#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k1n s LYS 2 N 0.00 0.49 0.19 2.12 0.00 -1.26 -4.23 119.74 117.06 2k1n s LYS 2 Ca 0.00 0.67 -0.02 0.00 0.00 0.00 0.00 55.97 56.62 2k1n s LYS 2 Cb 0.00 0.19 -0.04 0.00 0.00 0.00 0.00 37.83 37.99 2k1n s LYS 2 CO 0.00 -0.07 0.16 -1.12 0.00 0.00 0.00 175.35 174.31 2k1n s SER 3 N 0.67 0.15 -0.20 0.03 0.01 -1.26 -5.06 113.70 108.04 2k1n s SER 3 Ca -0.02 -1.29 -0.17 0.00 1.31 0.00 0.00 55.95 55.79 2k1n s SER 3 Cb -0.05 0.39 -0.12 0.00 0.21 0.00 0.00 66.02 66.45 2k1n s SER 3 CO -0.10 -0.85 -0.04 0.41 0.41 0.00 0.00 173.24 173.08 2k1n n THR 4 N -0.25 1.50 -3.59 1.44 -1.04 -1.26 -4.80 114.28 106.28 2k1n n THR 4 Ca -0.00 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.61 2k1n n THR 4 Cb 0.65 -2.14 -0.09 0.00 -1.82 0.00 0.00 70.33 66.92 2k1n n THR 4 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2k1n s GLY 5 N -4.79 2.00 -0.27 3.41 0.00 -1.26 -5.06 107.32 101.36 2k1n s GLY 5 Ca -0.26 -2.34 -0.25 0.00 0.00 0.00 0.00 44.72 41.86 2k1n s GLY 5 CO 0.45 1.03 0.86 -0.42 0.00 0.00 0.00 173.10 175.02 2k1n s ILE 6 N 1.38 4.78 0.10 0.90 1.09 -1.26 -5.02 121.20 123.17 2k1n s ILE 6 Ca 0.04 1.51 -0.30 0.00 -1.10 0.00 0.00 60.65 60.81 2k1n s ILE 6 Cb -0.24 -4.17 -0.06 0.00 -1.06 0.00 0.00 42.46 36.93 2k1n s ILE 6 CO 0.00 -0.17 0.96 -0.69 -0.10 0.00 0.00 174.94 174.95 2k1n s VAL 7 N 2.98 4.53 0.27 2.92 1.01 -1.26 -5.06 120.40 125.79 2k1n s VAL 7 Ca 0.36 2.07 0.05 0.00 0.00 0.00 0.00 61.98 64.46 2k1n s VAL 7 Cb -0.15 -4.32 -0.06 0.00 0.00 0.00 0.00 36.38 31.85 2k1n s VAL 7 CO 0.09 0.30 -0.03 -0.13 0.00 0.00 0.00 175.10 175.34 2k1n s ARG 8 N 0.08 1.50 -0.09 2.72 3.00 -1.26 -5.14 118.95 119.77 2k1n s ARG 8 Ca 0.47 -1.77 -0.19 0.00 0.00 0.00 0.00 55.73 54.24 2k1n s ARG 8 Cb -0.23 -0.97 -0.04 0.00 0.00 0.00 0.00 34.95 33.70 2k1n s ARG 8 CO 0.30 -0.03 0.51 0.15 0.00 0.00 0.00 175.30 176.23 2k1n s LYS 9 N -3.78 4.32 -1.00 3.54 1.02 -1.26 -5.01 119.74 117.57 2k1n s LYS 9 Ca 0.30 0.53 -0.17 0.00 0.02 0.00 0.00 55.97 56.65 2k1n s LYS 9 Cb 0.05 -3.41 0.15 0.00 -0.52 0.00 0.00 37.83 34.10 2k1n s LYS 9 CO 0.11 0.21 1.17 0.08 -0.92 0.00 0.00 175.35 176.00 2k1n s VAL 10 N 0.43 4.92 0.00 3.17 1.01 -1.26 -4.08 120.40 124.59 2k1n s VAL 10 Ca 0.28 -1.97 0.00 0.00 0.00 0.00 0.00 61.98 60.28 2k1n s VAL 10 Cb -0.16 -4.78 0.00 0.00 0.00 0.00 0.00 36.38 31.44 2k1n s VAL 