#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 2.99 0.08 3.17 2.20 -1.26 -5.05 119.74 121.87 2k1n s LYS 2 Ca 0.00 -1.34 0.06 0.00 -0.36 0.00 0.00 55.97 54.34 2k1n s LYS 2 Cb 0.00 -4.14 -0.04 0.00 -1.51 0.00 0.00 37.83 32.14 2k1n s LYS 2 CO 0.00 -1.07 -0.10 -1.12 -0.36 0.00 0.00 175.35 172.69 2k1n s SER 3 N 2.69 4.36 0.00 1.43 0.01 -1.26 -5.11 113.70 115.82 2k1n s SER 3 Ca 0.05 -0.35 0.00 0.00 1.31 0.00 0.00 55.95 56.96 2k1n s SER 3 Cb -0.24 -0.85 0.00 0.00 0.21 0.00 0.00 66.02 65.14 2k1n s SER 3 CO 0.07 0.21 0.00 0.35 0.41 0.00 0.00 173.24 174.27 2k1n n THR 4 N 0.96 0.00 -3.98 1.44 -2.24 -1.26 -5.03 114.28 104.18 2k1n n THR 4 Ca -0.14 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.35 2k1n n THR 4 Cb 0.52 -0.08 -0.16 0.00 -2.10 0.00 0.00 70.33 68.50 2k1n n THR 4 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2k1n s GLY 5 N 0.00 1.07 -0.39 3.38 0.00 -1.26 -5.10 107.32 105.02 2k1n s GLY 5 Ca 0.00 -0.86 -0.16 0.00 0.00 0.00 0.00 44.72 43.70 2k1n s GLY 5 CO 0.00 0.65 0.36 -0.42 0.00 0.00 0.00 173.10 173.69 2k1n s ILE 6 N 1.54 5.18 -0.58 0.90 -1.09 -1.26 -5.03 121.20 120.85 2k1n s ILE 6 Ca 0.04 -0.30 -0.27 0.00 -2.23 0.00 0.00 60.65 57.89 2k1n s ILE 6 Cb -0.13 -3.91 0.03 0.00 -1.58 0.00 0.00 42.46 36.87 2k1n s ILE 6 CO -0.10 -0.25 1.13 -0.69 -1.23 0.00 0.00 174.94 173.80 2k1n s VAL 7 N 1.94 4.10 0.16 2.92 1.01 -1.26 -5.00 120.40 124.27 2k1n s VAL 7 Ca 0.09 0.70 0.08 0.00 0.00 0.00 0.00 61.98 62.86 2k1n s VAL 7 Cb -0.17 -4.69 -0.04 0.00 0.00 0.00 0.00 36.38 31.47 2k1n s VAL 7 CO 0.12 -1.32 -0.17 -0.60 0.00 0.00 0.00 175.10 173.13 2k1n s ARG 8 N 4.73 1.24 0.36 2.72 3.52 -1.26 -5.13 118.95 125.13 2k1n s ARG 8 Ca 0.39 -1.39 -0.27 0.00 -0.13 0.00 0.00 55.73 54.33 2k1n s ARG 8 Cb -0.09 -1.24 -0.09 0.00 -1.56 0.00 0.00 34.95 31.97 2k1n s ARG 8 CO 0.23 0.25 1.19 -1.59 -0.81 0.00 0.00 175.30 174.56 2k1n s LYS 9 N -2.84 4.23 0.00 5.12 -2.85 -1.26 -5.05 119.74 117.09 2k1n s LYS 9 Ca 0.15 1.92 0.00 0.00 -1.00 0.00 0.00 55.97 57.04 2k1n s LYS 9 Cb -0.05 -2.86 0.00 0.00 -2.06 0.00 0.00 37.83 32.86 2k1n s LYS 9 CO 0.06 -0.19 0.00 1.33 0.10 0.00 0.00 175.35 176.65 2k1n n VAL 10 N 0.44 0.00 -2.08 1.79 0.24 -1.26 -4.97 118.33 112.49 2k1n n VAL 10 Ca 0.02 