#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 4.24 -0.20 0.03 2.47 -1.26 -3.89 119.74 121.13 2k1n s LYS 2 Ca 0.00 2.33 0.06 0.00 -1.56 0.00 0.00 55.97 56.80 2k1n s LYS 2 Cb 0.00 -3.14 0.46 0.00 -1.46 0.00 0.00 37.83 33.69 2k1n s LYS 2 CO 0.00 -0.53 1.38 0.43 0.16 0.00 0.00 175.35 176.80 2k1n n SER 3 N 3.27 3.71 -3.74 1.43 7.64 -1.26 -4.49 113.62 120.19 2k1n n SER 3 Ca 0.11 -2.73 -0.40 0.00 1.01 0.00 0.00 58.87 56.85 2k1n n SER 3 Cb 0.39 -0.65 0.00 0.00 -1.01 0.00 0.00 64.21 62.95 2k1n n SER 3 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2k1n n THR 4 N 0.02 5.31 -1.48 0.44 -1.04 -1.26 -4.75 114.28 111.51 2k1n n THR 4 Ca 0.25 -5.89 0.00 0.00 -2.04 0.00 0.00 64.05 56.37 2k1n n THR 4 Cb 0.99 -1.81 0.00 0.00 -1.82 0.00 0.00 70.33 67.69 2k1n n THR 4 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2k1n n GLY 5 N 0.60 -0.13 3.42 3.41 0.00 -1.26 -5.07 105.19 106.15 2k1n n GLY 5 Ca 0.35 -0.22 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 2k1n n GLY 5 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2k1n s ILE 6 N -2.99 3.22 -0.57 -0.61 -4.36 -1.26 -5.07 121.20 109.55 2k1n s ILE 6 Ca 0.00 -0.61 -0.25 0.00 -0.26 0.00 0.00 60.65 59.52 2k1n s ILE 6 Cb 0.00 -2.35 0.04 0.00 1.25 0.00 0.00 42.46 41.40 2k1n s ILE 6 CO 0.00 0.53 1.03 -0.69 0.24 0.00 0.00 174.94 176.05 2k1n s VAL 7 N 0.14 4.25 -0.11 8.37 1.01 -1.26 -5.01 120.40 127.79 2k1n s VAL 7 Ca -0.06 0.41 -0.00 0.00 0.00 0.00 0.00 61.98 62.33 2k1n s VAL 7 Cb -0.15 -4.62 -0.02 0.00 0.00 0.00 0.00 36.38 31.59 2k1n s VAL 7 CO 0.04 -1.23 -0.10 -0.13 0.00 0.00 0.00 175.10 173.68 2k1n s ARG 8 N 4.31 3.20 0.10 2.72 0.52 -1.26 -5.11 118.95 123.44 2k1n s ARG 8 Ca 0.33 -0.62 -0.22 0.00 -0.52 0.00 0.00 55.73 54.70 2k1n s ARG 8 Cb -0.11 -2.65 -0.07 0.00 0.52 0.00 0.00 34.95 32.64 2k1n s ARG 8 CO 0.20 0.37 0.67 -1.59 0.02 0.00 0.00 175.30 174.97 2k1n s LYS 9 N -0.02 4.38 0.69 3.54 0.00 -1.26 -5.07 119.74 122.00 2k1n s LYS 9 Ca -0.02 0.93 -0.07 0.00 0.00 0.00 0.00 55.97 56.82 2k1n s LYS 9 Cb -0.14 -3.27 0.05 0.00 0.00 0.00 0.00 37.83 34.48 2k1n s LYS 9 CO 0.03 0.55 1.00 0.14 0.00 0.00 0.00 175.35 177.08 2k1n s VAL 10 N -0.93 2.47 0.00 1.79 -7.23 -1.26 -4.98 120.40 110.26 2k1n s VAL 10 Ca 0.33 -0.22 0.00 0.00 -1.81 0.00 0.00 61.98 60.27 2k1n s VAL 10 Cb -0.21 -3.07 0.00 0.00 0.56 0.00 0.00 36.38 33.66 2k1n s VAL 10 CO 