10 CO 0.12 -1.49 0.00 -0.90 0.00 0.00 0.00 175.10 172.84 2k1n n ASP 11 N 5.99 0.00 0.10 3.32 5.75 -1.26 -4.98 116.55 125.47 2k1n n ASP 11 Ca 0.26 -0.50 0.12 0.00 -0.01 0.00 0.00 54.79 54.66 2k1n n ASP 11 Cb 0.47 0.00 0.22 0.00 -1.03 0.00 0.00 41.12 40.78 2k1n n ASP 11 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 2k1n h GLU 12 N 0.00 0.00 -0.01 0.11 4.11 -2.05 -3.26 114.58 113.48 2k1n h GLU 12 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2k1n h GLU 12 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2k1n h GLU 12 CO 0.00 0.00 -0.47 1.28 0.07 0.00 0.00 179.01 179.89 2k1n n LEU 13 N -2.34 1.49 -2.71 3.06 7.99 -1.26 -5.05 117.00 118.18 2k1n n LEU 13 Ca 0.04 -0.70 -0.06 0.00 -0.01 0.00 0.00 56.01 55.27 2k1n n LEU 13 Cb 0.46 0.00 0.01 0.00 -0.11 0.00 0.00 43.42 43.78 2k1n n LEU 13 CO 0.35 0.30 -0.02 0.61 -1.51 0.00 0.00 177.39 177.11 2k1n n GLY 14 N 1.26 -1.63 3.57 -0.72 0.00 -1.23 -4.83 105.19 101.60 2k1n n GLY 14 Ca 0.06 1.05 -0.34 0.00 0.00 0.00 0.00 46.02 46.80 2k1n n GLY 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k1n s ARG 15 N -2.34 3.08 -0.69 1.61 1.81 -1.26 -4.91 118.95 116.25 2k1n s ARG 15 Ca 0.20 -1.10 -0.16 0.00 -1.72 0.00 0.00 55.73 52.94 2k1n s ARG 15 Cb -0.06 -5.28 0.15 0.00 -0.45 0.00 0.00 34.95 29.31 2k1n s ARG 15 CO 0.70 -3.06 0.71 0.08 -0.68 0.00 0.00 175.30 173.05 2k1n s VAL 16 N 7.96 5.20 -0.10 3.52 1.01 -1.26 -4.68 120.40 132.05 2k1n s VAL 16 Ca 0.61 -1.71 0.02 0.00 0.00 0.00 0.00 61.98 60.91 2k1n s VAL 16 Cb -0.01 -4.47 -0.01 0.00 0.00 0.00 0.00 36.38 31.89 2k1n s VAL 16 CO 0.03 -1.06 -0.18 -0.69 0.00 0.00 0.00 175.10 173.21 2k1n s VAL 17 N 1.51 2.63 0.17 2.92 1.01 -1.26 -5.09 120.40 122.29 2k1n s VAL 17 Ca 0.13 -0.83 -0.32 0.00 0.00 0.00 0.00 61.98 60.97 2k1n s VAL 17 Cb -0.19 -2.05 -0.11 0.00 0.00 0.00 0.00 36.38 34.02 2k1n s VAL 17 CO -0.01 0.55 1.78 -0.38 0.00 0.00 0.00 175.10 177.04 2k1n n ILE 18 N 3.31 0.17 -1.59 2.22 -0.00 -1.26 -4.88 119.36 117.32 2k1n n ILE 18 Ca -0.18 -0.03 -0.50 0.00 -0.00 0.00 0.00 62.75 62.03 2k1n n ILE 18 Cb 0.53 -2.06 -0.05 0.00 -0.00 0.00 0.00 39.64 38.05 2k1n n ILE 18 CO 0.00 0.00 0.00 -2.65 -0.00 0.00 0.00 176.55 173.90 2k1n n PRO 19 N 4.76 1.24 0.08 0.38 -0.02 -1.26 -4.89 135.00 135.29 2k1n n PRO 19 Ca 0.17 0.45 0.01 0.00 -2.02 0.00 0.00 63.50 62.10 2k1n n PRO 19 Cb 0.36 -2.05 -0.03 0.00 -0.02 0.00 0.00 