#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k1f n SER 4 N 0.00 0.00 -3.15 -1.34 7.64 -1.26 -5.15 113.62 110.36 3k1f n SER 4 Ca 0.00 0.00 0.06 0.00 1.01 0.00 0.00 58.87 59.94 3k1f n SER 4 Cb 0.00 0.07 -0.01 0.00 -1.01 0.00 0.00 64.21 63.25 3k1f n SER 4 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 3k1f s THR 5 N -0.37 -0.06 0.19 0.44 -1.32 -1.26 -5.20 115.64 108.06 3k1f s THR 5 Ca 0.00 0.00 0.05 0.00 -1.21 0.00 0.00 61.69 60.53 3k1f s THR 5 Cb 0.00 -0.76 -0.04 0.00 -1.51 0.00 0.00 72.50 70.20 3k1f s THR 5 CO 0.00 0.00 0.20 -0.55 -2.21 0.00 0.00 174.62 172.06 3k1f s SER 6 N 2.99 5.73 0.00 8.08 0.15 -1.26 -5.15 113.70 124.24 3k1f s SER 6 Ca 0.01 -0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.56 3k1f s SER 6 Cb -0.06 -1.55 0.00 0.00 -1.71 0.00 0.00 66.02 62.70 3k1f s SER 6 CO -0.11 0.02 0.00 1.07 1.20 0.00 0.00 173.24 175.42 3k1f n THR 7 N -0.71 0.00 0.00 6.45 5.66 -1.26 -5.11 114.28 119.31 3k1f n THR 7 Ca -0.08 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.92 3k1f n THR 7 Cb 0.56 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.34 3k1f n THR 7 CO 0.00 0.00 0.00 2.22 -3.05 0.00 0.00 175.07 174.24 3k1f n PHE 8 N 0.00 0.00 -3.41 1.09 1.16 -1.26 -5.08 117.46 109.96 3k1f n PHE 8 Ca 0.00 0.00 -0.39 0.00 -1.87 0.00 0.00 57.45 55.19 3k1f n PHE 8 Cb 0.00 0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 37.78 3k1f n PHE 8 CO 0.00 0.00 0.00 1.14 -1.87 0.00 0.00 176.76 176.03 3k1f s GLN 9 N -1.28 4.00 -0.09 3.97 -2.07 -1.26 -5.08 119.66 117.84 3k1f s GLN 9 Ca 0.00 -0.01 0.03 0.00 -1.82 0.00 0.00 55.36 53.56 3k1f s GLN 9 Cb 0.00 -3.66 0.01 0.00 -1.09 0.00 0.00 33.01 28.27 3k1f s GLN 9 CO 0.00 -0.27 -0.19 0.95 -1.32 0.00 0.00 175.29 174.45 3k1f s THR 10 N 2.04 1.72 0.32 3.63 -4.23 -1.26 -5.05 115.64 112.79 3k1f s THR 10 Ca 0.14 -0.81 -0.02 0.00 -1.18 0.00 0.00 61.69 59.82 3k1f s THR 10 Cb -0.16 -1.51 -0.04 0.00 1.34 0.00 0.00 72.50 72.13 3k1f s THR 10 CO 0.10 0.48 0.55 0.00 -0.54 0.00 0.00 174.62 175.21 3k1f s ARG 11 N 0.56 3.55 0.00 3.99 1.04 -1.26 -5.05 118.95 121.78 3k1f s ARG 11 Ca -0.15 -0.18 -0.30 0.00 -1.04 0.00 0.00 55.73 54.06 3k1f s ARG 11 Cb -0.17 -2.66 -0.07 0.00 -2.04 0.00 0.00 34.95 30.01 3k1f s ARG 11 CO 0.05 0.18 1.66 0.50 -0.04 0.00 0.00 175.30 177.65 3k1f s ARG 12 N -3.94 4.19 -1.00 3.89 3.00 -1.26 -4.91 118.95 118.92 3k1f s ARG 12 Ca 0.42 2.26 -0.21 0.00 -1.00 0.00 0.00 55.73 57.20 3k1f s ARG 12 Cb -0.10 -3.83 -0.10 0.00 0.00 0.00 0.00 34.95 30.92 3k1f s ARG 12 CO 0.34 -0.79 1.95 2.89 0.00 0.00 0.00 175.30 179.68 3k1f n ARG 13 N 6.47 1.83 -0.44 5.12 -4.01 -1.26 -4.77 116.66 119.59 3k1f n ARG 13 Ca 0.17 -2.20 -0.03 0.00 -1.04 0.00 0.00 57.85 54.75 3k1f n ARG 13 Cb 0.42 -3.21 0.01 0.00 -3.04 0.00 0.00 32.46 26.64 3k1f n ARG 13 CO 0.00 0.00 0.00 -2.13 -3.04 0.00 0.00 177.63 172.46 3k1f n ARG 14 N 7.31 1.13 0.00 2.89 0.63 -1.26 -4.87 116.66 122.48 3k1f n ARG 14 Ca 0.49 -0.26 0.00 0.00 -0.92 0.00 0.00 57.85 57.16 3k1f n ARG 14 Cb 0.42 -1.10 0.00 0.00 0.45 0.00 0.00 32.46 32.23 3k1f n ARG 14 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 3k1f n LEU 15 N 1.06 0.00 -4.74 6.15 7.94 -1.26 -4.90 117.00 121.25 3k1f n LEU 15 Ca 0.05 0.00 -0.36 0.00 -1.11 0.00 0.00 56.01 54.59 3k1f n LEU 15 Cb 0.53 0.00 0.06 0.00 0.53 0.00 0.00 43.42 44.54 3k1f n LEU 15 CO 0.06 0.00 0.85 -1.59 -1.11 0.00 0.00 177.39 175.59 3k1f s LYS 16 N 0.00 2.65 -0.09 1.96 -2.85 -1.26 -5.01 119.74 115.13 3k1f s LYS 16 Ca 0.00 1.86 0.03 0.00 -1.00 0.00 0.00 55.97 56.86 3k1f s LYS 16 Cb 0.00 -1.88 -0.07 0.00 -2.06 0.00 0.00 37.83 33.81 3k1f s LYS 16 CO 0.00 -1.47 -0.05 1.63 0.10 0.00 0.00 175.35 175.56 3k1f n LYS 17 N -1.98 1.01 -1.44 1.78 4.01 -1.26 -4.99 118.16 115.29 3k1f n LYS 17 Ca 0.14 0.04 -0.16 0.00 -0.51 0.00 0.00 58.31 57.82 3k1f n LYS 17 Cb 0.49 -1.20 -0.14 0.00 -0.51 0.00 0.00 35.03 33.67 3k1f n LYS 17 CO 0.00 0.00 0.00 1.33 -1.11 0.00 0.00 177.40 177.62 3k1f n VAL 18 N -2.63 0.00 0.00 -0.18 0.24 -1.26 -4.16 118.33 110.34 3k1f n VAL 18 Ca -0.16 -0.46 0.00 0.00 -2.04 0.00 0.00 64.34 61.68 3k1f n VAL 18 Cb 0.71 -0.68 0.00 0.00 -1.47 0.00 0.00 33.84 32.39 3k1f n VAL 18 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 3k1f n GLU 19 N 6.43 0.00 -1.56 7.34 4.07 -1.26 -5.07 120.64 130.59 3k1f n GLU 19 Ca 0.50 0.00 -0.13 0.00 -0.06 0.00 0.00 57.16 57.46 3k1f n GLU 19 Cb 0.30 -0.16 -0.09 0.00 -0.06 0.00 0.00 31.44 31.43 3k1f n GLU 19 CO 0.00 0.00 0.00 -0.85 -0.06 0.00 0.00 177.13 176.22 3k1f n GLU 20 N -1.32 0.36 -2.32 5.31 0.00 -1.26 -4.94 120.64 116.48 3k1f n GLU 20 Ca 0.00 -1.17 -0.31 0.00 0.00 0.00 0.00 57.16 55.68 3k1f n GLU 20 Cb 0.00 -3.73 -0.02 0.00 0.00 0.00 0.00 31.44 27.69 3k1f n GLU 20 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 3k1f s GLU 21 N 8.73 3.82 0.24 3.44 2.02 -1.26 -5.02 118.70 130.66 3k1f s GLU 21 Ca 0.88 0.81 -0.31 0.00 0.02 0.00 0.00 54.97 56.37 3k1f s GLU 21 Cb -0.11 -2.16 -0.13 0.00 0.10 0.00 0.00 34.13 31.83 3k1f s GLU 21 CO 0.13 -0.32 1.49 -0.85 0.02 0.00 0.00 175.26 175.73 3k1f n GLU 22 N -1.89 2.25 -2.90 1.61 -0.00 -1.26 -4.95 120.64 113.50 3k1f n GLU 22 Ca 0.06 0.80 -0.42 0.00 -0.00 0.00 0.00 57.16 57.60 3k1f n GLU 22 Cb 0.54 -2.51 -0.04 0.00 -0.00 0.00 0.00 31.44 29.42 3k1f n GLU 22 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.13 176.33 3k1f s ASN 23 N 0.47 6.73 0.44 -1.84 -0.87 -1.26 -4.95 114.94 113.65 3k1f s ASN 23 Ca 0.69 0.78 0.06 0.00 -1.57 0.00 0.00 52.86 52.82 3k1f s ASN 23 Cb -0.61 -2.43 -0.04 0.00 -0.02 0.00 0.00 41.25 38.15 3k1f s ASN 23 CO 0.47 -0.63 0.16 0.00 -2.57 0.00 0.00 177.10 174.53 3k1f s ALA 24 N 3.02 3.69 0.11 0.60 0.00 -1.21 -5.01 121.76 122.94 3k1f s ALA 24 Ca 0.34 -1.83 -0.21 0.00 0.00 0.00 0.00 51.96 50.25 3k1f s ALA 24 Cb -0.14 -0.29 -0.10 0.00 0.00 0.00 0.00 23.12 22.59 3k1f s ALA 24 CO 0.12 -0.18 1.74 0.00 0.00 0.00 0.00 175.76 177.44 3k1f h ALA 25 N 1.39 0.09 -0.53 0.00 0.00 -1.96 -3.20 119.26 115.04 3k1f h ALA 25 Ca -0.42 0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.29 3k1f h ALA 25 Cb 1.26 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 3k1f h ALA 25 CO 0.71 -0.45 0.58 0.95 0.00 0.00 0.00 179.25 181.04 3k1f s THR 26 N -6.19 3.34 0.00 