0.22 -0.07 0.00 0.47 -0.31 0.00 0.00 175.10 175.41 2k1n n ASP 11 N -2.88 0.80 -0.20 4.85 9.92 -1.21 -4.92 116.55 122.91 2k1n n ASP 11 Ca 0.08 -0.81 0.23 0.00 -0.53 0.00 0.00 54.79 53.76 2k1n n ASP 11 Cb 0.60 0.00 0.61 0.00 -0.64 0.00 0.00 41.12 41.69 2k1n n ASP 11 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 2k1n h GLU 12 N 0.00 0.21 -0.00 -1.24 4.57 -1.99 0.28 114.58 116.40 2k1n h GLU 12 Ca 0.00 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 2k1n h GLU 12 Cb 0.00 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.54 2k1n h GLU 12 CO 0.00 0.14 -0.00 1.28 -1.18 0.00 0.00 179.01 179.24 2k1n n LEU 13 N -4.41 0.27 -2.54 1.64 7.99 -1.26 -4.89 117.00 113.79 2k1n n LEU 13 Ca 0.19 -0.07 -0.20 0.00 -0.01 0.00 0.00 56.01 55.92 2k1n n LEU 13 Cb 0.81 -0.02 0.02 0.00 -0.11 0.00 0.00 43.42 44.11 2k1n n LEU 13 CO 0.34 0.04 -0.08 0.61 -1.51 0.00 0.00 177.39 176.79 2k1n n GLY 14 N 1.06 -0.41 3.57 -0.72 0.00 0.97 -5.00 105.19 104.66 2k1n n GLY 14 Ca 0.22 -0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.99 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 -5.37 1.93 0.25 1.61 0.52 -1.26 -4.91 118.95 111.71 2k1n s ARG 15 Ca 0.18 -1.80 0.01 0.00 -0.52 0.00 0.00 55.73 53.60 2k1n s ARG 15 Cb -0.08 -1.83 -0.00 0.00 0.52 0.00 0.00 34.95 33.55 2k1n s ARG 15 CO 0.22 0.19 0.02 0.28 0.02 0.00 0.00 175.30 176.04 2k1n n VAL 16 N -0.83 0.00 -4.07 3.52 0.31 -1.26 -3.32 118.33 112.68 2k1n n VAL 16 Ca -0.05 -1.26 -0.11 0.00 -0.01 0.00 0.00 64.34 62.91 2k1n n VAL 16 Cb 0.62 0.31 -0.11 0.00 -0.91 0.00 0.00 33.84 33.75 2k1n n VAL 16 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 2k1n s VAL 17 N -2.08 0.46 0.12 2.52 -7.23 -1.26 -5.09 120.40 107.84 2k1n s VAL 17 Ca 0.03 -1.29 -0.21 0.00 -1.81 0.00 0.00 61.98 58.71 2k1n s VAL 17 Cb 0.00 -0.84 -0.07 0.00 0.56 0.00 0.00 36.38 36.03 2k1n s VAL 17 CO 0.02 -0.56 0.65 0.27 -0.31 0.00 0.00 175.10 175.17 2k1n s ILE 18 N -2.09 4.62 0.99 -0.62 -4.36 -1.26 -5.07 121.20 113.41 2k1n s ILE 18 Ca -0.05 1.34 -0.12 0.00 -0.26 0.00 0.00 60.65 61.56 2k1n s ILE 18 Cb -0.05 -3.95 0.19 0.00 1.25 0.00 0.00 42.46 39.89 2k1n s ILE 18 CO -0.02 0.49 1.08 -2.84 0.24 0.00 0.00 174.94 173.89 2k1n s PRO 19 N -1.27 0.46 0.11 0.37 0.02 -1.26 -4.84 135.00 128.59 2k1n s PRO 19 Ca 0.33 0.68 -0.18 0.00 0.02 0.00 0.00 61.00 61.85 2k1n s PRO 19 Cb -0.20 -1.73 -0.05 