASP 94 N 3.95 0.92 -3.32 2.29 3.45 -1.37 -3.44 116.42 118.90 3k1f h ASP 94 Ca -0.40 -0.62 -0.66 0.00 0.43 0.00 0.00 57.03 55.78 3k1f h ASP 94 Cb 1.19 -0.27 -0.29 0.00 -0.56 0.00 0.00 39.33 39.40 3k1f h ASP 94 CO 0.45 1.39 -0.75 -0.47 -1.57 0.00 0.00 179.24 178.29 3k1f s TYR 95 N -3.78 2.91 -0.11 4.55 5.04 0.74 -4.98 117.35 121.71 3k1f s TYR 95 Ca -0.11 -1.04 0.03 0.00 -2.44 0.00 0.00 57.07 53.51 3k1f s TYR 95 Cb 0.08 -2.04 -0.00 0.00 0.35 0.00 0.00 41.96 40.35 3k1f s TYR 95 CO 0.90 -0.56 -0.21 0.08 -1.34 0.00 0.00 175.55 174.42 3k1f s VAL 96 N 1.31 2.31 0.02 3.14 1.01 -1.26 -1.02 120.40 125.91 3k1f s VAL 96 Ca 0.04 -0.93 -0.00 0.00 0.00 0.00 0.00 61.98 61.09 3k1f s VAL 96 Cb -0.14 -1.91 -0.02 0.00 0.00 0.00 0.00 36.38 34.31 3k1f s VAL 96 CO -0.04 0.55 -0.03 -0.04 0.00 0.00 0.00 175.10 175.54 3k1f s MET 97 N 0.39 0.35 -0.10 2.72 -1.94 -0.16 -5.02 119.30 115.54 3k1f s MET 97 Ca -0.16 -0.68 0.03 0.00 -1.71 0.00 0.00 55.69 53.17 3k1f s MET 97 Cb -0.17 0.11 0.01 0.00 2.01 0.00 0.00 34.83 36.78 3k1f s MET 97 CO 0.07 -0.05 -0.18 -0.47 -0.01 0.00 0.00 175.02 174.38 3k1f s TYR 98 N -1.70 2.12 0.10 -0.03 5.04 -1.26 -1.06 117.35 120.57 3k1f s TYR 98 Ca -0.13 -0.95 0.00 0.00 -2.44 0.00 0.00 57.07 53.55 3k1f s TYR 98 Cb -0.08 -1.49 -0.00 0.00 0.35 0.00 0.00 41.96 40.74 3k1f s TYR 98 CO -0.02 -0.44 0.13 0.41 -1.34 0.00 0.00 175.55 174.28 3k1f n GLY 99 N 3.94 3.14 3.01 8.97 0.00 -0.48 -4.28 105.19 119.48 3k1f n GLY 99 Ca -0.20 -1.55 -0.22 0.00 0.00 0.00 0.00 46.02 44.05 3k1f n GLY 99 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k1f s THR 100 N -2.50 0.94 -0.07 2.61 2.01 -0.33 -3.33 115.64 114.97 3k1f s THR 100 Ca 0.10 -0.41 -0.30 0.00 0.31 0.00 0.00 61.69 61.39 3k1f s THR 100 Cb 0.00 -0.85 -0.03 0.00 0.01 0.00 0.00 72.50 71.64 3k1f s THR 100 CO 0.07 0.30 1.13 0.00 -0.69 0.00 0.00 174.62 175.43 3k1f s ALA 101 N 0.38 3.46 -0.04 7.40 0.00 -1.24 -0.98 121.76 130.74 3k1f s ALA 101 Ca -0.07 0.54 -0.01 0.00 0.00 0.00 0.00 51.96 52.41 3k1f s ALA 101 Cb -0.12 -3.49 -0.02 0.00 0.00 0.00 0.00 23.12 19.50 3k1f s ALA 101 CO 0.02 -0.70 -0.04 2.48 0.00 0.00 0.00 175.76 177.51 3k1f n TYR 102 N 5.11 0.00 -5.24 0.00 0.18 -0.27 -4.74 117.16 112.19 3k1f n TYR 102 Ca 0.10 0.00 -0.31 0.00 1.88 0.00 0.00 57.90 59.57 3k1f n TYR 102 Cb 0.47 -0.14 -0.16 0.00 -0.38 0.00 0.00 39.34 39.14 3k1f n TYR 102 CO 0.00 0.00 0.00 0.21 -2.08 0.00 0.00 176.86 174.99 3k1f s LYS 103 N -2.07 2.26 -0.62 -3.48 2.20 -1.24 -5.02 119.74 111.77 3k1f s LYS 103 Ca -0.05 -0.89 0.05 0.00 -0.36 0.00 0.00 55.97 54.72 3k1f s LYS 103 Cb 0.02 -2.11 0.19 0.00 -1.51 0.00 0.00 37.83 34.41 3k1f s LYS 103 CO 0.07 0.53 0.50 1.19 -0.36 0.00 0.00 175.35 177.28 3k1f n PHE 104 N 2.54 2.23 -1.47 4.03 3.01 -1.26 -1.13 117.46 125.41 3k1f n PHE 104 Ca -0.16 -4.04 -0.29 0.00 1.01 0.00 0.00 57.45 53.96 3k1f n PHE 104 Cb 0.51 -0.41 0.12 0.00 -0.01 0.00 0.00 39.48 39.69 3k1f n PHE 104 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 3k1f s GLU 105 N -1.28 1.51 -0.42 -1.08 2.12 0.01 -4.86 118.70 114.69 3k1f s GLU 105 Ca 0.29 0.54 0.10 0.00 0.36 0.00 0.00 54.97 56.26 3k1f s GLU 105 Cb 0.02 -1.86 0.34 0.00 0.26 0.00 0.00 34.13 32.89 3k1f s GLU 105 CO -0.15 -2.00 0.78 -1.91 -0.54 0.00 0.00 175.26 171.44 3k1f n GLU 106 N -3.67 1.54 -1.64 4.30 2.13 -1.26 -0.85 120.64 121.18 3k1f n GLU 106 Ca 0.07 -3.75 -0.19 0.00 0.66 0.00 0.00 57.16 53.95 3k1f n GLU 106 Cb 0.57 -1.83 -0.06 0.00 0.27 0.00 0.00 31.44 30.39 3k1f n GLU 106 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 3k1f s VAL 107 N -2.90 3.07 0.16 6.31 -7.23 -1.12 -4.82 120.40 113.86 3k1f s VAL 107 Ca 0.42 -0.04 0.00 0.00 -1.81 0.00 0.00 61.98 60.55 3k1f s VAL 107 Cb 0.33 -3.16 0.00 0.00 0.56 0.00 0.00 36.38 34.11 3k1f s VAL 107 CO -0.09 -0.15 0.00 -0.24 -0.31 0.00 0.00 175.10 174.30 3k1f n SER 108 N 17.59 -4.70 0.00 4.85 2.88 -1.26 -4.39 113.62 128.59 3k1f n SER 108 Ca 0.44 0.77 0.00 0.00 -1.33 0.00 0.00 58.87 58.74 3k1f n SER 108 Cb 0.46 -2.34 0.00 0.00 -0.75 0.00 0.00 64.21 61.57 3k1f n SER 108 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 3k1f n LYS 109 N -2.43 0.00 0.00 -1.46 4.81 -1.26 -0.69 118.16 117.13 3k1f n LYS 109 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3k1f n LYS 109 Cb 0.32 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.37 3k1f n LYS 109 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 3k1f n ASP 110 N 1.08 0.00 -4.54 3.14 5.75 -1.26 -5.16 116.55 115.57 3k1f n ASP 110 Ca 0.00 -0.16 -0.45 0.00 -0.01 0.00 0.00 54.79 54.17 3k1f n ASP 110 Cb 0.00 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.08 3k1f n ASP 110 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3k1f n LEU 111 N 0.00 1.01 -4.41 -2.12 4.77 0.13 -4.96 117.00 111.42 3k1f n LEU 111 Ca 0.00 