0.00 -4.23 -1.26 -4.49 115.64 102.81 3k1f s THR 26 Ca -0.13 -0.37 0.00 0.00 -1.18 0.00 0.00 61.69 60.00 3k1f s THR 26 Cb 0.08 -3.91 0.00 0.00 1.34 0.00 0.00 72.50 70.01 3k1f s THR 26 CO 0.67 -0.68 0.00 0.18 -0.54 0.00 0.00 174.62 174.26 3k1f n LEU 27 N 15.60 0.00 -4.04 4.79 4.77 -1.26 -4.81 117.00 132.06 3k1f n LEU 27 Ca 0.43 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.98 3k1f n LEU 27 Cb 0.46 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 3k1f n LEU 27 CO 0.60 0.00 1.02 1.67 -1.33 0.00 0.00 177.39 179.35 3k1f n GLN 28 N -0.46 4.22 -1.45 3.23 0.00 -1.21 -5.02 117.38 116.69 3k1f n GLN 28 Ca 0.00 -4.55 -0.29 0.00 -0.00 0.00 0.00 57.00 52.16 3k1f n GLN 28 Cb 0.00 -2.51 0.18 0.00 0.00 0.00 0.00 30.24 27.92 3k1f n GLN 28 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 3k1f s LEU 29 N -2.52 1.71 0.86 1.69 2.01 -1.26 -3.36 118.68 117.82 3k1f s LEU 29 Ca 0.31 0.70 -0.11 0.00 0.01 0.00 0.00 54.13 55.04 3k1f s LEU 29 Cb 0.03 -2.75 0.11 0.00 0.01 0.00 0.00 46.19 43.58 3k1f s LEU 29 CO 0.07 -3.16 1.09 -0.83 1.01 0.00 0.00 176.35 174.54 3k1f s GLY 30 N -4.15 1.62 0.32 -3.19 0.00 -1.26 -4.79 107.32 95.88 3k1f s GLY 30 Ca 0.69 -0.06 0.09 0.00 0.00 0.00 0.00 44.72 45.44 3k1f s GLY 30 CO 0.54 0.40 1.64 -1.61 0.00 0.00 0.00 173.10 174.08 3k1f h GLN 31 N -1.40 0.23 0.16 2.90 4.15 -1.99 0.25 115.11 119.40 3k1f h GLN 31 Ca -0.48 -0.01 -0.31 0.00 0.77 0.00 0.00 58.65 58.61 3k1f h GLN 31 Cb 1.27 -0.05 0.01 0.00 0.21 0.00 0.00 27.48 28.92 3k1f h GLN 31 CO 0.55 0.15 -1.48 0.93 -1.93 0.00 0.00 178.83 177.05 3k1f h GLU 32 N 0.23 0.34 0.00 1.69 3.07 -1.97 -3.37 114.58 114.57 3k1f h GLU 32 Ca 0.67 -0.58 0.00 0.00 -0.50 0.00 0.00 59.36 58.95 3k1f h GLU 32 Cb 1.48 0.22 0.00 0.00 -0.84 0.00 0.00 28.75 29.60 3k1f h GLU 32 CO -0.66 1.24 0.00 1.19 -1.40 0.00 0.00 179.01 179.38 3k1f n PHE 33 N -3.55 0.00 -1.52 4.33 3.01 0.05 -4.81 117.46 114.97 3k1f n PHE 33 Ca -0.16 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.01 3k1f n PHE 33 Cb 1.06 0.00 0.10 0.00 -0.01 0.00 0.00 39.48 40.62 3k1f n PHE 33 CO 0.00 0.00 0.00 1.14 1.01 0.00 0.00 176.76 178.91 3k1f s GLN 34 N -2.00 1.95 0.24 -1.08 1.03 -1.08 -4.74 119.66 113.99 3k1f s GLN 34 Ca 0.30 0.63 -0.05 0.00 0.04 0.00 0.00 55.36 56.28 3k1f s GLN 34 Cb 0.14 -1.90 0.46 0.00 0.03 0.00 0.00 33.01 31.73 3k1f s GLN 34 CO 0.23 -1.71 1.67 -0.07 -2.54 0.00 0.00 175.29 172.87 3k1f h LEU 35 N -1.16 -0.06 -5.27 2.60 3.38 -1.94 -3.30 115.31 109.57 3k1f h LEU 35 Ca -0.47 0.16 -0.66 0.00 0.09 0.00 0.00 57.88 57.00 3k1f h LEU 35 Cb 1.27 0.23 0.01 0.00 0.09 0.00 0.00 40.66 42.27 3k1f h LEU 35 CO 0.59 -0.07 3.59 0.29 0.09 0.00 0.00 178.44 182.93 3k1f n LYS 36 N -5.20 3.36 -2.68 1.13 5.02 -1.26 -2.60 118.16 115.93 3k1f n LYS 36 Ca 0.14 -2.22 -0.37 0.00 -2.02 0.00 0.00 58.31 53.84 3k1f n LYS 36 Cb 0.47 -2.88 -0.06 0.00 -0.02 0.00 0.00 35.03 32.54 3k1f n LYS 36 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 3k1f s GLN 37 N 2.54 4.48 -0.24 1.97 -2.07 -0.90 -4.87 119.66 120.57 3k1f s GLN 37 Ca 0.63 1.43 -0.08 0.00 -1.82 0.00 0.00 55.36 55.52 3k1f s GLN 37 Cb 0.16 -2.78 -0.03 0.00 -1.09 0.00 0.00 33.01 29.27 3k1f s GLN 37 CO -0.06 0.16 0.09 0.42 -1.32 0.00 0.00 175.29 174.59 3k1f s ILE 38 N -1.57 4.59 0.41 3.63 1.09 -1.26 -1.16 121.20 126.92 3k1f s ILE 38 Ca 0.51 -0.08 -0.25 0.00 -1.10 0.00 0.00 60.65 59.73 3k1f s ILE 38 Cb -0.21 -3.14 -0.08 0.00 -1.06 0.00 0.00 42.46 37.97 3k1f s ILE 38 CO 0.27 0.34 1.19 0.21 -0.10 0.00 0.00 174.94 176.85 3k1f s ASN 39 N 1.41 6.45 0.64 3.58 2.47 0.08 -4.91 114.94 124.66 3k1f s ASN 39 Ca 0.06 2.40 0.21 0.00 0.42 0.00 0.00 52.86 55.94 3k1f s ASN 39 Cb -0.15 -2.62 1.03 0.00 -1.45 0.00 0.00 41.25 38.07 3k1f s ASN 39 CO 0.05 -0.73 1.56 0.45 -3.72 0.00 0.00 177.10 174.70 3k1f h HIS 40 N 2.59 0.00 -0.00 0.43 3.86 -1.99 0.18 115.15 120.22 3k1f h HIS 40 Ca -0.49 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.72 3k1f h HIS 40 Cb 1.24 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.71 3k1f h HIS 40 CO 0.55 0.00 -0.31 1.04 0.86 0.00 0.00 177.93 180.07 3k1f n GLN 41 N -3.04 0.09 0.00 2.45 3.00 -1.26 -4.94 117.38 113.68 3k1f n GLN 41 Ca 0.06 -0.04 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 3k1f n GLN 41 Cb 0.83 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.57 3k1f n GLN 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3k1f n GLY 42 N 1.48 1.70 3.42 1.08 0.00 0.61 -5.14 105.19 108.33 3k1f n GLY 42 Ca 0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 3k1f n GLY 42 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3k1f s GLU 43 N -0.51 1.53 0.43 1.61 1.03 -1.18 -4.94 118.70 116.69 3k1f s GLU 43 Ca 0.00 -1.73 -0.25 0.00 0.03 0.00 0.00 54.97 53.01 3k1f s GLU 43 Cb 0.00 -1.33 -0.08 0.00 -0.80 0.00 0.00 34.13 31.92 3k1f s GLU 43 CO 0.00 0.16 1.36 -1.21 -1.33 0.00 0.00 175.26 174.24 3k1f s GLU 44 N -3.64 3.79 -0.17 -4.83 2.02 -1.26 -0.74 118.70 113.86 3k1f s GLU 44 Ca 0.28 2.27 -0.14 0.00 0.02 0.00 0.00 54.97 57.40 3k1f s GLU 44 Cb 0.00 -2.67 0.05 0.00 0.10 0.00 0.00 34.13 31.61 3k1f s GLU 44 CO 0.11 -0.68 0.44 -2.00 0.02 0.00 0.00 175.26 173.15 3k1f s GLU 45 N -2.39 0.48 0.35 1.61 2.12 -0.31 -4.77 118.70 115.80 3k1f s GLU 45 Ca 0.60 0.67 -0.27 0.00 0.36 0.00 0.00 54.97 56.33 3k1f s GLU 45 Cb -0.40 0.17 -0.09 0.00 0.26 0.00 0.00 34.13 34.07 3k1f s GLU 45 CO 0.52 -0.09 1.12 -2.00 -0.54 0.00 0.00 175.26 174.27 3k1f s GLU 46 N 0.59 4.32 0.54 4.30 2.12 -1.26 -2.12 118.70 127.20 3k1f s GLU 46 Ca -0.03 1.77 -0.19 0.00 0.36 0.00 0.00 54.97 56.88 3k1f s GLU 46 Cb -0.05 -2.86 -0.08 0.00 0.26 0.00 0.00 34.13 31.40 3k1f s GLU 46 CO -0.04 -0.07 0.69 -0.11 -0.54 0.00 0.00 175.26 175.20 3k1f n LEU 47 N 0.50 1.58 -4.53 2.70 -0.00 -1.07 -4.86 117.00 111.33 3k1f n LEU 47 Ca 0.02 0.81 -0.37 0.00 -0.00 0.00 0.00 56.01 56.47 3k1f n LEU 47 Cb 0.46 -1.24 -0.11 0.00 -0.00 0.00 0.00 43.42 42.53 3k1f n LEU 47 CO 0.51 -2.57 -0.24 -0.63 -0.00 0.00 0.00 177.39 174.46 3k1f s ILE 48 N -1.59 4.74 -0.14 1.96 -1.09 -1.26 -4.81 121.20 119.01 3k1f s ILE 48 Ca 0.69 -0.03 -0.04 0.00 -2.23 0.00 0.00 60.65 59.04 3k1f s ILE 48 Cb -0.47 -3.22 0.06 0.00 -1.58 0.00 0.00 42.46 37.26 3k1f s ILE 48 CO 0.53 0.33 0.16 