#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k1f n ASN 2 N 0.00 0.00 -4.72 6.12 2.85 -1.26 -5.09 115.26 113.16 3k1f n ASN 2 Ca 0.00 -0.81 -0.42 0.00 -0.11 0.00 0.00 54.58 53.24 3k1f n ASN 2 Cb 0.00 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 40.99 3k1f n ASN 2 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3k1f s ALA 3 N 0.00 3.33 0.88 5.20 0.00 -1.26 -5.05 121.76 124.86 3k1f s ALA 3 Ca 0.00 0.76 -0.13 0.00 0.00 0.00 0.00 51.96 52.59 3k1f s ALA 3 Cb 0.00 -3.40 0.13 0.00 0.00 0.00 0.00 23.12 19.85 3k1f s ALA 3 CO 0.00 -0.34 1.19 -1.25 0.00 0.00 0.00 175.76 175.36 3k1f s PRO 4 N 0.78 1.34 0.16 0.00 0.04 -1.26 -5.00 135.00 131.06 3k1f s PRO 4 Ca 0.55 0.07 -0.31 0.00 0.04 0.00 0.00 61.00 61.35 3k1f s PRO 4 Cb -0.27 -1.88 -0.10 0.00 0.04 0.00 0.00 34.50 32.29 3k1f s PRO 4 CO 0.30 -2.02 1.51 -0.51 0.04 0.00 0.00 177.00 176.32 3k1f s ASP 5 N -4.43 6.65 0.31 6.66 1.01 -1.26 -4.94 116.67 120.68 3k1f s ASP 5 Ca 0.65 2.55 0.05 0.00 0.71 0.00 0.00 52.55 56.52 3k1f s ASP 5 Cb -0.11 -2.59 0.70 0.00 1.01 0.00 0.00 42.92 41.93 3k1f s ASP 5 CO 0.51 -0.77 1.82 0.03 0.21 0.00 0.00 175.17 176.98 3k1f h ARG 6 N 6.62 0.80 -0.19 8.23 2.47 -2.04 -1.04 114.38 129.22 3k1f h ARG 6 Ca -0.43 -0.05 0.05 0.00 -1.26 0.00 0.00 59.98 58.30 3k1f h ARG 6 Cb 1.21 -0.18 -0.01 0.00 -1.65 0.00 0.00 29.97 29.34 3k1f h ARG 6 CO 0.89 0.53 0.24 0.27 0.56 0.00 0.00 179.97 182.46 3k1f h PHE 7 N 0.82 0.00 0.00 3.04 -5.15 -1.96 -1.95 116.94 111.75 3k1f h PHE 7 Ca 0.51 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.28 3k1f h PHE 7 Cb 0.72 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.89 3k1f h PHE 7 CO -0.00 0.00 0.00 0.39 -2.00 0.00 0.00 178.31 176.70 3k1f n GLU 8 N -3.64 0.56 0.08 6.09 1.02 -0.40 -0.47 120.64 123.88 3k1f n GLU 8 Ca 0.02 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.27 3k1f n GLU 8 Cb 0.36 -1.09 -0.03 0.00 -0.02 0.00 0.00 31.44 30.65 3k1f n GLU 8 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3k1f n LEU 9 N -0.59 0.68 0.00 -4.62 4.77 -0.73 -4.68 117.00 111.83 3k1f n LEU 9 Ca 0.02 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 3k1f n LEU 9 Cb 0.01 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 3k1f n LEU 9 CO 0.02 -0.15 0.00 2.22 -1.33 0.00 0.00 177.39 178.15 3k1f n PHE 10 N -2.59 -0.03 -2.12 -1.77 1.16 -0.95 -4.39 117.46 106.77 3k1f n PHE 10 Ca -0.01 0.00 -0.40 0.00 -1.87 0.00 0.00 57.45 55.18 3k1f n PHE 10 Cb 0.55 0.06 -0.03 0.00 -1.61 0.00 0.00 39.48 38.45 3k1f n PHE 10 CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 3k1f s LEU 11 N -3.24 3.31 -0.31 5.98 0.20 0.38 -4.86 118.68 120.14 3k1f s LEU 11 Ca 0.00 0.36 -0.27 0.00 0.69 0.00 0.00 54.13 54.91 3k1f s LEU 11 Cb 0.00 -2.70 -0.05 0.00 -0.43 0.00 0.00 46.19 43.01 3k1f s LEU 11 CO 0.00 -2.18 2.23 -0.22 -0.29 0.00 0.00 176.35 175.89 3k1f s LEU 12 N 8.18 3.43 0.63 -0.68 2.96 -1.26 -4.56 118.68 127.38 3k1f s LEU 12 Ca 0.64 1.58 -0.17 0.00 -0.22 0.00 0.00 54.13 55.96 3k1f s LEU 12 Cb -0.13 -3.22 -0.01 0.00 0.50 0.00 0.00 46.19 43.33 3k1f s LEU 12 CO 0.22 -2.21 1.16 -0.83 -1.32 0.00 0.00 176.35 173.37 3k1f s GLY 13 N 9.19 2.45 0.27 7.98 0.00 -1.26 -4.96 107.32 121.00 3k1f s GLY 13 Ca 0.97 0.79 -0.28 0.00 0.00 0.00 0.00 44.72 46.20 3k1f s GLY 13 CO 0.32 1.17 0.99 -2.21 0.00 0.00 0.00 173.10 173.37 3k1f n GLU 14 N -2.02 1.25 -0.83 2.90 0.00 -1.26 -2.91 120.64 117.77 3k1f n GLU 14 Ca 0.12 0.44 0.00 0.00 0.00 0.00 0.00 57.16 57.72 3k1f n GLU 14 Cb 0.51 -1.80 0.00 0.00 0.00 0.00 0.00 31.44 30.15 3k1f n GLU 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3k1f n GLY 15 N 1.34 0.56 3.43 8.31 0.00 -1.26 -5.05 105.19 112.52 3k1f n GLY 15 Ca 0.11 -0.21 -0.22 0.00 0.00 0.00 0.00 46.02 45.70 3k1f n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k1f s GLU 16 N -0.51 1.56 -0.01 1.61 2.02 -1.15 -5.16 118.70 117.06 3k1f s GLU 