0.00 0.02 0.00 0.00 34.50 32.54 2k1n s PRO 19 CO 0.21 -2.75 1.67 0.82 -0.33 0.00 0.00 177.00 176.62 2k1n h ILE 20 N -1.92 1.17 -0.67 2.83 1.08 -1.97 -1.72 117.51 116.31 2k1n h ILE 20 Ca -0.54 -0.50 0.13 0.00 -0.39 0.00 0.00 64.86 63.57 2k1n h ILE 20 Cb 1.32 0.97 -0.10 0.00 -3.07 0.00 0.00 36.82 35.94 2k1n h ILE 20 CO 0.55 0.17 0.17 -0.33 -0.69 0.00 0.00 178.15 178.02 2k1n h GLU 21 N 0.31 0.28 -0.34 2.37 5.08 -1.94 -0.97 114.58 119.38 2k1n h GLU 21 Ca 0.10 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 2k1n h GLU 21 Cb 0.16 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 2k1n h GLU 21 CO -0.01 0.19 0.11 1.25 -1.00 0.00 0.00 179.01 179.55 2k1n h LEU 22 N 0.29 0.49 -2.21 1.33 5.85 -1.83 0.00 115.31 119.24 2k1n h LEU 22 Ca 0.36 -0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.89 2k1n h LEU 22 Cb 0.57 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.47 2k1n h LEU 22 CO -0.44 0.56 0.02 0.03 -0.34 0.00 0.00 178.44 178.28 2k1n h ARG 23 N 0.40 0.00 0.00 1.25 2.47 -0.31 0.62 114.38 118.80 2k1n h ARG 23 Ca 0.11 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.82 2k1n h ARG 23 Cb 0.24 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.56 2k1n h ARG 23 CO -0.00 0.00 -1.22 0.54 0.56 0.00 0.00 179.97 179.85 2k1n n ARG 24 N -4.20 0.62 -2.04 0.04 5.12 -0.48 -4.28 116.66 111.43 2k1n n ARG 24 Ca -0.02 0.07 -0.08 0.00 -1.93 0.00 0.00 57.85 55.88 2k1n n ARG 24 Cb 0.12 -1.77 0.06 0.00 -1.16 0.00 0.00 32.46 29.70 2k1n n ARG 24 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 2k1n n THR 25 N -2.61 1.73 -0.02 0.55 -1.04 -0.05 -4.83 114.28 108.01 2k1n n THR 25 Ca -0.01 -3.23 0.01 0.00 -2.04 0.00 0.00 64.05 58.78 2k1n n THR 25 Cb 0.57 0.10 0.34 0.00 -1.82 0.00 0.00 70.33 69.52 2k1n n THR 25 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2k1n h LEU 26 N 2.01 0.51 0.00 -4.42 3.38 0.01 -3.46 115.31 113.35 2k1n h LEU 26 Ca 0.07 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2k1n h LEU 26 Cb 1.42 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.03 2k1n h LEU 26 CO 0.37 0.49 0.00 0.61 0.09 0.00 0.00 178.44 180.00 2k1n n GLY 27 N -1.13 2.78 3.86 0.83 0.00 -1.26 -4.98 105.19 105.28 2k1n n GLY 27 Ca 0.03 -0.03 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.78 4.70 -0.14 -0.61 -4.36 -1.26 -1.89 121.20 115.86 2k1n s ILE 28 Ca 0.00 0.87 0.18 0.00 -0.26 