0.00 -1.23 0.00 0.00 174.94 174.74 3k1f s ALA 49 N 1.44 -0.07 0.12 9.38 0.00 -1.26 -4.98 121.76 126.39 3k1f s ALA 49 Ca 0.06 0.27 -0.02 0.00 0.00 0.00 0.00 51.96 52.28 3k1f s ALA 49 Cb -0.15 -1.02 -0.05 0.00 0.00 0.00 0.00 23.12 21.90 3k1f s ALA 49 CO 0.05 -0.90 0.31 -0.51 0.00 0.00 0.00 175.76 174.71 3k1f s LEU 50 N 2.27 4.30 0.39 0.00 1.43 -1.26 -4.38 118.68 121.43 3k1f s LEU 50 Ca 0.04 0.40 0.03 0.00 -1.03 0.00 0.00 54.13 53.57 3k1f s LEU 50 Cb -0.14 -3.12 -0.01 0.00 0.03 0.00 0.00 46.19 42.95 3k1f s LEU 50 CO -0.08 0.08 0.57 0.54 0.23 0.00 0.00 176.35 177.69 3k1f s ASN 51 N -2.68 5.91 -1.01 2.29 2.20 -1.26 -4.79 114.94 115.60 3k1f s ASN 51 Ca 0.38 0.08 -0.21 0.00 -0.94 0.00 0.00 52.86 52.16 3k1f s ASN 51 Cb -0.12 -1.42 -0.10 0.00 -2.00 0.00 0.00 41.25 37.61 3k1f s ASN 51 CO 0.27 -0.57 1.93 0.18 -2.94 0.00 0.00 177.10 175.98 3k1f n LEU 52 N -1.87 3.96 0.00 3.54 4.77 -1.26 -2.22 117.00 123.92 3k1f n LEU 52 Ca 0.00 -3.16 0.00 0.00 -0.03 0.00 0.00 56.01 52.83 3k1f n LEU 52 Cb 0.58 -1.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.24 3k1f n LEU 52 CO 0.45 -0.77 0.00 -1.54 -1.33 0.00 0.00 177.39 174.20 3k1f n SER 53 N 9.99 0.00 -0.24 -1.43 3.41 -1.26 -0.69 113.62 123.41 3k1f n SER 53 Ca 0.48 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 59.08 3k1f n SER 53 Cb 0.43 0.00 0.10 0.00 -0.26 0.00 0.00 64.21 64.48 3k1f n SER 53 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3k1f h GLU 54 N 0.00 0.69 0.27 4.33 4.81 -1.74 -0.77 114.58 122.17 3k1f h GLU 54 Ca 0.00 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3k1f h GLU 54 Cb 0.00 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 3k1f h GLU 54 CO 0.00 0.46 -0.20 0.00 -0.73 0.00 0.00 179.01 178.54 3k1f h ALA 55 N 1.36 -0.46 -0.87 2.92 0.00 -1.77 -1.16 119.26 119.28 3k1f h ALA 55 Ca 0.31 -0.08 0.14 0.00 0.00 0.00 0.00 54.91 55.28 3k1f h ALA 55 Cb 0.19 0.27 -0.09 0.00 0.00 0.00 0.00 17.79 18.16 3k1f h ALA 55 CO -0.18 -0.77 0.48 -0.09 0.00 0.00 0.00 179.25 178.68 3k1f h ARG 56 N -0.47 0.68 -0.49 0.00 2.43 -1.65 -1.13 114.38 113.74 3k1f h ARG 56 Ca -0.02 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.09 3k1f h ARG 56 Cb 0.42 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 3k1f h ARG 56 CO -0.01 0.45 0.24 -0.07 -1.51 0.00 0.00 179.97 179.07 3k1f h LEU 57 N 0.70 0.64 -0.08 3.80 3.38 -0.68 -0.35 115.31 122.72 3k1f h LEU 57 Ca 0.46 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.31 3k1f h LEU 57 Cb 0.60 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 3k1f h LEU 57 CO -0.33 0.58 0.04 0.58 0.09 0.00 0.00 178.44 179.40 3k1f h VAL 58 N 0.65 1.10 0.12 1.22 2.07 -0.09 -0.54 116.25 120.77 3k1f h VAL 58 Ca 0.17 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 3k1f h VAL 58 Cb 0.11 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 3k1f h VAL 58 CO -0.02 0.08 -0.06 0.40 0.02 0.00 0.00 177.57 177.99 3k1f h ILE 59 N 0.02 0.87 -0.69 4.57 2.04 -1.19 -1.17 117.51 121.96 3k1f h ILE 59 Ca 0.03 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.91 3k1f h ILE 59 Cb 0.10 0.87 -0.04 0.00 -0.74 0.00 0.00 36.82 37.01 3k1f h ILE 59 CO -0.00 0.00 0.46 0.11 0.00 0.00 0.00 178.15 178.71 3k1f h LYS 60 N -0.17 0.86 0.26 2.37 1.57 -0.98 -0.83 116.57 119.65 3k1f h LYS 60 Ca -0.01 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 3k1f h LYS 60 Cb 0.13 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.25 3k1f h LYS 60 CO 0.02 0.57 -0.13 1.49 -0.57 0.00 0.00 179.45 180.83 3k1f h GLU 61 N 0.88 -0.34 0.00 3.15 4.57 -0.79 -2.51 114.58 119.54 3k1f h GLU 61 Ca 0.27 0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.44 3k1f h GLU 61 Cb -0.01 0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 28.65 3k1f h GLU 61 CO -0.07 -0.06 -0.13 0.00 -1.18 0.00 0.00 179.01 177.58 3k1f h ALA 62 N 0.04 1.34 0.04 2.92 0.00 -0.92 -1.02 119.26 121.66 3k1f h ALA 62 Ca -0.04 -0.12 -0.25 0.00 0.00 0.00 0.00 54.91 54.50 3k1f h ALA 62 Cb 0.44 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.22 3k1f h ALA 62 CO 0.06 0.16 -1.06 -0.07 0.00 0.00 0.00 179.25 178.34 3k1f h LEU 63 N 0.00 0.63 -0.44 0.00 3.38 -1.11 -2.37 115.31 115.41 3k1f h LEU 63 Ca -0.00 -0.55 -0.11 0.00 0.09 0.00 0.00 57.88 57.31 3k1f h LEU 63 Cb 0.33 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3k1f h LEU 63 CO 0.02 1.36 -0.16 0.58 0.09 0.00 0.00 178.44 180.33 3k1f h VAL 64 N 0.24 1.27 0.00 1.22 2.07 -1.13 -1.45 116.25 118.47 3k1f h VAL 64 Ca -0.12 -1.30 0.00 0.00 0.82 0.00 0.00 66.70 66.11 3k1f h VAL 64 Cb 1.72 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 32.68 3k1f h VAL 64 CO 0.19 0.44 0.00 -0.33 0.02 0.00 0.00 177.57 177.89 3k1f h GLU 65 N 0.71 0.00 0.16 1.57 3.07 -1.20 -0.96 114.58 117.93 3k1f h GLU 65 Ca 0.10 0.00 -0.35 0.00 -0.50 0.00 0.00 59.36 58.62 3k1f h GLU 65 Cb 0.72 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.63 3k1f h GLU 65 CO 0.05 0.00 -1.75 -0.09 -1.40 0.00 0.00 179.01 175.82 3k1f h ARG 66 N 0.00 0.35 -0.69 2.33 2.43 -1.32 -1.26 114.38 116.22 3k1f h ARG 66 Ca 0.00 -0.59 0.00 0.00 -0.81 0.00 0.00 59.98 58.58 3k1f h ARG 66 Cb 0.54 0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 30.28 3k1f h ARG 66 CO 0.00 1.26 0.43 -0.09 -1.51 0.00 0.00 179.97 180.06 3k1f h ARG 67 N 0.09 0.92 0.17 0.20 2.43 -1.04 -1.20 114.38 115.96 3k1f h ARG 67 Ca -0.34 -0.07 -0.26 0.00 -0.81 0.00 0.00 59.98 58.50 3k1f h ARG 67 Cb 2.08 -0.20 0.02 0.00 -0.42 0.00 0.00 29.97 31.45 3k1f h ARG 67 CO 0.16 0.63 -1.22 0.00 -1.51 0.00 0.00 179.97 178.03 3k1f h ARG 68 N 0.94 0.37 -0.14 0.20 3.08 -1.29 -3.27 114.38 114.28 3k1f h ARG 68 Ca 0.25 -0.63 0.04 0.00 0.07 0.00 0.00 59.98 59.71 3k1f h ARG 68 Cb -0.07 0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 3k1f h ARG 68 CO -0.05 1.30 0.14 0.00 -1.07 0.00 0.00 179.97 180.29 3k1f h ALA 69 N 0.08 1.78 0.01 0.04 0.00 -0.95 -1.37 119.26 118.84 3k1f h ALA 69 Ca -0.23 -0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.44 3k1f h ALA 69 Cb 1.87 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.63 3k1f h ALA 69 CO 0.17 -0.21 -1.21 0.74 0.00 0.00 0.00 179.25 178.74 3k1f h PHE 70 N 0.00 0.02 0.00 0.00 -1.00 -1.34 -3.35 116.94 111.28 3k1f h PHE 70 Ca 0.06 -0.01 -0.09 