16 Ca 0.00 -1.72 -0.01 0.00 0.02 0.00 0.00 54.97 53.27 3k1f s GLU 16 Cb 0.00 -1.51 0.01 0.00 0.10 0.00 0.00 34.13 32.73 3k1f s GLU 16 CO 0.00 0.25 0.02 -1.12 0.02 0.00 0.00 175.26 174.43 3k1f s SER 17 N -3.44 -0.01 0.41 -0.19 0.01 -1.26 -4.95 113.70 104.27 3k1f s SER 17 Ca 0.27 0.04 0.19 0.00 1.31 0.00 0.00 55.95 57.76 3k1f s SER 17 Cb -0.03 0.02 1.12 0.00 0.21 0.00 0.00 66.02 67.35 3k1f s SER 17 CO 0.12 -0.02 1.79 0.11 0.41 0.00 0.00 173.24 175.65 3k1f h LYS 18 N 6.29 0.37 -6.76 12.44 1.79 -1.91 -3.38 116.57 125.40 3k1f h LYS 18 Ca -0.27 -0.02 -0.66 0.00 -2.18 0.00 0.00 60.65 57.51 3k1f h LYS 18 Cb 1.20 -0.08 -0.22 0.00 -1.58 0.00 0.00 32.23 31.55 3k1f h LYS 18 CO 0.50 0.24 -0.86 -0.51 -1.08 0.00 0.00 179.45 177.74 3k1f s LEU 19 N -9.51 2.32 -0.39 2.94 1.43 -1.26 -2.27 118.68 111.94 3k1f s LEU 19 Ca -0.08 -0.74 0.05 0.00 -1.03 0.00 0.00 54.13 52.33 3k1f s LEU 19 Cb 0.24 -1.16 0.17 0.00 0.03 0.00 0.00 46.19 45.48 3k1f s LEU 19 CO 0.79 0.16 0.49 -0.75 0.23 0.00 0.00 176.35 177.27 3k1f s LYS 20 N -2.05 0.72 -0.01 1.70 2.36 -0.97 -4.97 119.74 116.50 3k1f s LYS 20 Ca 0.13 -0.57 -0.30 0.00 -2.55 0.00 0.00 55.97 52.68 3k1f s LYS 20 Cb -0.10 -0.35 -0.03 0.00 -1.05 0.00 0.00 37.83 36.30 3k1f s LYS 20 CO 0.06 -1.19 1.07 0.42 1.55 0.00 0.00 175.35 177.26 3k1f s ILE 21 N 1.65 4.55 0.04 5.43 1.09 -1.26 -1.07 121.20 131.62 3k1f s ILE 21 Ca 0.16 1.84 0.07 0.00 -1.10 0.00 0.00 60.65 61.62 3k1f s ILE 21 Cb -0.10 -4.18 -0.02 0.00 -1.06 0.00 0.00 42.46 37.10 3k1f s ILE 21 CO -0.06 0.09 -0.19 -1.81 -0.10 0.00 0.00 174.94 172.87 3k1f s ASP 22 N 1.11 2.32 0.47 3.58 1.01 -0.25 -5.00 116.67 119.91 3k1f s ASP 22 Ca 0.54 -0.49 -0.10 0.00 0.71 0.00 0.00 52.55 53.20 3k1f s ASP 22 Cb -0.23 -0.19 -0.06 0.00 1.01 0.00 0.00 42.92 43.45 3k1f s ASP 22 CO 0.25 0.15 0.85 -2.16 0.21 0.00 0.00 175.17 174.47 3k1f s PRO 23 N -1.10 3.72 -0.20 8.23 0.05 -1.26 -0.91 135.00 143.53 3k1f s PRO 23 Ca 0.06 0.53 -0.05 0.00 0.05 0.00 0.00 61.00 61.60 3k1f s PRO 23 Cb -0.08 -2.30 -0.02 0.00 0.05 0.00 0.00 34.50 32.15 3k1f s PRO 23 CO 0.01 -0.20 -0.01 0.34 0.05 0.00 0.00 177.00 177.19 3k1f s ASP 24 N -3.52 4.72 0.00 6.66 -1.08 -0.52 -4.68 116.67 118.25 3k1f s ASP 24 Ca 0.52 -0.23 -0.12 0.00 -0.52 0.00 0.00 52.55 52.21 3k1f s ASP 24 Cb -0.10 -1.80 -0.06 0.00 -1.46 0.00 0.00 42.92 39.49 3k1f s ASP 24 CO 0.38 0.06 0.83 0.71 0.52 0.00 0.00 175.17 177.67 3k1f h THR 25 N 5.42 0.00 -1.28 1.71 1.35 -1.98 -3.36 112.91 114.77 3k1f h THR 25 Ca -0.36 -0.16 0.41 0.00 -0.55 0.00 0.00 66.41 65.75 3k1f h THR 25 Cb 1.18 0.00 -0.12 0.00 -1.73 0.00 0.00 68.15 67.48 3k1f h THR 25 CO 0.61 0.00 0.83 0.11 -0.25 0.00 0.00 175.52 176.82 3k1f h LYS 26 N -0.57 0.13 -5.78 4.72 1.79 -1.98 -3.41 116.57 111.46 3k1f h LYS 26 Ca -0.04 -0.01 -0.53 0.00 -2.18 0.00 0.00 60.65 57.89 3k1f h LYS 26 Cb 0.32 -0.03 -0.26 0.00 -1.58 0.00 0.00 32.23 30.68 3k1f h LYS 26 CO 0.07 0.08 -0.82 0.00 -1.08 0.00 0.00 179.45 177.70 3k1f s ALA 27 N -5.31 1.53 0.17 3.86 0.00 -1.26 -5.14 121.76 115.60 3k1f s ALA 27 Ca -0.08 -0.95 -0.26 0.00 0.00 0.00 0.00 51.96 50.68 3k1f s ALA 27 Cb 0.29 -0.29 -0.08 0.00 0.00 0.00 0.00 23.12 23.04 3k1f s ALA 27 CO 0.82 0.33 0.79 -1.25 0.00 0.00 0.00 175.76 176.45 3k1f s PRO 28 N -1.10 4.59 -1.27 0.00 0.04 -1.26 -3.89 135.00 132.11 3k1f s PRO 28 Ca 0.05 1.19 -0.02 0.00 0.04 0.00 0.00 61.00 62.26 3k1f s PRO 28 Cb -0.08 -3.27 0.01 0.00 0.04 0.00 0.00 34.50 31.20 3k1f s PRO 28 CO 0.01 0.56 0.92 -1.71 0.04 0.00 0.00 177.00 176.83 3k1f n ASN 29 N 1.60 -2.39 -4.12 6.66 2.85 -1.26 -4.75 115.26 113.86 3k1f n ASN 29 Ca -0.05 -0.69 -0.21 0.00 -0.11 0.00 0.00 54.58 53.52 3k1f n ASN 29 Cb 0.49 -4.70 -0.14 0.00 1.24 0.00 0.00 39.78 36.67 3k1f n ASN 29 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3k1f s ALA 30 N -3.45 1.13 -0.00 5.20 0.00 -1.25 -2.18 121.76 121.20 3k1f s ALA 30 Ca 0.11 