0.00 0.00 60.65 61.44 2k1n s ILE 28 Cb 0.00 -3.64 -0.14 0.00 1.25 0.00 0.00 42.46 39.93 2k1n s ILE 28 CO 0.00 -0.28 0.78 0.00 0.24 0.00 0.00 174.94 175.68 2k1n n ALA 29 N -0.63 2.04 -2.18 2.27 0.00 -1.26 -4.93 120.51 115.82 2k1n n ALA 29 Ca 0.03 -0.55 -0.11 0.00 0.00 0.00 0.00 53.44 52.82 2k1n n ALA 29 Cb 0.53 -0.92 -0.10 0.00 0.00 0.00 0.00 19.45 18.97 2k1n n ALA 29 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2k1n s GLU 30 N -2.99 0.83 -0.78 0.00 0.41 -1.26 -5.09 118.70 109.82 2k1n s GLU 30 Ca -0.03 -1.33 -0.24 0.00 -0.41 0.00 0.00 54.97 52.96 2k1n s GLU 30 Cb 0.09 -0.21 0.06 0.00 -1.78 0.00 0.00 34.13 32.29 2k1n s GLU 30 CO 0.82 -0.02 1.19 -1.59 -0.49 0.00 0.00 175.26 175.17 2k1n s LYS 31 N -3.81 3.27 0.00 1.61 0.00 -1.26 -4.95 119.74 114.60 2k1n s LYS 31 Ca 0.12 -0.75 0.00 0.00 0.00 0.00 0.00 55.97 55.34 2k1n s LYS 31 Cb 0.05 -4.47 0.00 0.00 0.00 0.00 0.00 37.83 33.41 2k1n s LYS 31 CO -0.05 -2.01 0.00 -3.47 0.00 0.00 0.00 175.35 169.82 2k1n n ASP 32 N 8.44 0.71 -4.64 0.03 2.03 -1.26 -5.09 116.55 116.77 2k1n n ASP 32 Ca 0.08 0.00 -0.39 0.00 0.52 0.00 0.00 54.79 55.00 2k1n n ASP 32 Cb 0.48 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.81 2k1n n ASP 32 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k1n s ALA 33 N -2.16 3.56 0.26 -1.67 0.00 -1.26 -5.07 121.76 115.42 2k1n s ALA 33 Ca 0.00 -0.56 0.03 0.00 0.00 0.00 0.00 51.96 51.42 2k1n s ALA 33 Cb 0.00 -2.77 -0.03 0.00 0.00 0.00 0.00 23.12 20.32 2k1n s ALA 33 CO 0.00 -0.52 0.41 -0.51 0.00 0.00 0.00 175.76 175.14 2k1n s LEU 34 N 1.80 4.22 -0.40 0.00 1.43 -1.26 -4.67 118.68 119.81 2k1n s LEU 34 Ca 0.20 0.24 -0.23 0.00 -1.03 0.00 0.00 54.13 53.31 2k1n s LEU 34 Cb -0.15 -3.04 0.02 0.00 0.03 0.00 0.00 46.19 43.04 2k1n s LEU 34 CO 0.09 -0.12 0.79 -1.61 0.23 0.00 0.00 176.35 175.72 2k1n s GLU 35 N -3.92 3.63 -0.35 1.70 0.41 -0.32 -4.97 118.70 114.87 2k1n s GLU 35 Ca 0.36 0.16 -0.13 0.00 -0.41 0.00 0.00 54.97 54.96 2k1n s GLU 35 Cb -0.10 -3.86 -0.01 0.00 -1.78 0.00 0.00 34.13 28.39 2k1n s GLU 35 CO 0.31 -0.95 0.24 0.42 -0.49 0.00 0.00 175.26 174.79 2k1n s ILE 36 N 3.18 5.18 -0.47 -1.63 1.01 -1.26 -0.80 121.20 126.41 2k1n s ILE 36 Ca 0.31 -0.32 -0.07 0.00 0.00 0.00 0.00 60.65 60.57 2k1n s ILE 36 Cb -0.13 -3.70 0.12 0.00 0.01 0.00 0.00 42.46 38.77 2k1n s ILE 36 CO 0.19 -0.05 0.31 -0.31 0.00 0.00 0.00 174.94 