0.00 2.81 0.00 0.00 57.97 60.74 3k1f h PHE 70 Cb 0.35 -0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.89 3k1f h PHE 70 CO 0.00 1.01 -0.42 0.87 -1.61 0.00 0.00 178.31 178.17 3k1f h LYS 71 N 0.00 0.00 0.02 1.51 1.57 -1.29 -1.96 116.57 116.42 3k1f h LYS 71 Ca -0.09 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.69 3k1f h LYS 71 Cb 1.85 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.16 3k1f h LYS 71 CO 0.12 0.42 -0.01 0.00 -0.57 0.00 0.00 179.45 179.41 3k1f h ARG 72 N 0.00 -0.02 -0.05 3.15 3.08 -1.68 -3.15 114.38 115.71 3k1f h ARG 72 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3k1f h ARG 72 Cb 0.80 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.85 3k1f h ARG 72 CO 0.05 0.41 0.00 -1.13 -1.07 0.00 0.00 179.97 178.24 3k1f n SER 73 N -4.89 0.34 0.11 7.04 3.41 -1.20 -3.50 113.62 114.93 3k1f n SER 73 Ca -0.08 -1.78 0.03 0.00 -0.26 0.00 0.00 58.87 56.77 3k1f n SER 73 Cb 0.23 -0.03 -0.00 0.00 -0.26 0.00 0.00 64.21 64.15 3k1f n SER 73 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3k1f h GLN 74 N 0.40 0.00 0.00 4.33 1.08 -1.31 -3.39 115.11 116.22 3k1f h GLN 74 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3k1f h GLN 74 Cb 0.09 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.52 3k1f h GLN 74 CO 0.00 0.38 0.00 1.63 -0.95 0.00 0.00 178.83 179.89 3k1f n LYS 75 N -3.09 0.00 -0.40 1.46 4.01 -1.23 -5.09 118.16 113.82 3k1f n LYS 75 Ca -0.01 0.39 0.00 0.00 -0.51 0.00 0.00 58.31 58.17 3k1f n LYS 75 Cb 0.74 -1.15 0.00 0.00 -0.51 0.00 0.00 35.03 34.11 3k1f n LYS 75 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 3k1f n LYS 76 N -1.66 0.00 -3.62 1.97 4.76 -1.26 -5.20 118.16 113.15 3k1f n LYS 76 Ca 0.00 -0.71 -0.36 0.00 -2.87 0.00 0.00 58.31 54.38 3k1f n LYS 76 Cb 0.00 -0.39 -0.07 0.00 -1.84 0.00 0.00 35.03 32.73 3k1f n LYS 76 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 3k1f s THR 118 N 0.00 5.35 0.00 -0.18 2.01 -1.26 -4.79 115.64 116.77 3k1f s THR 118 Ca 0.00 0.39 0.00 0.00 0.31 0.00 0.00 61.69 62.39 3k1f s THR 118 Cb 0.00 -3.56 0.00 0.00 0.01 0.00 0.00 72.50 68.95 3k1f s THR 118 CO 0.00 0.41 0.00 -1.14 -0.69 0.00 0.00 174.62 173.20 3k1f n ARG 119 N 3.54 0.00 -0.05 4.92 0.63 -1.26 -3.74 116.66 120.70 3k1f n ARG 119 Ca -0.14 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.66 3k1f n ARG 119 Cb 0.52 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 33.35 3k1f n ARG 119 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 3k1f h GLU 120 N 0.00 0.32 -0.90 -0.14 4.22 -1.99 -3.25 114.58 112.83 3k1f h GLU 120 Ca 0.00 -0.19 0.06 0.00 0.08 0.00 0.00 59.36 59.31 3k1f h GLU 120 Cb 0.00 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.21 3k1f h GLU 120 CO 0.00 0.75 0.59 0.87 -2.18 0.00 0.00 179.01 179.04 3k1f h LYS 121 N -0.09 1.01 -0.32 1.92 1.57 -2.01 -2.76 116.57 115.89 3k1f h LYS 121 Ca 0.01 -0.06 0.03 0.00 -1.87 0.00 0.00 60.65 58.77 3k1f h LYS 121 Cb 0.72 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.77 3k1f h LYS 121 CO 0.04 0.67 0.12 0.93 -0.57 0.00 0.00 179.45 180.64 3k1f h GLU 122 N 1.04 0.26 -0.43 3.15 5.08 -1.84 -1.23 114.58 120.62 3k1f h GLU 122 Ca 0.38 -0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.81 3k1f h GLU 122 Cb 0.17 -0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.29 3k1f h GLU 122 CO -0.14 0.17 -0.01 -0.07 -1.00 0.00 0.00 179.01 177.96 3k1f h LEU 123 N 0.26 -0.20 -0.95 1.33 -0.00 -1.53 -0.04 115.31 114.19 3k1f h LEU 123 Ca 0.14 0.10 -0.10 0.00 -0.00 0.00 0.00 57.88 58.02 3k1f h LEU 123 Cb 0.10 0.19 -0.01 0.00 -0.00 0.00 0.00 40.66 40.94 3k1f h LEU 123 CO -0.14 -0.06 -0.34 -0.33 -0.00 0.00 0.00 178.44 177.57 3k1f h GLU 124 N 0.10 0.34 -0.18 1.13 5.08 -1.52 -1.49 114.58 118.04 3k1f h GLU 124 Ca 0.21 -0.15 -0.12 0.00 -1.00 0.00 0.00 59.36 58.30 3k1f h GLU 124 Cb 0.31 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.55 3k1f h GLU 124 CO -0.36 0.65 -0.37 0.66 -1.00 0.00 0.00 179.01 178.59 3k1f h SER 125 N 0.30 0.64 -0.60 1.42 4.64 -0.48 -3.09 113.55 116.38 3k1f h SER 125 Ca 0.04 -0.55 -0.01 0.00 -0.47 0.00 0.00 61.79 60.79 3k1f h SER 125 Cb 0.75 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 62.63 3k1f h SER 125 CO 0.06 1.07 0.33 0.40 -0.87 0.00 0.00 176.83 177.82 3k1f h ILE 126 N 0.23 1.20 -0.34 0.95 2.04 -1.00 -1.51 117.51 119.07 3k1f h ILE 126 Ca 0.00 -0.50 0.07 0.00 1.00 0.00 0.00 64.86 65.44 3k1f h ILE 126 Cb 0.97 0.43 -0.08 0.00 -0.74 0.00 0.00 36.82 37.40 3k1f h ILE 126 CO 0.08 0.21 -0.28 0.44 0.00 0.00 0.00 178.15 178.60 3k1f h ASP 127 N 0.81 -0.93 0.57 1.72 3.45 -1.29 -0.59 116.42 120.16 3k1f h ASP 127 Ca 0.21 0.17 -0.02 0.00 0.43 0.00 0.00 57.03 57.82 3k1f h ASP 127 Cb 0.05 0.44 -0.00 0.00 -0.56 0.00 0.00 39.33 39.26 3k1f h ASP 127 CO -0.03 -0.30 -0.32 0.58 -1.57 0.00 0.00 179.24 177.60 3k1f h VAL 128 N -0.24 0.35 -0.68 -1.35 2.07 -1.41 -2.16 116.25 112.81 3k1f h VAL 128 Ca 0.16 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.72 3k1f h VAL 128 Cb 0.51 0.35 -0.05 0.00 -1.52 0.00 0.00 31.29 30.57 3k1f h VAL 128 CO -0.48 0.00 0.42 0.25 0.02 0.00 0.00 177.57 177.78 3k1f h LEU 129 N -0.83 0.67 -0.34 2.57 5.85 -1.04 -2.90 115.31 119.29 3k1f h LEU 129 Ca -0.07 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.66 3k1f h LEU 129 Cb 0.66 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 3k1f h LEU 129 CO 0.09 0.46 0.21 -0.07 -0.34 0.00 0.00 178.44 178.79 3k1f h LEU 130 N 0.81 0.36 -0.21 2.25 3.38 -1.06 -0.82 115.31 120.02 3k1f h LEU 130 Ca 0.28 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 3k1f h LEU 130 Cb 0.06 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3k1f h LEU 130 CO -0.12 0.26 0.00 -0.62 0.09 0.00 0.00 178.44 178.05 3k1f n GLU 131 N -4.87 0.02 -0.09 1.13 1.02 -0.82 -1.24 120.64 115.80 3k1f n GLU 131 Ca -0.00 0.47 -0.18 0.00 -0.02 0.00 0.00 57.16 57.43 3k1f n GLU 131 Cb 0.04 -1.57 -0.07 0.00 -0.02 0.00 0.00 31.44 29.82 3k1f n GLU 131 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3k1f n GLN 132 N -1.62 0.39 0.19 3.49 6.02 -0.88 -4.70 117.38 120.28 3k1f n GLN 132 Ca 0.00 0.15 0.07 0.00 -0.01 0.00 0.00 57.00 57.22 3k1f n GLN 132 Cb 0.04 -1.18 0.28 0.00 1.02 0.00 0.00 30.24 30.40 3k1f n GLN 132 