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.37 3k1f s ALA 30 Cb -0.05 -0.23 0.00 0.00 0.00 0.00 0.00 23.12 22.85 3k1f s ALA 30 CO 0.76 0.24 -0.01 0.08 0.00 0.00 0.00 175.76 176.84 3k1f s VAL 31 N -0.58 0.09 -0.36 0.00 1.01 -0.11 -1.43 120.40 119.01 3k1f s VAL 31 Ca 0.03 -0.01 -0.10 0.00 0.00 0.00 0.00 61.98 61.90 3k1f s VAL 31 Cb -0.06 -0.10 0.02 0.00 0.00 0.00 0.00 36.38 36.24 3k1f s VAL 31 CO 0.00 0.04 0.18 0.68 0.00 0.00 0.00 175.10 176.00 3k1f s VAL 32 N 0.16 4.42 -0.27 2.92 -7.23 -0.09 -1.09 120.40 119.23 3k1f s VAL 32 Ca -0.01 -0.84 -0.09 0.00 -1.81 0.00 0.00 61.98 59.22 3k1f s VAL 32 Cb -0.03 -3.44 -0.04 0.00 0.56 0.00 0.00 36.38 33.44 3k1f s VAL 32 CO -0.00 -0.17 0.13 -0.63 -0.31 0.00 0.00 175.10 174.12 3k1f s ILE 33 N 1.53 4.82 -0.34 -0.62 1.01 0.37 -1.09 121.20 126.89 3k1f s ILE 33 Ca 0.02 -0.00 -0.25 0.00 0.00 0.00 0.00 60.65 60.41 3k1f s ILE 33 Cb -0.19 -3.28 0.01 0.00 0.01 0.00 0.00 42.46 39.01 3k1f s ILE 33 CO 0.06 0.29 0.89 -0.89 0.00 0.00 0.00 174.94 175.28 3k1f s THR 34 N 1.69 4.65 -0.47 2.92 2.01 -0.24 -1.19 115.64 125.01 3k1f s THR 34 Ca 0.07 1.21 -0.16 0.00 0.31 0.00 0.00 61.69 63.12 3k1f s THR 34 Cb -0.16 -4.28 0.07 0.00 0.01 0.00 0.00 72.50 68.15 3k1f s THR 34 CO 0.07 -0.44 0.39 -0.36 -0.69 0.00 0.00 174.62 173.60 3k1f s PHE 35 N 3.30 3.24 0.17 4.92 0.40 -0.22 -2.29 117.98 127.50 3k1f s PHE 35 Ca 0.36 -0.89 -0.20 0.00 -0.60 0.00 0.00 56.93 55.60 3k1f s PHE 35 Cb -0.13 -3.13 -0.08 0.00 0.51 0.00 0.00 43.02 40.19 3k1f s PHE 35 CO 0.16 -0.78 0.67 -1.21 0.70 0.00 0.00 175.22 174.76 3k1f s GLU 36 N 1.66 4.25 -1.47 0.44 0.41 -0.96 -1.56 118.70 121.47 3k1f s GLU 36 Ca 0.04 0.83 -0.03 0.00 -0.41 0.00 0.00 54.97 55.40 3k1f s GLU 36 Cb -0.24 -3.03 0.00 0.00 -1.78 0.00 0.00 34.13 29.08 3k1f s GLU 36 CO 0.07 0.49 0.43 1.63 -0.49 0.00 0.00 175.26 177.39 3k1f n LYS 37 N 1.11 -3.80 -4.10 1.61 4.76 -0.20 -4.62 118.16 112.92 3k1f n LYS 37 Ca -0.05 0.85 -0.08 0.00 -2.87 0.00 0.00 58.31 56.16 3k1f n LYS 37 Cb 0.51 -5.51 -0.10 0.00 -1.84 0.00 0.00 35.03 28.09 3k1f n LYS 37 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3k1f s GLU 38 N -5.44 0.68 0.00 1.97 0.41 0.86 -4.45 118.70 112.73 3k1f s GLU 38 Ca 0.21 -1.27 0.00 0.00 -0.41 0.00 0.00 54.97 53.51 3k1f s GLU 38 Cb -0.09 0.22 0.00 0.00 -1.78 0.00 0.00 34.13 32.48 3k1f s GLU 38 CO 0.26 -0.15 0.00 -0.40 -0.49 0.00 0.00 175.26 174.49 3k1f n ASP 39 N 0.06 0.00 0.14 -0.19 5.75 -1.26 -3.83 116.55 117.21 3k1f n ASP 39 Ca -0.12 0.00 0.12 0.00 -0.01 0.00 0.00 54.79 54.78 3k1f n ASP 39 Cb 0.62 0.00 0.49 0.00 -1.03 0.00 0.00 41.12 41.20 3k1f n ASP 39 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 3k1f n HIS 40 N 0.00 0.88 -0.21 2.11 8.25 -1.26 -1.32 115.22 123.67 3k1f n HIS 40 Ca 0.00 0.33 0.02 0.00 -0.26 0.00 0.00 57.72 57.81 3k1f n HIS 40 Cb 0.00 -1.04 0.13 0.00 1.12 0.00 0.00 29.99 30.20 3k1f n HIS 40 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 3k1f h THR 41 N 0.00 0.67 0.00 1.59 2.02 -2.01 -2.88 112.91 112.30 3k1f h THR 41 Ca 0.00 -0.11 -0.43 0.00 0.77 0.00 0.00 66.41 66.64 3k1f h THR 41 Cb 0.42 0.31 -0.07 0.00 -1.74 0.00 0.00 68.15 67.07 3k1f h THR 41 CO 0.00 0.06 -2.41 0.18 0.37 0.00 0.00 175.52 173.72 3k1f n LEU 42 N -5.07 2.21 0.00 2.58 4.32 -1.10 -4.58 117.00 115.36 3k1f n LEU 42 Ca 0.10 0.23 0.00 0.00 -0.02 0.00 0.00 56.01 56.32 3k1f n LEU 42 Cb 0.33 -0.86 0.00 0.00 -1.62 0.00 0.00 43.42 41.27 3k1f n LEU 42 CO 0.18 0.65 0.48 0.61 -1.22 0.00 0.00 177.39 178.09 3k1f n GLY 43 N 1.53 -3.15 0.26 -0.72 0.00 -0.43 -1.54 105.19 101.14 3k1f n GLY 43 Ca -0.50 0.57 0.02 0.00 0.00 0.00 0.00 46.02 46.12 3k1f n GLY 43 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3k1f h ASN 44 N 0.00 -0.42 -0.04 1.61 -1.24 -1.77 -1.72 115.58 112.00 3k1f h ASN 44 Ca 0.00 0.19 -0.00 0.00 0.71 0.00 0.00 56.30 57.19 3k1f h ASN 44 Cb 0.00 0.35 -0.00 0.00 0.73 