33.50 31.76 2k1n n PRO 19 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 2k1n h ILE 20 N 3.11 0.71 0.00 4.25 6.09 -1.99 -3.31 117.51 126.37 2k1n h ILE 20 Ca -0.46 -2.14 0.03 0.00 -1.37 0.00 0.00 64.86 60.92 2k1n h ILE 20 Cb 1.33 2.23 -0.04 0.00 0.47 0.00 0.00 36.82 40.82 2k1n h ILE 20 CO 0.76 0.40 -0.19 -0.33 -3.07 0.00 0.00 178.15 175.72 2k1n h GLU 21 N 0.00 -0.30 0.00 2.19 3.07 -1.90 0.13 114.58 117.77 2k1n h GLU 21 Ca -0.08 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 2k1n h GLU 21 Cb 1.49 0.07 0.00 0.00 -0.84 0.00 0.00 28.75 29.47 2k1n h GLU 21 CO 0.06 -0.20 0.00 1.28 -1.40 0.00 0.00 179.01 178.75 2k1n n LEU 22 N -5.32 0.68 0.02 1.33 4.77 -1.26 -2.13 117.00 115.09 2k1n n LEU 22 Ca -0.05 0.67 -0.07 0.00 -0.03 0.00 0.00 56.01 56.53 2k1n n LEU 22 Cb 0.24 -0.57 -0.12 0.00 -2.33 0.00 0.00 43.42 40.64 2k1n n LEU 22 CO 0.24 -0.56 -0.24 0.03 -1.33 0.00 0.00 177.39 175.53 2k1n h ARG 23 N 0.00 0.00 0.00 3.23 3.08 -1.15 0.86 114.38 120.40 2k1n h ARG 23 Ca 0.00 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.86 2k1n h ARG 23 Cb 0.37 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.40 2k1n h ARG 23 CO 0.00 0.63 -0.89 0.00 -1.07 0.00 0.00 179.97 178.64 2k1n h ARG 24 N 0.00 0.00 0.00 0.04 2.47 -0.29 -2.82 114.38 113.78 2k1n h ARG 24 Ca -0.17 0.00 -0.13 0.00 -1.26 0.00 0.00 59.98 58.42 2k1n h ARG 24 Cb 1.86 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 30.17 2k1n h ARG 24 CO 0.09 0.89 -0.96 0.25 0.56 0.00 0.00 179.97 180.80 2k1n n THR 25 N -3.48 1.48 -0.11 2.04 -2.24 -1.01 -4.81 114.28 106.14 2k1n n THR 25 Ca -0.00 0.08 -0.23 0.00 -2.27 0.00 0.00 64.05 61.62 2k1n n THR 25 Cb 0.84 -2.21 -0.08 0.00 -2.10 0.00 0.00 70.33 66.79 2k1n n THR 25 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2k1n n LEU 26 N -4.51 1.76 0.00 3.22 4.77 -0.71 -5.07 117.00 116.47 2k1n n LEU 26 Ca -0.21 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 2k1n n LEU 26 Cb 0.49 -0.72 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 2k1n n LEU 26 CO 0.14 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 2k1n n GLY 27 N 1.49 0.55 3.76 -0.72 0.00 0.21 -4.96 105.19 105.53 2k1n n GLY 27 Ca -0.42 -0.04 -0.37 0.00 0.00 0.00 0.00 46.02 45.19 2k1n n GLY 27 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2k1n s ILE 28 N -0.99 2.61 0.29 -0.61 -4.36 -1.23 -4.95 121.20 111.97 2k1n s