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.06 177.84 3k1f h THR 133 N -0.52 0.65 -2.11 5.09 1.35 -1.02 -3.46 112.91 112.89 3k1f h THR 133 Ca -0.44 -1.52 -0.58 0.00 -0.55 0.00 0.00 66.41 63.32 3k1f h THR 133 Cb 1.44 2.02 -0.11 0.00 -1.73 0.00 0.00 68.15 69.77 3k1f h THR 133 CO -0.24 0.31 -0.66 0.42 -0.25 0.00 0.00 175.52 175.10 3k1f s THR 134 N -3.39 2.92 -0.62 6.82 -4.23 -0.37 -5.08 115.64 111.70 3k1f s THR 134 Ca 0.02 -2.05 0.01 0.00 -1.18 0.00 0.00 61.69 58.49 3k1f s THR 134 Cb 0.09 -2.69 0.40 0.00 1.34 0.00 0.00 72.50 71.64 3k1f s THR 134 CO 0.68 -0.32 1.63 0.61 -0.54 0.00 0.00 174.62 176.68 3k1f n GLY 135 N -0.85 5.85 4.45 3.99 0.00 -1.26 -4.75 105.19 112.62 3k1f n GLY 135 Ca -0.05 -2.57 0.00 0.00 0.00 0.00 0.00 46.02 43.40 3k1f n GLY 135 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k1f n GLY 136 N -0.60 0.62 0.39 -0.02 0.00 -1.26 -4.69 105.19 99.63 3k1f n GLY 136 Ca 0.49 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.70 3k1f n GLY 136 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 3k1f h ASN 137 N 0.00 0.51 0.00 1.61 -1.07 -2.02 -2.92 115.58 111.69 3k1f h ASN 137 Ca 0.00 0.07 0.00 0.00 0.07 0.00 0.00 56.30 56.44 3k1f h ASN 137 Cb 0.00 -0.02 0.00 0.00 -2.07 0.00 0.00 38.32 36.23 3k1f h ASN 137 CO 0.00 0.16 0.00 0.59 0.07 0.00 0.00 177.43 178.25 3k1f n ASN 138 N -4.61 2.58 -0.34 6.14 3.02 -1.26 -4.43 115.26 116.36 3k1f n ASN 138 Ca 0.23 -1.56 0.25 0.00 -0.03 0.00 0.00 54.58 53.46 3k1f n ASN 138 Cb 0.74 -0.49 0.53 0.00 -0.61 0.00 0.00 39.78 39.95 3k1f n ASN 138 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 3k1f h LYS 139 N 1.12 0.33 0.23 3.52 2.10 -1.93 0.22 116.57 122.16 3k1f h LYS 139 Ca 0.00 -0.02 -0.01 0.00 -2.00 0.00 0.00 60.65 58.62 3k1f h LYS 139 Cb 0.67 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 31.93 3k1f h LYS 139 CO 0.00 0.22 -0.11 -0.44 -2.00 0.00 0.00 179.45 177.12 3k1f h ASP 140 N 0.34 -0.26 -0.75 7.07 3.32 -1.91 -1.60 116.42 122.64 3k1f h ASP 140 Ca 0.63 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.63 3k1f h ASP 140 Cb 1.67 0.07 -0.04 0.00 0.22 0.00 0.00 39.33 41.25 3k1f h ASP 140 CO -0.32 -0.14 0.39 0.25 -1.72 0.00 0.00 179.24 177.71 3k1f h LEU 141 N -0.36 0.96 -0.15 1.55 5.85 -0.99 -0.64 115.31 121.53 3k1f h LEU 141 Ca -0.03 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 3k1f h LEU 141 Cb 0.27 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 3k1f h LEU 141 CO 0.05 0.79 0.04 0.11 -0.34 0.00 0.00 178.44 179.09 3k1f h LYS 142 N 1.07 0.24 -0.84 1.25 1.57 -1.05 0.95 116.57 119.75 3k1f h LYS 142 Ca 0.27 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.98 3k1f h LYS 142 Cb 0.06 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.30 3k1f h LYS 142 CO -0.04 0.39 0.50 -0.91 -0.57 0.00 0.00 179.45 178.82 3k1f h ASN 143 N 0.05 1.02 -0.14 0.86 2.35 -1.03 -1.43 115.58 117.26 3k1f h ASN 143 Ca 0.05 -0.08 -0.08 0.00 -0.55 0.00 0.00 56.30 55.64 3k1f h ASN 143 Cb 0.26 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 3k1f h ASN 143 CO 0.00 0.80 -0.15 0.74 -1.65 0.00 0.00 177.43 177.18 3k1f h THR 144 N 1.16 1.24 -0.33 2.81 2.02 -0.93 -0.99 112.91 117.88 3k1f h THR 144 Ca 0.30 -1.08 -0.08 0.00 0.77 0.00 0.00 66.41 66.32 3k1f h THR 144 Cb -0.02 1.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 3k1f h THR 144 CO -0.05 0.35 -0.11 0.24 0.37 0.00 0.00 175.52 176.31 3k1f h MET 145 N 0.48 0.66 -0.36 6.66 2.86 -0.03 -0.16 114.93 125.03 3k1f h MET 145 Ca 0.08 -0.27 -0.02 0.00 -2.06 0.00 0.00 59.70 57.43 3k1f h MET 145 Cb 0.53 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.15 3k1f h MET 145 CO 0.03 0.85 0.13 1.96 1.06 0.00 0.00 176.91 180.95 3k1f h GLN 146 N 0.44 0.55 -0.13 1.72 4.20 -1.07 -1.05 115.11 119.77 3k1f h GLN 146 Ca 0.08 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 3k1f h GLN 146 Cb 0.63 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 3k1f h GLN 146 CO 0.04 0.55 0.06 -0.92 -0.67 0.00 0.00 178.83 177.88 3k1f h TYR 147 N 0.43 0.19 -0.58 2.96 3.20 -1.17 -1.12 116.97 120.88 3k1f h TYR 147 Ca 0.12 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.92 3k1f h TYR 147 Cb 0.21 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.40 3k1f h TYR 147 CO 0.00 0.26 0.12 -0.07 -1.64 0.00 0.00 178.16 176.83 3k1f h LEU 148 N 0.07 0.87 -0.75 2.82 3.38 -0.98 -0.65 115.31 120.06 3k1f h LEU 148 Ca 0.04 -0.17 -0.11 0.00 0.09 0.00 0.00 57.88 57.73 3k1f h LEU 148 Cb 0.14 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 3k1f h LEU 148 CO -0.00 0.85 -0.54 0.00 0.09 0.00 0.00 178.44 178.84 3k1f h THR 149 N 0.88 1.20 0.31 0.22 1.03 -1.11 -2.65 112.91 112.79 3k1f h THR 149 Ca 0.19 -1.96 -0.02 0.00 -0.01 0.00 0.00 66.41 64.61 3k1f h THR 149 Cb 0.34 2.11 0.00 0.00 -1.07 0.00 0.00 68.15 69.54 3k1f h THR 149 CO 0.00 0.53 -0.15 0.78 -0.01 0.00 0.00 175.52 176.67 3k1f h ASN 150 N 0.00 -0.35 -0.30 0.00 2.35 -0.89 -3.34 115.58 113.05 3k1f h ASN 150 Ca -0.01 0.01 -0.15 0.00 -0.55 0.00 0.00 56.30 55.61 3k1f h ASN 150 Cb 1.07 0.09 -0.09 0.00 0.05 0.00 0.00 38.32 39.44 3k1f h ASN 150 CO 0.07 -0.02 0.19 0.49 -1.65 0.00 0.00 177.43 176.51 3k1f n PHE 151 N -4.41 0.93 -2.09 1.19 3.01 -0.28 -4.93 117.46 110.87 3k1f n PHE 151 Ca -0.05 -0.88 -0.42 0.00 1.01 0.00 0.00 57.45 57.11 3k1f n PHE 151 Cb 0.16 -0.45 -0.03 0.00 -0.01 0.00 0.00 39.48 39.15 3k1f n PHE 151 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 3k1f s SER 152 N 0.27 6.73 -0.07 4.37 0.01 -1.00 -4.74 113.70 119.28 3k1f s SER 152 Ca 0.17 2.23 -0.24 0.00 1.31 0.00 0.00 55.95 59.42 3k1f s SER 152 Cb 0.15 -2.55 -0.29 0.00 0.21 0.00 0.00 66.02 63.54 3k1f s SER 152 CO 0.03 -0.83 0.88 0.03 0.41 0.00 0.00 173.24 173.76 3k1f h ARG 153 N 8.50 0.20 -3.70 12.44 3.08 -1.22 -3.45 114.38 130.23 3k1f h ARG 153 Ca -0.39 -0.32 -0.49 0.00 0.07 0.00 0.00 59.98 58.85 3k1f h ARG 153 Cb 1.18 0.12 -0.39 0.00 0.08 0.00 0.00 29.97 30.96 3k1f h ARG 153 CO 0.93 1.13 -0.77 -0.06 -1.07 0.00 0.00 179.97 180.13 3k1f s PHE 154 N -2.46 0.95 -0.35 3.04 0.40 -1.26 -3.72 117.98 114.57 3k1f s PHE 154 Ca -0.15 -0.57 0.04 0.00 -0.60 0.00 0.00 56.93 55.64 3k1f s PHE 154 Cb -0.00 -0.96 0.37 0.00 0.51 0.00 0.00 43.02 42.94 3k1f s PHE 154 CO 0.78 -0.48 1.37 0.54 