0.00 0.00 38.32 39.40 3k1f h ASN 44 CO 0.00 -0.18 0.01 0.25 -1.29 0.00 0.00 177.43 176.22 3k1f h LEU 45 N 0.07 0.07 -0.22 0.34 5.85 -1.70 -0.97 115.31 118.75 3k1f h LEU 45 Ca 0.36 -0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 3k1f h LEU 45 Cb 0.60 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 3k1f h LEU 45 CO -0.64 0.29 0.05 0.40 -0.34 0.00 0.00 178.44 178.21 3k1f h ILE 46 N -0.17 1.21 0.18 4.05 2.04 -1.09 -1.48 117.51 122.25 3k1f h ILE 46 Ca 0.01 -0.69 0.01 0.00 1.00 0.00 0.00 64.86 65.20 3k1f h ILE 46 Cb 0.26 1.24 -0.03 0.00 -0.74 0.00 0.00 36.82 37.54 3k1f h ILE 46 CO 0.00 0.22 -0.29 -0.09 0.00 0.00 0.00 178.15 177.98 3k1f h ARG 47 N 0.18 -0.53 -0.80 2.37 1.12 -1.32 -1.26 114.38 114.15 3k1f h ARG 47 Ca 0.07 0.04 -0.04 0.00 -1.11 0.00 0.00 59.98 58.94 3k1f h ARG 47 Cb 0.28 0.12 -0.04 0.00 -0.01 0.00 0.00 29.97 30.32 3k1f h ARG 47 CO 0.00 -0.35 0.36 0.00 -3.11 0.00 0.00 179.97 176.87 3k1f h ALA 48 N 0.11 1.12 -0.47 2.80 0.00 -1.20 -2.43 119.26 119.18 3k1f h ALA 48 Ca 0.02 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 3k1f h ALA 48 Cb 0.55 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3k1f h ALA 48 CO -0.13 0.65 0.05 0.93 0.00 0.00 0.00 179.25 180.74 3k1f h GLU 49 N 1.15 0.75 0.00 0.00 4.39 -1.03 -1.54 114.58 118.29 3k1f h GLU 49 Ca 0.27 -0.18 -0.02 0.00 0.34 0.00 0.00 59.36 59.77 3k1f h GLU 49 Cb 0.16 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.70 3k1f h GLU 49 CO -0.03 0.73 -0.11 -0.07 -1.16 0.00 0.00 179.01 178.37 3k1f h LEU 50 N 0.71 0.00 0.00 1.33 3.38 -0.89 -1.81 115.31 118.03 3k1f h LEU 50 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3k1f h LEU 50 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3k1f h LEU 50 CO 0.01 0.11 0.00 0.18 0.09 0.00 0.00 178.44 178.83 3k1f n LEU 51 N -3.96 0.00 -0.05 1.67 4.32 -0.58 -2.76 117.00 115.64 3k1f n LEU 51 Ca -0.02 0.37 -0.14 0.00 -0.02 0.00 0.00 56.01 56.20 3k1f n LEU 51 Cb 0.20 -0.37 -0.14 0.00 -1.62 0.00 0.00 43.42 41.49 3k1f n LEU 51 CO 0.32 -0.18 -0.86 0.59 -1.22 0.00 0.00 177.39 176.04 3k1f n ASN 52 N -1.37 1.25 -4.63 -1.43 3.02 -0.68 -4.88 115.26 106.54 3k1f n ASN 52 Ca 0.06 0.19 -0.43 0.00 -0.03 0.00 0.00 54.58 54.37 3k1f n ASN 52 Cb 0.14 -0.15 -0.03 0.00 -0.61 0.00 0.00 39.78 39.14 3k1f n ASN 52 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3k1f s ASP 53 N -6.32 6.15 0.50 6.41 -1.08 -1.11 -4.91 116.67 116.32 3k1f s ASP 53 Ca -0.16 1.83 0.29 0.00 -0.52 0.00 0.00 52.55 54.00 3k1f s ASP 53 Cb 0.07 -2.53 1.04 0.00 -1.46 0.00 0.00 42.92 40.04 3k1f s ASP 53 CO 0.77 -1.41 1.86 0.03 0.52 0.00 0.00 175.17 176.95 3k1f h ARG 54 N 11.80 0.00 0.00 4.34 2.47 -1.89 -3.05 114.38 128.05 3k1f h ARG 54 Ca -0.38 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.34 3k1f h ARG 54 Cb 1.19 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.51 3k1f h ARG 54 CO 0.98 0.04 0.00 1.63 0.56 0.00 0.00 179.97 183.19 3k1f n LYS 55 N -3.14 0.88 -4.01 0.04 5.02 -1.26 -4.66 118.16 111.02 3k1f n LYS 55 Ca 0.01 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.95 3k1f n LYS 55 Cb 0.38 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.78 3k1f n LYS 55 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3k1f s VAL 56 N -2.00 4.32 -0.18 -0.18 1.01 -1.15 -1.25 120.40 120.97 3k1f s VAL 56 Ca 0.42 -0.19 -0.24 0.00 0.00 0.00 0.00 61.98 61.97 3k1f s VAL 56 Cb 0.19 -2.97 -0.21 0.00 0.00 0.00 0.00 36.38 33.39 3k1f s VAL 56 CO 0.32 0.42 0.41 -0.07 0.00 0.00 0.00 175.10 176.18 3k1f h LEU 57 N 7.34 0.00 -8.26 3.92 3.38 -1.10 -3.48 115.31 117.10 3k1f h LEU 57 Ca -0.36 -0.68 -0.50 0.00 0.09 0.00 0.00 57.88 56.44 3k1f h LEU 57 Cb 1.18 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 41.64 3k1f h LEU 57 CO 0.63 1.30 -0.82 0.12 0.09 0.00 0.00 178.44 179.77 3k1f s PHE 58 N -2.31 1.34 -0.26 1.13 5.36 -0.38 -4.99 117.98 117.88 3k1f s