175.08 2k1n s TYR 37 N 1.70 3.49 -0.31 3.97 2.02 -0.23 -4.98 117.35 123.01 2k1n s TYR 37 Ca 0.06 -2.13 -0.26 0.00 -0.37 0.00 0.00 57.07 54.37 2k1n s TYR 37 Cb -0.18 -3.39 0.01 0.00 -0.40 0.00 0.00 41.96 38.00 2k1n s TYR 37 CO 0.10 -0.98 0.89 0.08 -1.57 0.00 0.00 175.55 174.08 2k1n s VAL 38 N 1.15 4.69 -0.14 0.71 1.01 -1.26 0.23 120.40 126.80 2k1n s VAL 38 Ca 0.08 1.40 -0.02 0.00 0.00 0.00 0.00 61.98 63.44 2k1n s VAL 38 Cb -0.24 -4.24 0.04 0.00 0.00 0.00 0.00 36.38 31.94 2k1n s VAL 38 CO -0.02 -0.32 0.00 -0.62 0.00 0.00 0.00 175.10 174.13 2k1n s ASP 39 N 1.61 2.37 0.12 3.32 2.15 0.64 -4.99 116.67 121.90 2k1n s ASP 39 Ca 0.37 -0.49 0.00 0.00 0.43 0.00 0.00 52.55 52.86 2k1n s ASP 39 Cb -0.13 -0.61 0.00 0.00 -0.30 0.00 0.00 42.92 41.87 2k1n s ASP 39 CO 0.13 -0.23 0.00 -0.67 -0.17 0.00 0.00 175.17 174.23 2k1n n ASP 40 N 5.05 0.00 0.00 -0.34 2.03 -1.26 -1.41 116.55 120.62 2k1n n ASP 40 Ca -0.09 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.22 2k1n n ASP 40 Cb 0.48 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.88 2k1n n ASP 40 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2k1n n GLU 41 N 0.00 1.40 -4.15 -0.67 1.02 -1.26 -5.05 120.64 111.93 2k1n n GLU 41 Ca 0.00 -0.98 -0.16 0.00 -0.02 0.00 0.00 57.16 56.00 2k1n n GLU 41 Cb 0.00 -0.84 -0.12 0.00 -0.02 0.00 0.00 31.44 30.46 2k1n n GLU 41 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 2k1n s LYS 42 N -0.52 0.64 -0.30 3.49 0.00 -0.50 -5.12 119.74 117.43 2k1n s LYS 42 Ca 0.00 -0.70 -0.05 0.00 0.00 0.00 0.00 55.97 55.22 2k1n s LYS 42 Cb 0.00 -0.53 0.03 0.00 0.00 0.00 0.00 37.83 37.33 2k1n s LYS 42 CO 0.00 0.12 0.05 0.42 0.00 0.00 0.00 175.35 175.94 2k1n s ILE 43 N -1.06 3.56 -0.66 3.79 1.01 -1.26 -0.26 121.20 126.33 2k1n s ILE 43 Ca -0.04 -0.98 -0.20 0.00 0.00 0.00 0.00 60.65 59.42 2k1n s ILE 43 Cb -0.08 -2.92 0.10 0.00 0.01 0.00 0.00 42.46 39.57 2k1n s ILE 43 CO 0.01 0.00 0.84 -0.63 0.00 0.00 0.00 174.94 175.16 2k1n s ILE 44 N 1.40 4.67 -0.39 2.92 1.01 0.14 -4.91 121.20 126.05 2k1n s ILE 44 Ca -0.00 -0.90 -0.23 0.00 0.00 0.00 0.00 60.65 59.52 2k1n s ILE 44 Cb -0.18 -4.59 0.01 0.00 0.01 0.00 0.00 42.46 37.72 2k1n s ILE 44 CO 0.01 -1.28 0.75 -0.22 0.00 0.00 0.00 174.94 174.21 2k1n s LEU 45 N 3.06 4.19 0.15 2.97 0.20 -1.26 -1.07 118.68 126.91 2k1n s LEU 45 Ca 0.17 0.18 0.10 0.00 0.69 0.00 0.00 54.13 55.28 2k1n s