0.70 0.00 0.00 175.22 178.13 3k1f n ARG 155 N 5.07 2.09 -3.90 0.44 1.74 -1.26 -4.70 116.66 116.14 3k1f n ARG 155 Ca -0.09 -1.58 -0.16 0.00 -0.77 0.00 0.00 57.85 55.26 3k1f n ARG 155 Cb 0.49 -1.70 -0.16 0.00 -1.02 0.00 0.00 32.46 30.07 3k1f n ARG 155 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3k1f s ASP 156 N -0.26 0.29 0.58 0.55 1.01 -1.26 -5.03 116.67 112.54 3k1f s ASP 156 Ca 0.29 -0.01 0.27 0.00 0.71 0.00 0.00 52.55 53.81 3k1f s ASP 156 Cb 0.24 -0.14 1.67 0.00 1.01 0.00 0.00 42.92 45.70 3k1f s ASP 156 CO 0.07 -0.08 2.19 -0.61 0.21 0.00 0.00 175.17 176.94 3k1f h GLN 157 N 7.03 0.00 0.41 8.23 5.75 -1.98 -0.13 115.11 134.42 3k1f h GLN 157 Ca -0.40 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.08 3k1f h GLN 157 Cb 1.14 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.70 3k1f h GLN 157 CO 0.48 0.00 -0.20 0.93 -2.65 0.00 0.00 178.83 177.40 3k1f h GLU 158 N 0.00 -0.53 -0.64 1.69 3.07 -1.98 -1.26 114.58 114.93 3k1f h GLU 158 Ca 0.03 0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 58.91 3k1f h GLU 158 Cb 0.17 0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 28.17 3k1f h GLU 158 CO -0.00 -0.25 0.32 1.79 -1.40 0.00 0.00 179.01 179.47 3k1f h THR 159 N -1.04 1.22 -0.88 1.13 1.35 -1.88 -1.50 112.91 111.31 3k1f h THR 159 Ca -0.06 -0.60 -0.01 0.00 -0.55 0.00 0.00 66.41 65.19 3k1f h THR 159 Cb 0.53 0.43 -0.04 0.00 -1.73 0.00 0.00 68.15 67.33 3k1f h THR 159 CO 0.09 0.25 0.50 0.58 -0.25 0.00 0.00 175.52 176.70 3k1f h VAL 160 N 0.88 1.25 0.24 6.82 2.07 -1.11 -0.60 116.25 125.80 3k1f h VAL 160 Ca 0.22 -0.58 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 3k1f h VAL 160 Cb 0.10 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 29.91 3k1f h VAL 160 CO -0.03 0.27 -0.12 1.23 0.02 0.00 0.00 177.57 178.94 3k1f h GLY 161 N 1.23 -0.34 1.02 2.17 0.00 -0.80 -0.45 103.07 105.90 3k1f h GLY 161 Ca 0.31 0.13 0.05 0.00 0.00 0.00 0.00 47.33 47.82 3k1f h GLY 161 CO -0.05 -0.12 0.52 0.00 0.00 0.00 0.00 176.54 176.89 3k1f h ALA 162 N 0.33 1.57 0.16 3.60 0.00 -0.95 -0.65 119.26 123.33 3k1f h ALA 162 Ca -0.03 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3k1f h ALA 162 Cb 0.31 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3k1f h ALA 162 CO 0.06 0.32 -0.08 0.28 0.00 0.00 0.00 179.25 179.83 3k1f h VAL 163 N 0.92 0.89 -0.56 0.00 2.07 -0.93 -1.47 116.25 117.17 3k1f h VAL 163 Ca 0.33 -0.23 0.04 0.00 0.82 0.00 0.00 66.70 67.65 3k1f h VAL 163 Cb 0.14 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 3k1f h VAL 163 CO -0.11 0.06 0.37 0.40 0.02 0.00 0.00 177.57 178.31 3k1f h ILE 164 N -0.33 1.06 -0.32 4.57 2.04 -0.26 0.57 117.51 124.83 3k1f h ILE 164 Ca -0.02 -0.22 -0.05 0.00 1.00 0.00 0.00 64.86 65.57 3k1f h ILE 164 Cb 0.26 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 3k1f h ILE 164 CO 0.04 0.12 0.01 1.56 0.00 0.00 0.00 178.15 179.87 3k1f h GLN 165 N 0.64 0.56 -0.18 2.37 7.50 -0.96 0.93 115.11 125.97 3k1f h GLN 165 Ca 0.23 -0.18 -0.08 0.00 0.50 0.00 0.00 58.65 59.12 3k1f h GLN 165 Cb 0.11 -0.05 -0.01 0.00 0.05 0.00 0.00 27.48 27.58 3k1f h GLN 165 CO -0.06 0.69 -0.24 1.25 -1.50 0.00 0.00 178.83 178.97 3k1f h LEU 166 N 0.37 0.32 0.07 1.46 5.85 -0.22 -3.19 115.31 119.97 3k1f h LEU 166 Ca 0.09 -0.10 -0.25 0.00 0.84 0.00 0.00 57.88 58.46 3k1f h LEU 166 Cb 0.43 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 3k1f h LEU 166 CO 0.01 0.57 -1.33 -0.07 -0.34 0.00 0.00 178.44 177.29 3k1f h LEU 167 N 0.30 0.24 -1.62 2.25 3.38 -0.75 -3.35 115.31 115.76 3k1f h LEU 167 Ca 0.05 -0.77 0.00 0.00 0.09 0.00 0.00 57.88 57.24 3k1f h LEU 167 Cb 0.59 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3k1f h LEU 167 CO 0.04 1.56 0.00 0.11 0.09 0.00 0.00 178.44 180.24 3k1f h LYS 168 N -0.52 0.00 0.00 1.13 1.79 -0.92 -0.88 116.57 117.17 3k1f h LYS 168 Ca -0.31 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.16 3k1f h LYS 168 Cb 1.60 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.25 3k1f h LYS 168 CO -0.02 0.00 0.00 -1.13 -1.08 0.00 0.00 179.45 177.22 3k1f n SER 169 N -2.48 0.23 -0.04 0.86 3.41 -1.21 -3.44 113.62 110.96 3k1f n SER 169 Ca -0.01 0.54 -0.15 0.00 -0.26 0.00 0.00 58.87 59.00 3k1f n SER 169 Cb 0.10 -0.60 -0.09 0.00 -0.26 0.00 0.00 64.21 63.36 3k1f n SER 169 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 3k1f h THR 170 N 0.00 1.40 0.00 6.66 1.35 -1.35 -3.47 112.91 117.49 3k1f h THR 170 Ca 0.00 -1.63 0.00 0.00 -0.55 0.00 0.00 66.41 64.23 3k1f h THR 170 Cb 0.38 2.19 0.00 0.00 -1.73 0.00 0.00 68.15 68.99 3k1f h THR 170 CO 0.00 0.48 0.00 0.61 -0.25 0.00 0.00 175.52 176.36 3k1f n GLY 171 N 0.57 0.79 3.82 5.82 0.00 -1.22 -5.06 105.19 109.91 3k1f n GLY 171 Ca -0.08 -0.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 3k1f n GLY 171 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k1f s LEU 172 N 0.00 4.26 0.31 0.99 1.43 -1.26 -5.04 118.68 119.37 3k1f s LEU 172 Ca 0.00 1.47 -0.27 0.00 -1.03 0.00 0.00 54.13 54.31 3k1f s LEU 172 Cb 0.00 -3.81 -0.14 0.00 0.03 0.00 0.00 46.19 42.27 3k1f s LEU 172 CO 0.00 -0.06 0.82 1.57 0.23 0.00 0.00 176.35 178.91 3k1f n HIS 173 N 0.39 0.55 -0.33 0.29 -0.00 -1.26 -4.62 115.22 110.25 3k1f n HIS 173 Ca 0.00 0.73 0.16 0.00 -0.00 0.00 0.00 57.72 58.61 3k1f n HIS 173 Cb 0.51 -2.14 0.36 0.00 -0.00 0.00 0.00 29.99 28.73 3k1f n HIS 173 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3k1f h PRO 174 N 1.51 0.45 -0.75 1.57 0.11 -1.95 -0.48 132.00 132.46 3k1f h PRO 174 Ca -0.38 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.65 3k1f h PRO 174 Cb 1.37 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.35 3k1f h PRO 174 CO 0.58 0.30 0.23 0.35 -0.21 0.00 0.00 178.00 179.24 3k1f h PHE 175 N 0.46 1.20 -0.19 0.65 3.57 -1.91 0.15 116.94 120.87 3k1f h PHE 175 Ca 0.62 -0.12 -0.03 0.00 3.53 0.00 0.00 57.97 61.97 3k1f h PHE 175 Cb 1.21 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 39.60 3k1f h PHE 175 CO -0.07 0.95 0.01 0.93 -2.23 0.00 0.00 178.31 177.90 3k1f h GLU 176 N 1.11 0.33 -0.34 1.11 5.08 -1.49 -0.39 114.58 119.99 3k1f h GLU 176 Ca 0.24 -0.10 0.05 0.00 -1.00 0.00 0.00 59.36 58.54 3k1f h GLU 176 Cb 0.31 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.49 3k1f h GLU 176 CO -0.01 0.52 0.09 0.28 -1.00 0.00 0.00 179.01 178.89 3k1f h VAL 177 N 0.10 0.86 -0.11 3.13 2.07 -0.84 0.34 116.25 121.80 3k1f h VAL 177 Ca 0.06 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 3k1f h VAL 177 Cb 0.37 0.63 -0.00 0.00 -1.52 0.00 0.00 31.29 30.76 3k1f h VAL 177 CO 0.01 0.04 0.02 0.00 0.02 0.00 0.00 177.57 177.66 3k1f h ALA 178 N 1.24 0.14 -0.58 1.67 0.00 -0.68 -2.24 119.26 118.81 3k1f h ALA 178 Ca 0.16 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 3k1f h ALA 178 Cb 0.16 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3k1f h ALA 178 CO -0.19 -0.22 0.07 1.96 0.00 0.00 0.00 179.25 180.86 3k1f h GLN 179 N -0.03 0.95 0.00 0.00 1.08 -0.86 -0.78 115.11 115.46 3k1f h GLN 179 Ca 0.03 -0.25 -0.00 0.00 -1.45 0.00 0.00 58.65 56.98 3k1f h GLN 179 Cb 0.26 -0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 27.57 3k1f h GLN 179 CO 0.00 0.90 -0.02 -0.07 -0.95 0.00 0.00 178.83 178.69 3k1f h LEU 180 N 0.89 0.00 -0.18 1.46 3.38 -0.92 -1.26 115.31 118.68 3k1f h LEU 180 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3k1f h LEU 180 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3k1f h LEU 180 CO 0.01 0.02 -0.60 0.61 0.09 0.00 0.00 178.44 178.57 3k1f n GLY 181 N -0.15 -0.94 0.02 0.83 0.00 -0.64 -4.32 105.19 99.98 3k1f n GLY 181 Ca -0.00 -0.46 0.02 0.00 0.00 0.00 0.00 46.02 45.58 3k1f n GLY 181 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3k1f n SER 182 N -1.21 2.84 -4.62 1.61 3.41 -0.39 -4.39 113.62 110.87 3k1f n SER 182 Ca 0.07 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.31 3k1f n SER 182 Cb 0.35 1.21 -0.10 0.00 -0.26 0.00 0.00 64.21 65.41 3k1f n SER 182 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3k1f s LEU 183 N -3.96 3.96 -1.19 1.04 1.43 -0.53 -4.80 118.68 114.64 3k1f s LEU 183 Ca -0.04 0.05 -0.14 0.00 -1.03 0.00 0.00 54.13 52.97 3k1f s LEU 183 Cb 0.05 -2.06 0.17 0.00 0.03 0.00 0.00 46.19 44.38 3k1f s LEU 183 CO 0.38 0.05 1.41 0.00 0.23 0.00 0.00 176.35 178.42 3k1f s ALA 184 N 1.13 3.98 0.41 4.21 0.00 -1.26 -4.80 121.76 125.42 3k1f s ALA 184 Ca 0.07 -3.34 -0.00 0.00 0.00 0.00 0.00 51.96 48.69 3k1f s ALA 184 Cb -0.14 -4.11 -0.02 0.00 0.00 0.00 0.00 23.12 18.85 3k1f s ALA 184 CO 0.05 -2.77 0.63 0.00 0.00 0.00 0.00 175.76 173.66 3k1f n ASP 186 N -1.97 4.50 -4.62 0.00 8.00 -1.26 -4.92 116.55 116.28 3k1f n ASP 186 Ca -0.02 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.20 3k1f n ASP 186 Cb 0.57 0.62 -0.09 0.00 -0.02 0.00 0.00 41.12 42.20 3k1f n ASP 186 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3k1f s THR 187 N -1.86 3.54 0.22 -3.53 2.01 -1.26 -4.84 115.64 109.92 3k1f s THR 187 Ca 0.00 -1.33 -0.02 0.00 0.31 0.00 0.00 61.69 60.65 3k1f s THR 187 Cb 0.00 -2.71 0.01 0.00 0.01 0.00 0.00 72.50 69.81 3k1f s THR 187 CO 0.00 0.02 1.60 0.00 -0.69 0.00 0.00 174.62 175.55 3k1f h ALA 188 N 3.22 0.86 -0.30 7.40 0.00 -1.93 -1.39 119.26 127.12 3k1f h ALA 188 Ca -0.48 -0.42 -0.13 0.00 0.00 0.00 0.00 54.91 53.88 3k1f h ALA 188 Cb 1.18 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 3k1f h ALA 188 CO 0.55 0.64 -0.34 0.22 0.00 0.00 0.00 179.25 180.32 3k1f h ASP 189 N 0.51 0.82 -0.52 0.00 1.82 -1.96 -0.80 116.42 116.29 3k1f h ASP 189 Ca 0.05 -0.48 -0.02 0.00 -0.39 0.00 0.00 57.03 56.19 3k1f h ASP 189 Cb 0.86 -0.23 -0.02 0.00 0.68 0.00 0.00 39.33 40.61 3k1f h ASP 189 CO 0.07 1.14 0.25 -0.08 -1.61 0.00 0.00 179.24 179.01 3k1f h GLU 190 N 0.52 0.75 -0.17 0.28 4.81 -1.96 -2.59 114.58 116.23 3k1f h GLU 190 Ca 0.04 -0.11 -0.05 0.00 -0.13 0.00 0.00 59.36 59.11 3k1f h GLU 190 Cb 0.92 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 30.16 3k1f h GLU 190 CO 0.08 0.62 -0.11 0.00 -0.73 0.00 0.00 179.01 178.87 3k1f h ALA 191 N 1.09 0.24 0.00 2.92 0.00 -1.23 -0.86 119.26 121.43 3k1f h ALA 191 Ca 0.18 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3k1f h ALA 191 Cb 0.12 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3k1f h ALA 191 CO -0.02 0.09 0.00 1.63 0.00 0.00 0.00 179.25 180.94 3k1f n LYS 192 N -4.58 0.34 -0.11 0.00 5.02 -0.31 -1.16 118.16 117.36 3k1f n LYS 192 Ca -0.05 0.09 -0.20 0.00 -2.02 0.00 0.00 58.31 56.13 3k1f n LYS 192 Cb 0.33 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 33.75 3k1f n LYS 192 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 3k1f n THR 193 N -1.22 1.20 0.02 -0.18 -1.04 -0.98 -3.89 114.28 108.19 3k1f n THR 193 Ca 0.10 -0.37 -0.08 0.00 -2.04 0.00 0.00 64.05 61.66 3k1f n THR 193 Cb 0.12 -1.55 0.08 0.00 -1.82 0.00 0.00 70.33 67.16 3k1f n THR 193 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3k1f h LEU 194 N -0.44 0.54 -7.64 -4.42 3.38 -1.13 -3.33 115.31 102.27 3k1f h LEU 194 Ca -0.52 -0.29 -0.70 0.00 0.09 0.00 0.00 57.88 56.47 3k1f h LEU 194 Cb 1.59 -0.16 -0.35 0.00 0.09 0.00 0.00 40.66 41.83 3k1f h LEU 194 CO -0.22 0.98 -0.41 -0.63 0.09 0.00 0.00 178.44 178.25 3k1f s ILE 195 N -3.98 3.62 -2.00 1.22 1.01 -0.31 -4.96 121.20 115.80 3k1f s ILE 195 Ca -0.07 -2.71 0.06 0.00 0.00 0.00 0.00 60.65 57.93 3k1f s ILE 195 Cb 0.12 -3.39 0.17 0.00 0.01 0.00 0.00 42.46 39.36 3k1f s ILE 195 CO 0.83 -0.83 1.15 -0.81 0.00 0.00 0.00 174.94 175.28 3k1f n PRO 196 N 3.79 1.41 0.11 2.79 -0.05 -1.25 -3.47 135.00 138.32 3k1f n PRO 196 Ca 0.05 -0.63 0.08 0.00 -0.05 0.00 0.00 63.50 62.95 3k1f n PRO 196 Cb 0.39 -1.14 0.01 0.00 -0.05 0.00 0.00 33.50 32.71 3k1f n PRO 196 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 175.50 176.22 3k1f h SER 197 N 1.03 0.00 0.06 3.54 0.02 -1.83 -3.39 113.55 112.98 3k1f h SER 197 Ca 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3k1f h SER 197 Cb 0.