PHE 58 Ca -0.25 -0.27 -0.05 0.00 -0.96 0.00 0.00 56.93 55.39 3k1f s PHE 58 Cb 0.03 -0.85 0.14 0.00 -0.34 0.00 0.00 43.02 41.99 3k1f s PHE 58 CO 0.62 -0.01 0.52 0.00 -1.46 0.00 0.00 175.22 174.90 3k1f s ALA 59 N -0.45 -1.68 -0.11 11.12 0.00 -1.25 -0.85 121.76 128.55 3k1f s ALA 59 Ca 0.05 1.71 -0.19 0.00 0.00 0.00 0.00 51.96 53.53 3k1f s ALA 59 Cb -0.06 -1.74 0.04 0.00 0.00 0.00 0.00 23.12 21.36 3k1f s ALA 59 CO -0.00 -1.06 0.47 0.00 0.00 0.00 0.00 175.76 175.18 3k1f s ALA 60 N 2.74 -1.20 0.11 0.00 0.00 -0.67 -4.95 121.76 117.80 3k1f s ALA 60 Ca 0.06 1.06 0.10 0.00 0.00 0.00 0.00 51.96 53.18 3k1f s ALA 60 Cb -0.13 -0.38 -0.04 0.00 0.00 0.00 0.00 23.12 22.57 3k1f s ALA 60 CO -0.17 -0.27 -0.26 1.52 0.00 0.00 0.00 175.76 176.58 3k1f s TYR 61 N -0.51 2.25 -0.03 0.00 -0.85 -1.26 -0.78 117.35 116.18 3k1f s TYR 61 Ca -0.06 -0.39 0.00 0.00 -0.52 0.00 0.00 57.07 56.10 3k1f s TYR 61 Cb -0.03 -1.24 0.03 0.00 0.38 0.00 0.00 41.96 41.09 3k1f s TYR 61 CO 0.04 0.29 0.01 0.21 -1.52 0.00 0.00 175.55 174.58 3k1f s LYS 62 N -1.91 0.23 -1.09 -3.49 2.20 0.05 -4.96 119.74 110.77 3k1f s LYS 62 Ca 0.13 0.10 -0.18 0.00 -0.36 0.00 0.00 55.97 55.67 3k1f s LYS 62 Cb -0.10 -0.45 0.12 0.00 -1.51 0.00 0.00 37.83 35.89 3k1f s LYS 62 CO 0.05 -0.15 1.37 0.14 -0.36 0.00 0.00 175.35 176.40 3k1f s VAL 63 N 1.07 4.60 0.00 4.02 -7.23 -1.26 -1.06 120.40 120.54 3k1f s VAL 63 Ca -0.09 -1.83 -0.01 0.00 -1.81 0.00 0.00 61.98 58.25 3k1f s VAL 63 Cb -0.13 -4.93 -0.00 0.00 0.56 0.00 0.00 36.38 31.87 3k1f s VAL 63 CO -0.02 -1.70 0.06 -0.62 -0.31 0.00 0.00 175.10 172.51 3k1f n GLU 64 N 6.94 -0.01 -3.67 4.82 -0.58 -1.25 -4.51 120.64 122.38 3k1f n GLU 64 Ca 0.33 0.06 -0.13 0.00 -0.42 0.00 0.00 57.16 57.00 3k1f n GLU 64 Cb 0.47 -0.09 -0.08 0.00 -0.57 0.00 0.00 31.44 31.17 3k1f n GLU 64 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 3k1f s HIS 65 N -4.25 -0.67 0.60 -0.32 5.04 -1.26 -5.07 115.29 109.36 3k1f s HIS 65 Ca -0.00 1.60 0.28 0.00 -1.54 0.00 0.00 55.06 55.40 3k1f s HIS 65 Cb 0.00 0.25 1.47 0.00 0.04 0.00 0.00 32.58 34.34 3k1f s HIS 65 CO 0.02 -0.32 1.87 -1.00 -2.34 0.00 0.00 174.74 172.96 3k1f h PRO 66 N 5.40 0.00 0.00 2.88 0.13 -1.98 -1.40 132.00 137.03 3k1f h PRO 66 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 3k1f h PRO 66 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3k1f h PRO 66 CO 0.14 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.10 3k1f n PHE 67 N -3.55 0.00 -4.48 1.56 0.99 -1.26 -4.83 117.46 105.89 3k1f n PHE 67 Ca 0.07 0.00 -0.29 0.00 -0.00 0.00 0.00 57.45 57.22 3k1f n PHE 67 Cb 0.65 -0.42 -0.13 0.00 -1.00 0.00 0.00 39.48 38.59 3k1f n PHE 67 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.76 176.70 3k1f s PHE 68 N -2.83 2.40 -0.36 1.38 0.40 -0.53 -5.02 117.98 113.41 3k1f s PHE 68 Ca 0.11 -0.34 0.04 0.00 -0.60 0.00 0.00 56.93 56.14 3k1f s PHE 68 Cb 0.11 -1.32 0.40 0.00 0.51 0.00 0.00 43.02 42.71 3k1f s PHE 68 CO 0.27 0.31 1.40 0.00 0.70 0.00 0.00 175.22 177.90 3k1f n ALA 69 N 1.10 3.88 -3.22 5.36 0.00 -1.26 -4.85 120.51 121.52 3k1f n ALA 69 Ca -0.17 -1.41 -0.33 0.00 0.00 0.00 0.00 53.44 51.53 3k1f n ALA 69 Cb 0.53 -1.19 -0.15 0.00 0.00 0.00 0.00 19.45 18.64 3k1f n ALA 69 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 3k1f s ARG 70 N -1.87 3.32 -0.06 0.00 1.70 -1.25 -0.10 118.95 120.70 3k1f s ARG 70 Ca 0.31 -0.71 0.04 0.00 -0.47 0.00 0.00 55.73 54.90 3k1f s ARG 70 Cb 0.25 -2.64 -0.00 0.00 -0.57 0.00 0.00 34.95 31.99 3k1f s ARG 70 CO 0.07 0.13 -0.18 -0.59 -1.08 0.00 0.00 175.30 173.65 3k1f s PHE 71 N 0.56 1.87 -0.22 5.89 -0.12 -0.60 -3.78 117.98 121.57 3k1f s PHE 71 Ca -0.09 -0.60 -0.10 0.00 -0.05 0.00 0.00 56.93 56.10 3k1f s PHE 71 Cb -0.16 -1.27 -0.05 0.00 -0.63 0.00 0.00 43.02 40.92 3k1f s PHE 71 CO 0.04 -0.22 0.14 0.21 -0.05 0.00 0.00 175.22 175.34 3k1f s LYS 72 N 0.15 4.10 -0.21 1.99 2.20 -0.22 -1.06 