1.12 -0.31 0.00 -0.03 0.00 0.00 56.01 56.80 3k1f n LEU 111 Cb 0.04 -1.20 -0.14 0.00 -2.33 0.00 0.00 43.42 39.79 3k1f n LEU 111 CO 0.00 -1.92 -0.52 -0.51 -1.33 0.00 0.00 177.39 173.11 3k1f s ILE 112 N -1.12 2.54 -0.24 -0.08 1.10 -1.26 -2.81 121.20 119.32 3k1f s ILE 112 Ca 0.61 -1.23 0.01 0.00 -0.51 0.00 0.00 60.65 59.53 3k1f s ILE 112 Cb -0.72 -2.03 0.06 0.00 0.15 0.00 0.00 42.46 39.92 3k1f s ILE 112 CO 0.59 0.37 -0.07 0.00 -2.11 0.00 0.00 174.94 173.72 3k1f s ALA 113 N -0.86 2.13 0.08 1.50 0.00 -0.03 -3.33 121.76 121.25 3k1f s ALA 113 Ca 0.13 -1.46 -0.19 0.00 0.00 0.00 0.00 51.96 50.44 3k1f s ALA 113 Cb -0.10 -1.47 -0.07 0.00 0.00 0.00 0.00 23.12 21.48 3k1f s ALA 113 CO 0.04 -1.19 0.56 0.14 0.00 0.00 0.00 175.76 175.31 3k1f s VAL 114 N 1.32 4.75 -0.15 0.00 -7.23 -1.14 -0.81 120.40 117.14 3k1f s VAL 114 Ca -0.07 1.19 0.02 0.00 -1.81 0.00 0.00 61.98 61.31 3k1f s VAL 114 Cb -0.19 -3.88 0.01 0.00 0.56 0.00 0.00 36.38 32.88 3k1f s VAL 114 CO -0.06 0.54 -0.21 -0.31 -0.31 0.00 0.00 175.10 174.75 3k1f s TYR 115 N -1.13 2.71 0.04 2.82 1.51 -0.28 -1.50 117.35 121.52 3k1f s TYR 115 Ca 0.29 -1.40 0.09 0.00 -1.01 0.00 0.00 57.07 55.04 3k1f s TYR 115 Cb -0.19 -1.85 -0.03 0.00 -0.11 0.00 0.00 41.96 39.78 3k1f s TYR 115 CO 0.19 -0.66 -0.25 0.71 -1.11 0.00 0.00 175.55 174.43 3k1f s TYR 116 N 0.94 2.35 -0.16 2.71 1.51 -0.12 -1.12 117.35 123.47 3k1f s TYR 116 Ca -0.04 -0.39 -0.02 0.00 -1.01 0.00 0.00 57.07 55.61 3k1f s TYR 116 Cb -0.15 -1.41 0.05 0.00 -0.11 0.00 0.00 41.96 40.34 3k1f s TYR 116 CO -0.05 0.13 0.01 0.45 -1.11 0.00 0.00 175.55 174.99 3k1f s SER 117 N -1.23 2.56 -1.16 2.29 0.15 -0.15 -0.42 113.70 115.74 3k1f s SER 117 Ca 0.12 -0.60 -0.13 0.00 0.70 0.00 0.00 55.95 56.04 3k1f s SER 117 Cb -0.10 -0.62 0.20 0.00 -1.71 0.00 0.00 66.02 63.78 3k1f s SER 117 CO 0.02 -0.25 1.32 -0.36 1.20 0.00 0.00 173.24 175.17 3k1f s PHE 118 N 1.84 3.68 0.00 3.44 0.40 0.51 -1.19 117.98 126.66 3k1f s PHE 118 Ca 0.01 -2.22 0.00 0.00 -0.60 0.00 0.00 56.93 54.11 3k1f s PHE 118 Cb -0.15 -4.18 0.00 0.00 0.51 0.00 0.00 43.02 39.19 3k1f s PHE 118 CO -0.07 -1.28 0.00 0.41 0.70 0.00 0.00 175.22 174.98 3k1f n GLY 119 N 3.84 0.33 0.00 4.36 0.00 -1.26 -1.29 105.19 111.18 3k1f n GLY 119 Ca 0.32 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.34 3k1f n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k1f n GLY 120 N 0.00 0.00 