ILE 28 Ca 0.00 0.44 -0.29 0.00 -0.26 0.00 0.00 60.65 60.54 2k1n s ILE 28 Cb 0.00 -3.21 -0.10 0.00 1.25 0.00 0.00 42.46 40.39 2k1n s ILE 28 CO 0.00 -0.03 1.41 0.00 0.24 0.00 0.00 174.94 176.56 2k1n s ALA 29 N -1.47 3.58 0.00 2.27 0.00 -1.26 -4.85 121.76 120.03 2k1n s ALA 29 Ca 0.70 1.35 0.00 0.00 0.00 0.00 0.00 51.96 54.01 2k1n s ALA 29 Cb -0.33 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.24 2k1n s ALA 29 CO 0.39 -0.76 0.00 -0.85 0.00 0.00 0.00 175.76 174.54 2k1n n GLU 30 N 1.60 0.25 -2.52 0.00 0.00 -1.26 -4.96 120.64 113.75 2k1n n GLU 30 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 57.16 56.80 2k1n n GLU 30 Cb 0.40 -0.82 -0.03 0.00 0.00 0.00 0.00 31.44 31.00 2k1n n GLU 30 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 2k1n s LYS 31 N -1.64 3.57 0.07 3.44 1.02 -1.26 -4.85 119.74 120.08 2k1n s LYS 31 Ca 0.00 -1.23 -0.06 0.00 0.02 0.00 0.00 55.97 54.70 2k1n s LYS 31 Cb 0.00 -5.37 0.02 0.00 -0.52 0.00 0.00 37.83 31.96 2k1n s LYS 31 CO 0.00 -2.34 0.31 -0.40 -0.92 0.00 0.00 175.35 172.00 2k1n n ASP 32 N 9.26 -0.56 -4.60 2.83 5.75 -1.26 -5.14 116.55 122.83 2k1n n ASP 32 Ca 0.37 -1.31 -0.38 0.00 -0.01 0.00 0.00 54.79 53.46 2k1n n ASP 32 Cb 0.50 0.91 -0.10 0.00 -1.03 0.00 0.00 41.12 41.39 2k1n n ASP 32 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2k1n s ALA 33 N -1.32 3.54 -0.13 2.12 0.00 -1.26 -5.07 121.76 119.64 2k1n s ALA 33 Ca 0.07 -1.02 -0.04 0.00 0.00 0.00 0.00 51.96 50.97 2k1n s ALA 33 Cb -0.01 -2.51 -0.03 0.00 0.00 0.00 0.00 23.12 20.56 2k1n s ALA 33 CO 0.02 -0.54 0.01 -0.51 0.00 0.00 0.00 175.76 174.74 2k1n s LEU 34 N 1.76 3.59 -0.37 0.00 1.02 -1.26 -4.80 118.68 118.62 2k1n s LEU 34 Ca 0.09 0.07 -0.16 0.00 0.02 0.00 0.00 54.13 54.15 2k1n s LEU 34 Cb -0.16 -1.86 -0.00 0.00 0.02 0.00 0.00 46.19 44.19 2k1n s LEU 34 CO 0.10 0.27 0.41 -1.83 0.02 0.00 0.00 176.35 175.33 2k1n s GLU 35 N -0.24 3.43 -0.76 1.70 -1.05 -0.85 -4.93 118.70 116.00 2k1n s GLU 35 Ca 0.06 -0.47 -0.23 0.00 -0.15 0.00 0.00 54.97 54.19 2k1n s GLU 35 Cb -0.12 -3.85 0.07 0.00 -0.44 0.00 0.00 34.13 29.79 2k1n s GLU 35 CO 0.02 -0.65 1.10 0.42 0.95 0.00 0.00 175.26 177.10 2k1n s ILE 36 N 2.13 4.26 -0.20 1.83 1.01 -1.26 -1.87 121.20 127.09 2k1n s ILE 36 Ca 0.13 -0.51 -0.08 0.00 0.00 0.00 0.00 60.65 60.19 2k1n s ILE 36 Cb -0.16 -4.78 -0.04 0.00 0.01 0.00 0.00 42.46 37.48 2k1n s ILE 36 CO 0.13 -1.58 0.08 -0.47 0.00 0.00 0.00 174.94 173.09 2k1n s TYR 37 N 4.16 3.24 0.21 3.97 5.04 -0.44 -4.92 117.35 128.62 2k1n s TYR 37 Ca 0.29 0.03 -0.26 0.00 -2.44 0.00 0.00 57.07 54.69 2k1n s TYR 37 Cb -0.11 -2.14 -0.08 0.00 0.35 0.00 0.00 41.96 39.98 2k1n s TYR 37 CO 0.05 0.06 0.83 0.14 -1.34 0.00 0.00 175.55 175.29 2k1n s VAL 38 N 0.67 4.30 -0.17 3.14 -7.23 -1.26 0.41 120.40 120.26 2k1n s VAL 38 Ca 0.04 1.76 -0.07 0.00 -1.81 0.00 0.00 61.98 61.91 2k1n s VAL 38 Cb -0.13 -4.14 0.07 0.00 0.56 0.00 0.00 36.38 32.74 2k1n s VAL 38 CO 0.02 0.44 0.37 -0.62 -0.31 0.00 0.00 175.10 175.00 2k1n s ASP 39 N -1.26 -0.20 0.56 4.85 2.15 0.47 -4.91 116.67 118.33 2k1n s ASP 39 Ca 0.39 0.85 0.00 0.00 0.43 0.00 0.00 52.55 54.22 2k1n s ASP 39 Cb -0.23 0.98 0.00 0.00 -0.30 0.00 0.00 42.92 43.38 2k1n s ASP 39 CO 0.27 -0.22 0.00 -0.67 -0.17 0.00 0.00 175.17 174.38 2k1n n ASP 40 N 4.98 0.00 -0.10 -0.34 2.03 -1.26 -1.23 116.55 120.62 2k1n n ASP 40 Ca -0.13 0.00 0.01 0.00 0.52 0.00 0.00 54.79 55.18 2k1n n ASP 40 Cb 0.51 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.93 2k1n n ASP 40 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 2k1n n GLU 41 N 0.00 0.79 -4.41 -0.67 -0.00 -1.26 -5.08 120.64 110.00 2k1n n GLU 41 Ca 0.00 -1.00 -0.23 0.00 -0.00 0.00 0.00 57.16 55.93 2k1n n GLU 41 Cb 0.00 -0.70 -0.08 0.00 -0.00 0.00 0.00 31.44 30.66 2k1n n GLU 41 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.13 175.54 2k1n s LYS 42 N -0.48 1.85 0.03 3.44 0.00 -0.37 -5.17 119.74 119.06 2k1n s LYS 42 Ca 0.03 -2.11 0.08 0.00 0.00 0.00 0.00 55.97 53.96 2k1n s LYS 42 Cb 0.02 -0.19 -0.02 0.00 0.00 0.00 0.00 37.83 37.64 2k1n s LYS 42 CO 0.00 -0.56 -0.22 0.96 0.00 0.00 0.00 175.35 175.53 2k1n s ILE 43 N -3.32 1.76 -0.23 3.79 -4.36 -1.26 -0.39 121.20 117.18 2k1n s ILE 43 Ca 0.31 -1.18 0.00 0.00 -0.26 0.00 0.00 60.65 59.52 2k1n s ILE 43 Cb 0.02 -1.51 0.03 0.00 1.25 0.00 0.00 42.46 42.25 2k1n s ILE 43 CO 0.20 0.29 -0.12 -0.63 0.24 0.00 0.00 174.94 174.92 2k1n s ILE 44 N -0.75 2.47 -0.61 8.37 1.01 0.16 -4.95 121.20 126.91 2k1n s ILE 44 Ca 0.08 -1.10 -0.19 0.00 0.00 0.00 0.00 60.65 59.45 2k1n s ILE 44 Cb -0.09 -2.22 0.11 0.00 0.01 0.00 0.00 42.46 40.27 2k1n s ILE 44 CO 0.01 0.28 0.72 -0.76 0.00 0.00 0.00 174.94 175.19 2k1n s LEU 45 N 1.27 5.43 0.08 2.97 1.02 -1.25 -1.32 118.68 126.87 2k1n s LEU 45 Ca 0.00 -1.50 -0.21 0.00 0.02 