119.74 126.68 3k1f s LYS 72 Ca -0.07 -0.26 -0.01 0.00 -0.36 0.00 0.00 55.97 55.26 3k1f s LYS 72 Cb -0.13 -3.47 0.01 0.00 -1.51 0.00 0.00 37.83 32.73 3k1f s LYS 72 CO 0.03 0.16 -0.11 -1.17 -0.36 0.00 0.00 175.35 173.90 3k1f s LEU 73 N 0.77 2.68 -0.14 5.43 2.96 -0.34 -0.77 118.68 129.28 3k1f s LEU 73 Ca 0.07 -0.62 -0.04 0.00 -0.22 0.00 0.00 54.13 53.33 3k1f s LEU 73 Cb -0.13 -1.62 -0.03 0.00 0.50 0.00 0.00 46.19 44.91 3k1f s LEU 73 CO 0.02 -0.04 0.01 -0.60 -1.32 0.00 0.00 176.35 174.42 3k1f s ARG 74 N 1.37 3.53 -0.10 1.98 3.52 0.04 -0.48 118.95 128.80 3k1f s ARG 74 Ca 0.04 -0.41 0.01 0.00 -0.13 0.00 0.00 55.73 55.24 3k1f s ARG 74 Cb -0.14 -2.97 0.02 0.00 -1.56 0.00 0.00 34.95 30.29 3k1f s ARG 74 CO -0.07 0.43 -0.12 0.42 -0.81 0.00 0.00 175.30 175.15 3k1f s ILE 75 N -0.11 1.22 -0.16 4.11 1.01 -0.25 -1.68 121.20 125.35 3k1f s ILE 75 Ca 0.05 -0.47 0.01 0.00 0.00 0.00 0.00 60.65 60.24 3k1f s ILE 75 Cb -0.13 -1.15 0.01 0.00 0.01 0.00 0.00 42.46 41.20 3k1f s ILE 75 CO 0.02 0.39 -0.19 -1.58 0.00 0.00 0.00 174.94 173.57 3k1f s GLN 76 N 1.13 3.06 0.35 2.79 0.74 -0.03 -0.94 119.66 126.77 3k1f s GLN 76 Ca -0.05 -0.82 0.09 0.00 0.05 0.00 0.00 55.36 54.63 3k1f s GLN 76 Cb -0.14 -2.54 -0.06 0.00 1.10 0.00 0.00 33.01 31.37 3k1f s GLN 76 CO -0.02 -0.09 0.01 0.95 -0.55 0.00 0.00 175.29 175.59 3k1f s THR 77 N 1.01 2.48 0.57 -0.34 -4.23 -0.93 -0.57 115.64 113.64 3k1f s THR 77 Ca -0.02 -1.98 -0.20 0.00 -1.18 0.00 0.00 61.69 58.31 3k1f s THR 77 Cb -0.15 -2.81 -0.04 0.00 1.34 0.00 0.00 72.50 70.84 3k1f s THR 77 CO -0.06 -0.16 1.24 0.42 -0.54 0.00 0.00 174.62 175.52 3k1f s THR 78 N -2.56 2.51 0.03 3.99 -4.23 -0.38 -4.79 115.64 110.21 3k1f s THR 78 Ca 0.35 0.34 -0.30 0.00 -1.18 0.00 0.00 61.69 60.89 3k1f s THR 78 Cb 0.02 -3.15 -0.09 0.00 1.34 0.00 0.00 72.50 70.61 3k1f s THR 78 CO 0.19 -0.05 1.97 1.21 -0.54 0.00 0.00 174.62 177.40 3k1f n GLU 79 N -1.37 2.81 -0.14 3.99 4.07 -1.26 -2.18 120.64 126.55 3k1f n GLU 79 Ca 0.12 1.03 0.00 0.00 -0.06 0.00 0.00 57.16 58.26 3k1f n GLU 79 Cb 0.48 -2.98 0.00 0.00 -0.06 0.00 0.00 31.44 28.88 3k1f n GLU 79 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3k1f n GLY 80 N 4.54 0.92 2.93 8.31 0.00 -1.26 -5.10 105.19 115.54 3k1f n GLY 80 Ca 0.20 -0.15 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 3k1f n GLY 80 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3k1f s TYR 81 N -2.00 1.17 -0.17 1.61 6.04 -0.93 -5.14 117.35 117.94 3k1f s TYR 81 Ca 0.00 -0.45 -0.25 0.00 0.04 0.00 0.00 57.07 56.41 3k1f s TYR 81 Cb 0.00 -0.95 -0.01 0.00 -1.04 0.00 0.00 41.96 39.95 3k1f s TYR 81 CO 0.00 -0.31 0.83 0.34 -1.54 0.00 0.00 175.55 174.87 3k1f s ASP 82 N 1.08 6.95 0.62 4.32 3.68 -1.26 -4.66 116.67 127.40 3k1f s ASP 82 Ca -0.08 1.17 0.37 0.00 2.13 0.00 0.00 52.55 56.14 3k1f s ASP 82 Cb -0.14 -2.45 2.08 0.00 -1.45 0.00 0.00 42.92 40.95 3k1f s ASP 82 CO -0.01 -0.40 2.30 1.55 0.13 0.00 0.00 175.17 178.73 3k1f h PRO 83 N 7.34 0.00 0.19 4.34 0.13 -1.90 -1.03 132.00 141.08 3k1f h PRO 83 Ca -0.29 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.83 3k1f h PRO 83 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3k1f h PRO 83 CO 0.84 0.01 -0.09 0.87 -0.23 0.00 0.00 178.00 179.39 3k1f h LYS 84 N 0.00 -0.25 0.00 0.86 1.57 -1.97 -0.23 116.57 116.55 3k1f h LYS 84 Ca -0.00 0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 3k1f h LYS 84 Cb 0.03 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 3k1f h LYS 84 CO 0.00 -0.01 -0.23 -0.44 -0.57 0.00 0.00 179.45 178.20 3k1f h ASP 85 N -0.46 0.00 -0.29 0.86 3.32 -1.77 -0.97 116.42 117.12 3k1f h ASP 85 Ca -0.03 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.88 3k1f h ASP 85 Cb 0.35 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.90 3k1f h ASP 85 CO 0.04 0.23 -0.36 0.00 -1.72 0.00 0.00 179.24 177.43 3k1f h ALA 86 N 1.77 0.44 -0.76 3.45 0.00 -1.03 -0.86 