3.78 -0.02 0.00 -1.26 -5.11 105.19 102.58 3k1f n GLY 120 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3k1f n GLY 120 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k1f s LEU 121 N -1.94 4.22 0.17 0.99 1.43 -0.41 -5.08 118.68 118.05 3k1f s LEU 121 Ca 0.00 1.92 0.08 0.00 -1.03 0.00 0.00 54.13 55.10 3k1f s LEU 121 Cb 0.00 -4.14 -0.04 0.00 0.03 0.00 0.00 46.19 42.04 3k1f s LEU 121 CO 0.00 -0.28 -0.06 -0.76 0.23 0.00 0.00 176.35 175.48 3k1f s LEU 122 N -2.41 3.11 -0.05 1.79 1.43 -1.26 -0.36 118.68 120.92 3k1f s LEU 122 Ca 0.55 -0.48 -0.11 0.00 -1.03 0.00 0.00 54.13 53.05 3k1f s LEU 122 Cb -0.19 -1.80 0.02 0.00 0.03 0.00 0.00 46.19 44.25 3k1f s LEU 122 CO 0.25 0.11 0.26 -0.32 0.23 0.00 0.00 176.35 176.88 3k1f s MET 123 N -2.78 0.47 -0.02 1.70 1.75 0.44 -1.49 119.30 119.36 3k1f s MET 123 Ca 0.25 0.05 0.01 0.00 -1.25 0.00 0.00 55.69 54.75 3k1f s MET 123 Cb -0.09 0.21 0.02 0.00 2.84 0.00 0.00 34.83 37.81 3k1f s MET 123 CO 0.16 -0.10 -0.01 0.50 -0.65 0.00 0.00 175.02 174.92 3k1f s ARG 124 N -0.63 0.23 0.32 4.11 3.00 -0.27 -0.94 118.95 124.77 3k1f s ARG 124 Ca -0.07 0.02 0.03 0.00 -1.00 0.00 0.00 55.73 54.71 3k1f s ARG 124 Cb -0.04 -0.34 -0.05 0.00 0.00 0.00 0.00 34.95 34.51 3k1f s ARG 124 CO 0.02 -0.06 0.09 -1.17 0.00 0.00 0.00 175.30 174.17 3k1f s LEU 125 N 0.59 1.96 0.15 -0.88 2.96 -0.56 -1.36 118.68 121.54 3k1f s LEU 125 Ca -0.06 -1.44 -0.17 0.00 -0.22 0.00 0.00 54.13 52.25 3k1f s LEU 125 Cb -0.08 -0.19 0.03 0.00 0.50 0.00 0.00 46.19 46.45 3k1f s LEU 125 CO -0.01 -0.71 0.45 -1.61 -1.32 0.00 0.00 176.35 173.15 3k1f s GLU 126 N -3.90 1.20 0.00 1.98 2.02 -1.19 -2.89 118.70 115.91 3k1f s GLU 126 Ca 0.35 -0.76 0.00 0.00 0.02 0.00 0.00 54.97 54.57 3k1f s GLU 126 Cb 0.07 0.49 0.00 0.00 0.10 0.00 0.00 34.13 34.80 3k1f s GLU 126 CO 0.15 -0.49 0.00 0.41 0.02 0.00 0.00 175.26 175.35 3k1f n GLY 127 N -0.28 -1.53 0.00 -1.39 0.00 -1.21 -4.36 105.19 96.43 3k1f n GLY 127 Ca -0.14 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.50 3k1f n GLY 127 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3k1f n ASN 128 N 0.00 0.00 0.00 1.61 2.85 -1.26 -4.57 115.26 113.89 3k1f n ASN 128 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 3k1f n ASN 128 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 3k1f n ASN 128 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3k1f n TYR 129 N 0.00 0.00 -0.59 1.20 0.18 -1.26 -4.89 117.16 111.80 3k1f n TYR 129 Ca 0.00 0.00 -0.06 0.00 1.88 0.00 0.00 57.90 59.72 3k1f n TYR 129 Cb 0.00 0.00 0.23 0.00 -0.38 0.00 0.00 39.34 39.19 3k1f n TYR 129 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 3k1f n ARG 130 N -0.18 3.06 0.24 -3.48 3.00 -1.26 -4.40 116.66 113.64 3k1f n ARG 130 Ca 0.00 -2.40 0.07 0.00 -0.01 0.00 0.00 57.85 55.51 3k1f n ARG 130 Cb 0.00 -2.01 0.57 0.00 0.00 0.00 0.00 32.46 31.02 3k1f n ARG 130 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.63 176.72 3k1f h ASN 131 N 2.00 0.00 0.09 0.55 2.35 -1.90 0.42 115.58 119.09 3k1f h ASN 131 Ca 0.24 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.77 3k1f h ASN 131 Cb 2.04 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 40.41 3k1f h ASN 131 CO 0.61 0.14 -1.07 -0.07 -1.65 0.00 0.00 177.43 175.39 3k1f h LEU 132 N 0.00 0.30 0.58 1.61 4.07 -2.01 -3.41 115.31 116.44 3k1f h LEU 132 Ca -0.00 -0.85 -0.03 0.00 0.08 0.00 0.00 57.88 57.08 3k1f h LEU 132 Cb 0.26 -0.10 0.01 0.00 1.08 0.00 0.00 40.66 41.91 3k1f h LEU 132 CO 0.02 1.47 -0.28 0.78 -1.08 0.00 0.00 178.44 179.35 3k1f h ASN 133 N -0.50 -0.65 -2.53 -0.43 2.35 -1.74 -3.44 115.58 108.63 3k1f h ASN 133 Ca -0.23 0.02 -0.57 0.00 -0.55 0.00 0.00 56.30 54.97 3k1f h ASN 133 Cb 1.57 0.17 -0.02 0.00 0.05 0.00 0.00 38.32 40.10 3k1f h ASN 133 CO 0.04 -0.25 1.26 0.20 -1.65 0.00 0.00 177.43 177.02 3k1f s ASN 134 N -4.64 6.07 0.22 5.81 0.01 0.14 -4.93 114.94 117.62 3k1f s ASN 134 Ca -0.11 1.72 0.04 0.00 -0.71 0.00 0.00 52.86 53.80 3k1f s ASN 134 Cb 0.01 -2.53 -0.03 0.00 0.41 0.00 0.00 41.25 39.11 3k1f s ASN 134 CO 0.34 -1.50 0.34 -0.76 -1.51 0.00 0.00 177.10 174.01 3k1f s LEU 135 N 6.20 4.31 -0.00 0.60 1.02 -1.26 -4.84 118.68 124.71 3k1f s LEU 135 Ca 0.82 0.09 0.00 0.00 0.02 0.00 0.00 54.13 55.06 3k1f s LEU 135 Cb -0.28 -2.86 0.00 0.00 0.02 0.00 0.00 46.19 43.07 3k1f s LEU 135 CO 0.33 -0.04 0.67 0.29 0.02 0.00 0.00 176.35 177.62 3k1f n LYS 136 N -1.19 1.01 -3.60 1.70 5.02 -1.26 -4.90 118.16 114.96 3k1f n LYS 136 Ca -0.08 -0.01 -0.20 0.00 -2.02 0.00 0.00 58.31 56.00 3k1f n LYS 136 Cb 0.56 -1.34 -0.01 0.00 -0.02 0.00 0.00 35.03 34.22 3k1f n LYS 136 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 3k1f s GLN 137 N -1.33 3.11 0.00 1.97 -2.07 -1.26 -4.94 119.66 115.14 3k1f s GLN 137 Ca 0.00 -1.01 0.00 0.00 -1.82 0.00 0.00 55.36 52.53 3k1f