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.78 3k1f h SER 197 CO 0.00 0.20 -0.03 -0.07 -1.14 0.00 0.00 176.83 175.79 3k1f h LEU 198 N 0.00 -0.07 0.00 5.07 3.38 -1.86 -3.45 115.31 118.38 3k1f h LEU 198 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3k1f h LEU 198 Cb 1.19 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.95 3k1f h LEU 198 CO 0.02 -0.04 0.00 0.59 0.09 0.00 0.00 178.44 179.09 3k1f n ASN 199 N -2.25 0.00 -2.37 -0.43 3.02 -1.26 -0.93 115.26 111.03 3k1f n ASN 199 Ca -0.01 0.00 0.01 0.00 -0.03 0.00 0.00 54.58 54.55 3k1f n ASN 199 Cb 0.03 0.00 0.04 0.00 -0.61 0.00 0.00 39.78 39.25 3k1f n ASN 199 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3k1f n ASN 200 N 1.02 1.02 0.07 6.41 2.85 -1.26 -4.82 115.26 120.56 3k1f n ASN 200 Ca 0.00 -2.03 -0.04 0.00 -0.11 0.00 0.00 54.58 52.39 3k1f n ASN 200 Cb 0.00 -0.29 -0.08 0.00 1.24 0.00 0.00 39.78 40.65 3k1f n ASN 200 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 3k1f h LYS 201 N 1.91 0.00 -5.66 1.20 1.57 -1.34 -3.45 116.57 110.79 3k1f h LYS 201 Ca -0.21 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 58.10 3k1f h LYS 201 Cb 1.45 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 33.56 3k1f h LYS 201 CO 0.10 0.80 -0.79 -1.50 -0.57 0.00 0.00 179.45 177.49 3k1f s ILE 202 N -2.77 1.39 0.41 1.86 1.10 -1.26 -5.06 121.20 116.86 3k1f s ILE 202 Ca 0.01 -1.50 -0.25 0.00 -0.51 0.00 0.00 60.65 58.41 3k1f s ILE 202 Cb 0.09 -1.36 -0.08 0.00 0.15 0.00 0.00 42.46 41.25 3k1f s ILE 202 CO 0.80 -0.21 1.14 -0.55 -2.11 0.00 0.00 174.94 174.00 3k1f s SER 203 N -1.99 6.55 0.17 4.50 0.15 -1.26 -4.92 113.70 116.90 3k1f s SER 203 Ca 0.04 2.26 -0.13 0.00 0.70 0.00 0.00 55.95 58.81 3k1f s SER 203 Cb -0.09 -2.61 0.07 0.00 -1.71 0.00 0.00 66.02 61.69 3k1f s SER 203 CO 0.03 -0.65 1.79 0.44 1.20 0.00 0.00 173.24 176.06 3k1f h ASP 204 N 2.55 0.68 -0.34 5.45 3.32 -1.98 -0.16 116.42 125.95 3k1f h ASP 204 Ca -0.49 -0.08 -0.08 0.00 0.02 0.00 0.00 57.03 56.40 3k1f h ASP 204 Cb 1.23 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.60 3k1f h ASP 204 CO 0.62 0.56 -0.11 0.44 -1.72 0.00 0.00 179.24 179.03 3k1f h ASP 205 N 0.74 0.68 -0.38 6.45 3.32 -1.98 -0.73 116.42 124.52 3k1f h ASP 205 Ca 0.20 -0.38 -0.03 0.00 0.02 0.00 0.00 57.03 56.84 3k1f h ASP 205 Cb 0.02 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 3k1f h ASP 205 CO -0.03 0.91 0.14 -0.33 -1.72 0.00 0.00 179.24 178.20 3k1f h GLU 206 N 0.45 0.58 -0.75 3.56 4.39 -1.94 -0.99 114.58 119.89 3k1f h GLU 206 Ca 0.08 -0.12 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 3k1f h GLU 206 Cb 0.62 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 29.15 3k1f h GLU 206 CO 0.04 0.57 0.41 1.25 -1.16 0.00 0.00 179.01 180.13 3k1f h LEU 207 N 0.47 0.93 -0.87 1.33 5.85 -0.95 -1.50 115.31 120.57 3k1f h LEU 207 Ca 0.12 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 3k1f h LEU 207 Cb 0.22 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 3k1f h LEU 207 CO -0.01 0.75 0.44 -0.08 -0.34 0.00 0.00 178.44 179.21 3k1f h GLU 208 N 1.05 1.24 -0.45 1.25 4.57 -0.64 0.53 114.58 122.13 3k1f h GLU 208 Ca 0.27 -0.17 -0.02 0.00 -1.18 0.00 0.00 59.36 58.25 3k1f h GLU 208 Cb 0.03 -0.23 -0.02 0.00 -0.16 0.00 0.00 28.75 28.36 3k1f h GLU 208 CO -0.04 0.93 0.19 0.00 -1.18 0.00 0.00 179.01 178.91 3k1f h ARG 209 N 1.23 0.67 0.18 1.92 3.08 -0.31 0.18 114.38 121.34 3k1f h ARG 209 Ca 0.30 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 60.23 3k1f h ARG 209 Cb 0.08 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.02 3k1f h ARG 209 CO -0.04 0.61 -0.08 0.82 -1.07 0.00 0.00 179.97 180.20 3k1f h ILE 210 N 0.59 0.86 -0.28 2.04 2.04 -0.96 -1.63 117.51 120.17 3k1f h ILE 210 Ca 0.15 -0.17 0.07 0.00 1.00 0.00 0.00 64.86 65.91 3k1f h ILE 210 Cb 0.18 0.97 -0.07 0.00 -0.74 0.00 0.00 36.82 37.15 3k1f h ILE 210 CO -0.01 0.04 -0.22 -0.07 0.00 0.00 0.00 178.15 177.88 3k1f h LEU 211 N -0.31 -0.73 -1.88 1.44 3.38 -0.68 -0.22 115.31 116.31 3k1f h LEU 211 Ca -0.02 0.14 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 3k1f h LEU 211 Cb 0.24 0.35 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 3k1f h LEU 211 CO 0.04 -0.26 -0.12 0.11 0.09 0.00 0.00 178.44 178.30 3k1f h LYS 212 N -0.21 0.00 -0.12 1.13 1.57 -0.57 -2.34 116.57 116.03 3k1f h LYS 212 Ca 0.15 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.70 3k1f h LYS 212 Cb 0.44 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.76 3k1f h LYS 212 CO -0.40 0.12 -0.84 1.49 -0.57 0.00 0.00 179.45 179.25 3k1f h GLU 213 N 0.00 0.77 -0.88 3.15 4.22 -0.08 -3.24 114.58 118.52 3k1f h GLU 213 Ca -0.00 -0.67 0.05 0.00 0.08 0.00 0.00 59.36 58.82 3k1f h GLU 213 Cb 0.25 0.15 -0.06 0.00 0.50 0.00 0.00 28.75 29.60 3k1f h GLU 213 CO 0.02 1.27 0.56 -0.07 -2.18 0.00 0.00 179.01 178.61 3k1f h LEU 214 N 0.51 0.92 -1.76 1.64 -0.00 -0.68 -1.73 115.31 114.21 3k1f h LEU 214 Ca -0.07 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.79 3k1f h LEU 214 Cb 1.47 -0.19 -0.00 0.00 -0.00 0.00 0.00 40.66 41.93 3k1f h LEU 214 CO 0.17 0.61 -0.13 0.77 -0.00 0.00 0.00 178.44 179.87 3k1f h SER 215 N 1.07 0.00 0.36 -0.43 4.64 -1.53 -1.93 113.55 115.73 3k1f h SER 215 Ca 0.37 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.41 3k1f h SER 215 Cb 0.08 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.18 3k1f h SER 215 CO -0.14 0.13 -1.17 0.78 -0.87 0.00 0.00 176.83 175.55 3k1f h ASN 216 N 0.00 0.63 0.64 4.97 2.35 -1.41 -3.23 115.58 119.52 3k1f h ASN 216 Ca -0.00 -0.59 0.00 0.00 -0.55 0.00 0.00 56.30 55.16 3k1f h ASN 216 Cb 0.22 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.40 3k1f h ASN 216 CO 0.02 1.42 0.00 0.18 -1.65 0.00 0.00 177.43 177.40 3k1f n LEU 217 N -3.69 0.51 -4.63 1.61 4.77 -0.71 -4.91 117.00 109.95 3k1f n LEU 217 Ca -0.10 0.63 -0.44 0.00 -0.03 0.00 0.00 56.01 56.07 3k1f n LEU 217 Cb 0.96 -0.57 -0.01 0.00 -2.33 0.00 0.00 43.42 41.47 3k1f n LEU 217 CO 0.55 -0.51 0.70 -0.62 -1.33 0.00 0.00 177.39 176.18 3k1f n GLU 218 N -2.07 1.66 -2.98 3.23 -0.58 -0.88 -4.99 120.64 114.02 3k1f n GLU 218 Ca 0.02 0.58 -0.40 0.00 -0.42 0.00 0.00 57.16 56.94 3k1f n GLU 218 Cb 0.20 -2.03 -0.04 0.00 -0.57 0.00 0.00 31.44 29.00 3k1f n GLU 218 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 3k1f s THR 219 N -1.07 4.99 -0.20 2.62 2.01 -1.24 -5.08 115.64 117.66 3k1f s THR 219 Ca 0.57 1.53 -0.16 0.00 0.31 0.00 0.00 61.69 63.94 3k1f s THR 219 Cb -0.65 -4.08 -0.04 0.00 0.01 0.00 0.00 72.50 67.74 3k1f s THR 219 CO 0.61 0.18 0.42 -0.22 -0.69 0.00 0.00 174.62 174.91 3k1f s LEU 220 N 1.22 4.16 0.00 4.42 0.20 -1.26 -5.00 118.68 122.42 3k1f s LEU 220 Ca 0.38 0.55 0.32 0.00 0.69 0.00 0.00 54.13 56.07 3k1f s LEU 220 Cb -0.18 -2.55 1.86 0.00 -0.43 0.00 0.00 46.19 44.90 3k1f s LEU 220 CO 0.17 -0.08 2.20 -1.22 -0.29 0.00 0.00 176.35 177.13