119.26 122.26 3k1f h ALA 86 Ca -0.00 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 3k1f h ALA 86 Cb 0.48 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3k1f h ALA 86 CO 0.03 0.51 0.35 1.25 0.00 0.00 0.00 179.25 181.40 3k1f h LEU 87 N 0.51 1.01 0.31 0.00 5.85 -0.49 -1.33 115.31 121.18 3k1f h LEU 87 Ca 0.04 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.60 3k1f h LEU 87 Cb 0.95 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.72 3k1f h LEU 87 CO 0.09 0.87 -0.15 0.11 -0.34 0.00 0.00 178.44 179.02 3k1f h LYS 88 N 1.08 -0.40 -0.63 1.25 1.57 -1.07 -1.04 116.57 117.33 3k1f h LYS 88 Ca 0.26 0.03 0.01 0.00 -1.87 0.00 0.00 60.65 59.08 3k1f h LYS 88 Cb 0.14 0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.51 3k1f h LYS 88 CO -0.03 -0.22 0.41 -0.91 -0.57 0.00 0.00 179.45 178.12 3k1f h ASN 89 N -0.48 0.69 -0.60 0.86 2.35 -0.99 -0.49 115.58 116.91 3k1f h ASN 89 Ca -0.04 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.66 3k1f h ASN 89 Cb 0.36 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.54 3k1f h ASN 89 CO 0.07 0.50 0.24 0.00 -1.65 0.00 0.00 177.43 176.59 3k1f h ALA 90 N 1.24 0.79 0.18 -0.83 0.00 -1.23 -1.44 119.26 117.98 3k1f h ALA 90 Ca 0.24 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.99 3k1f h ALA 90 Cb -0.06 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 3k1f h ALA 90 CO -0.07 0.40 -0.24 0.00 0.00 0.00 0.00 179.25 179.34 3k1f h ASN 92 N -0.48 0.47 -0.26 0.00 2.35 -1.04 -1.18 115.58 115.44 3k1f h ASN 92 Ca 0.01 0.01 0.06 0.00 -0.55 0.00 0.00 56.30 55.83 3k1f h ASN 92 Cb 0.47 -0.08 -0.06 0.00 0.05 0.00 0.00 38.32 38.71 3k1f h ASN 92 CO -0.09 0.33 -0.10 -1.28 -1.65 0.00 0.00 177.43 174.63 3k1f h SER 93 N 0.59 -0.34 0.03 5.81 0.87 -0.96 -0.49 113.55 119.08 3k1f h SER 93 Ca 0.22 0.09 0.01 0.00 -1.23 0.00 0.00 61.79 60.89 3k1f h SER 93 Cb 0.07 0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.22 3k1f h SER 93 CO -0.12 -0.13 -0.10 0.40 -0.53 0.00 0.00 176.83 176.35 3k1f h ILE 94 N -0.05 0.76 -0.18 2.23 2.04 -0.67 -0.19 117.51 121.45 3k1f h ILE 94 Ca 0.13 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.04 3k1f h ILE 94 Cb 0.25 0.76 -0.05 0.00 -0.74 0.00 0.00 36.82 37.04 3k1f h ILE 94 CO -0.30 0.00 -0.14 0.40 0.00 0.00 0.00 178.15 178.11 3k1f h ILE 95 N -0.19 0.60 -0.50 -0.67 2.04 -0.91 -0.76 117.51 117.12 3k1f h ILE 95 Ca 0.03 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.86 3k1f h ILE 95 Cb 0.21 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 3k1f h ILE 95 CO -0.07 0.00 0.20 0.78 0.00 0.00 0.00 178.15 179.06 3k1f h ASN 96 N -0.15 0.69 -0.11 1.72 2.35 -0.95 -1.08 115.58 118.06 3k1f h ASN 96 Ca 0.11 -0.17 0.03 0.00 -0.55 0.00 0.00 56.30 55.72 3k1f h ASN 96 Cb 0.31 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.47 3k1f h ASN 96 CO -0.27 0.67 -0.06 0.11 -1.65 0.00 0.00 177.43 176.24 3k1f h LYS 97 N 0.67 -0.05 -0.46 0.81 1.57 -0.78 -1.72 116.57 116.61 3k1f h LYS 97 Ca 0.17 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.90 3k1f h LYS 97 Cb 0.20 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 3k1f h LYS 97 CO -0.01 -0.04 0.08 -0.07 -0.57 0.00 0.00 179.45 178.84 3k1f h LEU 98 N -0.06 0.66 -0.61 2.94 3.38 -1.01 -1.55 115.31 119.07 3k1f h LEU 98 Ca 0.06 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3k1f h LEU 98 Cb 0.15 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 3k1f h LEU 98 CO -0.14 0.68 0.33 1.23 0.09 0.00 0.00 178.44 180.62 3k1f h GLY 99 N 0.91 0.91 0.97 0.83 0.00 -0.81 -0.29 103.07 105.59 3k1f h GLY 99 Ca 0.15 -0.42 -0.03 0.00 0.00 0.00 0.00 47.33 47.03 3k1f h GLY 99 CO 0.00 0.40 0.21 0.00 0.00 0.00 0.00 176.54 177.16 3k1f h ALA 100 N 1.15 0.66 -0.76 3.60 0.00 -0.92 -1.76 119.26 121.24 3k1f h ALA 100 Ca 0.21 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.99 3k1f h ALA 100 Cb 0.05 