s GLN 137 Cb 0.00 -2.78 0.00 0.00 -1.09 0.00 0.00 33.01 29.14 3k1f s GLN 137 CO 0.00 0.13 0.79 -1.91 -1.32 0.00 0.00 175.29 172.97 3k1f n GLU 138 N -1.57 0.00 -0.16 9.60 0.00 -1.26 -3.83 120.64 123.43 3k1f n GLU 138 Ca -0.02 0.38 -0.08 0.00 0.00 0.00 0.00 57.16 57.45 3k1f n GLU 138 Cb 0.58 -1.29 -0.02 0.00 0.00 0.00 0.00 31.44 30.72 3k1f n GLU 138 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 3k1f n ASN 139 N -1.51 0.09 -3.30 4.31 5.15 -1.26 -3.64 115.26 115.11 3k1f n ASN 139 Ca 0.00 0.09 -0.10 0.00 -0.60 0.00 0.00 54.58 53.97 3k1f n ASN 139 Cb 0.00 -0.12 -0.05 0.00 -0.53 0.00 0.00 39.78 39.08 3k1f n ASN 139 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3k1f s ALA 140 N 0.78 -1.18 -1.22 5.20 0.00 -1.21 -4.78 121.76 119.35 3k1f s ALA 140 Ca 0.15 -0.52 -0.07 0.00 0.00 0.00 0.00 51.96 51.52 3k1f s ALA 140 Cb -0.19 -2.32 0.21 0.00 0.00 0.00 0.00 23.12 20.82 3k1f s ALA 140 CO 0.08 -2.17 1.79 0.66 0.00 0.00 0.00 175.76 176.12 3k1f n TYR 141 N 4.32 2.69 -1.68 0.00 4.02 -1.16 -1.39 117.16 123.95 3k1f n TYR 141 Ca 0.11 -2.71 -0.42 0.00 -0.01 0.00 0.00 57.90 54.86 3k1f n TYR 141 Cb 0.50 -1.72 -0.03 0.00 -0.02 0.00 0.00 39.34 38.07 3k1f n TYR 141 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 176.86 175.74 3k1f n LEU 142 N 2.91 4.11 -4.25 7.72 7.94 -0.22 -4.66 117.00 130.56 3k1f n LEU 142 Ca 0.37 0.95 -0.31 0.00 -1.11 0.00 0.00 56.01 55.91 3k1f n LEU 142 Cb 0.35 -1.54 -0.16 0.00 0.53 0.00 0.00 43.42 42.59 3k1f n LEU 142 CO 0.78 0.19 -0.56 -0.76 -1.11 0.00 0.00 177.39 175.94 3k1f s LEU 143 N 3.44 2.05 -0.05 -1.96 1.43 -0.13 -0.99 118.68 122.47 3k1f s LEU 143 Ca 0.85 -0.49 0.01 0.00 -1.03 0.00 0.00 54.13 53.46 3k1f s LEU 143 Cb -0.46 -1.32 0.02 0.00 0.03 0.00 0.00 46.19 44.46 3k1f s LEU 143 CO 0.39 0.23 -0.05 -0.63 0.23 0.00 0.00 176.35 176.53 3k1f s ILE 144 N -0.13 0.59 0.05 -0.59 1.09 -0.19 -0.73 121.20 121.29 3k1f s ILE 144 Ca -0.04 -0.14 0.05 0.00 -1.10 0.00 0.00 60.65 59.43 3k1f s ILE 144 Cb -0.14 -0.61 -0.02 0.00 -1.06 0.00 0.00 42.46 40.63 3k1f s ILE 144 CO 0.04 0.24 -0.15 0.00 -0.10 0.00 0.00 174.94 174.97 3k1f s ARG 145 N 1.00 0.93 0.00 2.79 1.70 -0.83 -0.18 118.95 124.36 3k1f s ARG 145 Ca -0.10 -0.85 0.00 0.00 -0.47 0.00 0.00 55.73 54.31 3k1f s ARG 145 Cb -0.14 -0.96 0.00 0.00 -0.57 0.00 0.00 34.95 33.27 3k1f s ARG 145 CO -0.00 0.23 0.00 0.54 -1.08 0.00 0.00 175.30 174.99