0.00 0.00 54.13 52.44 2k1n s LEU 45 Cb -0.16 -2.30 -0.07 0.00 0.02 0.00 0.00 46.19 43.68 2k1n s LEU 45 CO -0.07 -1.10 0.61 -0.54 0.02 0.00 0.00 176.35 175.27 2k1n s LYS 46 N 2.60 4.28 0.00 1.70 1.02 -0.78 -4.84 119.74 123.72 2k1n s LYS 46 Ca 0.12 0.81 0.00 0.00 0.02 0.00 0.00 55.97 56.93 2k1n s LYS 46 Cb -0.23 -3.26 0.00 0.00 -0.52 0.00 0.00 37.83 33.82 2k1n s LYS 46 CO 0.05 0.59 0.00 0.36 -0.92 0.00 0.00 175.35 175.43 2k1n n LYS 47 N 1.83 0.00 -4.14 1.68 2.85 -1.26 -2.01 118.16 117.10 2k1n n LYS 47 Ca -0.09 0.00 -0.31 0.00 -1.05 0.00 0.00 58.31 56.86 2k1n n LYS 47 Cb 0.50 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 34.81 2k1n n LYS 47 CO 0.00 0.00 0.00 1.52 -0.05 0.00 0.00 177.40 178.87 2k1n s TYR 48 N -3.36 3.03 -0.37 5.58 1.13 -1.26 -5.10 117.35 117.01 2k1n s TYR 48 Ca 0.00 0.01 -0.07 0.00 -1.41 0.00 0.00 57.07 55.59 2k1n s TYR 48 Cb 0.00 -1.57 0.05 0.00 -1.10 0.00 0.00 41.96 39.34 2k1n s TYR 48 CO 0.00 0.48 0.16 -1.59 -2.51 0.00 0.00 175.55 172.09 2k1n s LYS 49 N -2.20 2.58 0.22 -3.49 -2.85 -1.26 -4.92 119.74 107.82 2k1n s LYS 49 Ca 0.25 -1.30 -0.07 0.00 -1.00 0.00 0.00 55.97 53.85 2k1n s LYS 49 Cb -0.12 -3.57 0.18 0.00 -2.06 0.00 0.00 37.83 32.26 2k1n s LYS 49 CO 0.18 -0.78 1.77 -1.00 0.10 0.00 0.00 175.35 175.62 2k1n h PRO 50 N 8.27 1.14 -4.75 1.78 0.13 -1.99 -3.39 132.00 133.19 2k1n h PRO 50 Ca -0.22 -0.23 -0.69 0.00 -0.87 0.00 0.00 66.00 63.99 2k1n h PRO 50 Cb 1.08 -0.17 -0.32 0.00 0.13 0.00 0.00 31.00 31.72 2k1n h PRO 50 CO 0.66 0.95 -0.68 1.21 -0.23 0.00 0.00 178.00 179.91 2k1n s ASN 51 N -6.42 5.00 0.00 1.44 3.84 -1.26 -4.90 114.94 112.64 2k1n s ASN 51 Ca -0.12 -1.23 0.11 0.00 0.21 0.00 0.00 52.86 51.84 2k1n s ASN 51 Cb 0.15 -1.75 0.11 0.00 -0.55 0.00 0.00 41.25 39.21 2k1n s ASN 51 CO 0.84 -0.27 0.89 0.80 -2.79 0.00 0.00 177.10 176.57 2k1n n MET 52 N 4.67 0.77 -0.91 0.43 0.00 -1.26 -4.47 117.12 116.35 2k1n n MET 52 Ca -0.13 -1.25 -0.17 0.00 -0.00 0.00 0.00 57.70 56.15 2k1n n MET 52 Cb 0.44 -1.22 0.03 0.00 0.00 0.00 0.00 33.22 32.46 2k1n n MET 52 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 2k1n n THR 53 N 0.64 2.78 -2.28 1.12 -2.24 -1.26 -4.82 114.28 108.22 2k1n n THR 53 Ca 0.07 -1.68 -0.01 0.00 -2.27 0.00 0.00 64.05 60.16 2k1n n THR 53 Cb 0.30 -1.36 0.00 0.00 -2.10 0.00 0.00 70.33 67.17 2k1n n THR 53 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50