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 3k1f h ALA 100 CO -0.03 0.26 0.50 1.25 0.00 0.00 0.00 179.25 181.23 3k1f h LEU 101 N 0.68 0.86 0.64 0.00 6.46 -0.87 -0.96 115.31 122.12 3k1f h LEU 101 Ca 0.17 -0.02 -0.03 0.00 -0.12 0.00 0.00 57.88 57.88 3k1f h LEU 101 Cb 0.18 -0.21 0.01 0.00 -0.73 0.00 0.00 40.66 39.91 3k1f h LEU 101 CO -0.02 0.62 -0.31 0.50 -0.62 0.00 0.00 178.44 178.61 3k1f h LYS 102 N 1.01 -0.83 -0.79 1.25 3.64 -0.79 -0.64 116.57 119.42 3k1f h LYS 102 Ca 0.28 0.06 0.04 0.00 -1.27 0.00 0.00 60.65 59.76 3k1f h LYS 102 Cb -0.09 0.19 -0.05 0.00 -0.41 0.00 0.00 32.23 31.86 3k1f h LYS 102 CO -0.07 -0.54 0.50 1.15 -2.27 0.00 0.00 179.45 178.21 3k1f h THR 103 N -0.89 1.09 -0.20 1.00 2.02 -1.24 -1.28 112.91 113.42 3k1f h THR 103 Ca -0.09 -0.32 -0.02 0.00 0.77 0.00 0.00 66.41 66.75 3k1f h THR 103 Cb 0.67 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 3k1f h THR 103 CO 0.14 0.17 0.06 0.78 0.37 0.00 0.00 175.52 177.05 3k1f h ASN 104 N 0.95 0.29 -0.85 4.18 4.21 -1.10 -1.09 115.58 122.17 3k1f h ASN 104 Ca 0.33 -0.20 -0.01 0.00 1.21 0.00 0.00 56.30 57.63 3k1f h ASN 104 Cb 0.06 -0.08 -0.04 0.00 -1.12 0.00 0.00 38.32 37.15 3k1f h ASN 104 CO -0.13 0.41 0.50 0.15 -1.29 0.00 0.00 177.43 177.07 3k1f h PHE 105 N 0.14 1.13 -0.44 1.19 3.57 -0.92 -1.12 116.94 120.49 3k1f h PHE 105 Ca 0.06 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 3k1f h PHE 105 Cb 0.23 -0.37 -0.02 0.00 2.79 0.00 0.00 35.95 38.58 3k1f h PHE 105 CO 0.00 0.76 0.27 0.93 -2.23 0.00 0.00 178.31 178.05 3k1f h GLU 106 N 1.17 0.60 0.08 1.11 5.08 -1.08 -0.30 114.58 121.23 3k1f h GLU 106 Ca 0.30 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.62 3k1f h GLU 106 Cb -0.03 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 3k1f h GLU 106 CO -0.05 0.43 -0.13 1.15 -1.00 0.00 0.00 179.01 179.41 3k1f h THR 107 N 0.59 0.70 0.00 1.13 2.02 -0.72 -0.48 112.91 116.15 3k1f h THR 107 Ca 0.16 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.34 3k1f h THR 107 Cb -0.02 0.70 0.00 0.00 -1.74 0.00 0.00 68.15 67.09 3k1f h THR 107 CO -0.03 0.00 0.00 -0.33 0.37 0.00 0.00 175.52 175.53 3k1f h GLU 108 N -0.26 0.00 0.17 6.66 4.39 -1.05 -1.41 114.58 123.08 3k1f h GLU 108 Ca 0.02 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.37 3k1f h GLU 108 Cb 0.27 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 3k1f h GLU 108 CO -0.07 0.00 -1.75 2.35 -1.16 0.00 0.00 179.01 178.38 3k1f h TRP 109 N 0.00 0.65 -0.32 4.33 2.91 -0.48 -3.25 115.95 119.78 3k1f h TRP 109 Ca 0.00 -0.48 -0.03 0.00 1.13 0.00 0.00 58.89 59.52 3k1f h TRP 109 Cb 0.32 -0.03 -0.01 0.00 -0.51 0.00 0.00 29.16 28.93 3k1f h TRP 109 CO 0.00 1.68 0.10 -0.91 -1.03 0.00 0.00 178.44 178.28 3k1f h ASN 110 N 0.05 0.47 0.00 2.65 2.35 -0.74 -1.87 115.58 118.49 3k1f h ASN 110 Ca -0.35 -0.21 0.00 0.00 -0.55 0.00 0.00 56.30 55.19 3k1f h ASN 110 Cb 2.05 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 40.29 3k1f h ASN 110 CO 0.15 0.56 0.10 -0.07 -1.65 0.00 0.00 177.43 176.51 3k1f h LEU 111 N 0.37 0.00 -8.58 1.61 3.38 -1.41 -3.40 115.31 107.28 3k1f h LEU 111 Ca 0.10 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 57.39 3k1f h LEU 111 Cb 0.25 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 40.82 3k1f h LEU 111 CO -0.00 0.00 -0.23 -1.10 0.09 0.00 0.00 178.44 177.20 3k1f s GLN 112 N -3.62 3.20 -0.74 1.13 -1.52 -0.70 -5.00 119.66 112.42 3k1f s GLN 112 Ca -0.03 -0.69 0.04 0.00 -1.95 0.00 0.00 55.36 52.73 3k1f s GLN 112 Cb 0.07 -3.93 0.25 0.00 -0.22 0.00 0.00 33.01 29.18 3k1f s GLN 112 CO 0.21 -0.78 0.85 2.41 -0.25 0.00 0.00 175.29 177.74 3k1f n THR 113 N 5.38 2.85 -0.03 -0.19 -1.04 -1.26 -4.95 114.28 115.04 3k1f n THR 113 Ca -0.08 -5.31 0.00 0.00 -2.04 0.00 0.00 64.05 56.62 3k1f n THR 113 Cb 0.48 -2.12 0.00 0.00 -1.82 0.00 0.00 70.33 66.87 3k1f n THR 113 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32