LEU 45 Cb -0.19 -2.96 -0.04 0.00 -0.43 0.00 0.00 46.19 42.57 2k1n s LEU 45 CO 0.05 -0.76 -0.24 -0.54 -0.29 0.00 0.00 176.35 174.58 2k1n s LYS 46 N 3.07 1.37 0.52 1.98 1.02 0.02 -5.01 119.74 122.72 2k1n s LYS 46 Ca 0.30 -1.37 -0.17 0.00 0.02 0.00 0.00 55.97 54.74 2k1n s LYS 46 Cb -0.13 -1.72 -0.07 0.00 -0.52 0.00 0.00 37.83 35.39 2k1n s LYS 46 CO 0.18 0.39 1.01 -1.59 -0.92 0.00 0.00 175.35 174.42 2k1n s LYS 47 N -2.29 3.79 0.15 1.68 -2.85 -1.26 -1.18 119.74 117.78 2k1n s LYS 47 Ca 0.15 1.10 0.27 0.00 -1.00 0.00 0.00 55.97 56.49 2k1n s LYS 47 Cb -0.09 -2.11 0.94 0.00 -2.06 0.00 0.00 37.83 34.51 2k1n s LYS 47 CO 0.07 -0.41 1.81 2.48 0.10 0.00 0.00 175.35 179.40 2k1n n TYR 48 N -1.49 0.63 -3.66 1.78 4.11 -1.26 -4.72 117.16 112.55 2k1n n TYR 48 Ca 0.08 0.19 -0.07 0.00 -0.00 0.00 0.00 57.90 58.09 2k1n n TYR 48 Cb 0.53 -0.81 -0.08 0.00 -0.00 0.00 0.00 39.34 38.98 2k1n n TYR 48 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.86 177.07 2k1n s LYS 49 N -3.08 0.47 0.34 -3.48 2.47 -1.26 -5.04 119.74 110.16 2k1n s LYS 49 Ca 0.11 1.08 0.04 0.00 -1.56 0.00 0.00 55.97 55.64 2k1n s LYS 49 Cb 0.14 0.29 0.66 0.00 -1.46 0.00 0.00 37.83 37.45 2k1n s LYS 49 CO 0.56 -0.19 1.94 -1.00 0.16 0.00 0.00 175.35 176.82 2k1n h PRO 50 N 7.59 0.84 -3.05 4.03 0.13 -1.92 -3.41 132.00 136.20 2k1n h PRO 50 Ca -0.25 -0.05 -0.28 0.00 -0.87 0.00 0.00 66.00 64.55 2k1n h PRO 50 Cb 1.15 -0.19 -0.35 0.00 0.13 0.00 0.00 31.00 31.74 2k1n h PRO 50 CO 0.18 0.55 -0.62 1.21 -0.23 0.00 0.00 178.00 179.09 2k1n s ASN 51 N -6.15 0.66 -0.00 1.44 2.47 -1.26 -4.62 114.94 107.48 2k1n s ASN 51 Ca -0.10 0.38 -0.06 0.00 0.42 0.00 0.00 52.86 53.50 2k1n s ASN 51 Cb 0.19 0.35 -0.03 0.00 -1.45 0.00 0.00 41.25 40.31 2k1n s ASN 51 CO 0.78 -0.24 0.67 -0.03 -3.72 0.00 0.00 177.10 174.56 2k1n h MET 52 N 8.32 -0.20 0.00 0.43 1.85 -1.60 -3.48 114.93 120.24 2k1n h MET 52 Ca -0.14 0.01 0.00 0.00 -0.61 0.00 0.00 59.70 58.96 2k1n h MET 52 Cb 1.12 0.05 0.00 0.00 0.43 0.00 0.00 31.60 33.19 2k1n h MET 52 CO 0.15 -0.13 0.00 0.25 -0.40 0.00 0.00 176.91 176.77 2k1n n THR 53 N -2.86 0.00 0.00 -0.77 -2.24 -1.26 -5.01 114.28 102.14 2k1n n THR 53 Ca -0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 2k1n n THR 53 Cb 0.08 -0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.21 2k1n n THR 53 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50