0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 61.98 2k1n n VAL 10 Cb 0.45 -0.62 0.02 0.00 -1.47 0.00 0.00 33.84 32.22 2k1n n VAL 10 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2k1n s ASP 11 N -0.93 5.45 0.37 -1.34 -1.08 -0.15 -4.92 116.67 114.07 2k1n s ASP 11 Ca 0.00 2.17 0.27 0.00 -0.52 0.00 0.00 52.55 54.47 2k1n s ASP 11 Cb 0.00 -2.58 1.18 0.00 -1.46 0.00 0.00 42.92 40.06 2k1n s ASP 11 CO 0.00 -1.40 1.82 -0.33 0.52 0.00 0.00 175.17 175.78 2k1n h GLU 12 N 0.82 0.00 0.00 4.34 4.39 -1.99 -2.84 114.58 119.30 2k1n h GLU 12 Ca -0.49 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.19 2k1n h GLU 12 Cb 1.26 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.87 2k1n h GLU 12 CO 0.56 0.00 -0.42 1.28 -1.16 0.00 0.00 179.01 179.27 2k1n n LEU 13 N -2.54 2.28 -1.42 1.33 4.32 -1.26 -5.04 117.00 114.68 2k1n n LEU 13 Ca 0.01 -3.32 0.00 0.00 -0.02 0.00 0.00 56.01 52.68 2k1n n LEU 13 Cb 0.23 -0.42 0.00 0.00 -1.62 0.00 0.00 43.42 41.61 2k1n n LEU 13 CO 0.21 1.06 0.00 0.61 -1.22 0.00 0.00 177.39 178.05 2k1n n GLY 14 N -0.97 -2.71 3.64 -0.72 0.00 -1.07 -5.14 105.19 98.21 2k1n n GLY 14 Ca 0.16 -0.34 -0.02 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.42 0.08 -0.03 1.61 0.52 -1.26 -4.92 118.95 114.53 2k1n s ARG 15 Ca 0.00 -0.02 0.02 0.00 -0.52 0.00 0.00 55.73 55.21 2k1n s ARG 15 Cb 0.00 0.04 0.01 0.00 0.52 0.00 0.00 34.95 35.51 2k1n s ARG 15 CO 0.00 -0.03 -0.07 0.54 0.02 0.00 0.00 175.30 175.76 2k1n s VAL 16 N -1.80 0.65 -0.04 3.52 0.11 -1.26 -0.98 120.40 120.60 2k1n s VAL 16 Ca 0.11 -0.28 0.04 0.00 -2.93 0.00 0.00 61.98 58.91 2k1n s VAL 16 Cb -0.01 -0.60 -0.00 0.00 -1.53 0.00 0.00 36.38 34.24 2k1n s VAL 16 CO -0.04 0.22 -0.15 -0.69 -3.33 0.00 0.00 175.10 171.11 2k1n s VAL 17 N 0.29 1.26 -0.12 2.04 1.01 -1.26 -5.06 120.40 118.56 2k1n s VAL 17 Ca -0.04 -0.61 -0.23 0.00 0.00 0.00 0.00 61.98 61.09 2k1n s VAL 17 Cb -0.09 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 35.17 2k1n s VAL 17 CO 0.00 0.37 0.73 -0.63 0.00 0.00 0.00 175.10 175.57 2k1n s ILE 18 N 0.13 5.00 0.45 2.22 1.01 -1.26 -5.05 121.20 123.70 2k1n s ILE 18 Ca -0.05 1.45 -0.23 0.00 0.00 0.00 0.00 60.65 61.83 2k1n s ILE 18 Cb -0.11 -4.05 -0.08 0.00 0.01 0.00 0.00 42.46 38.23 2k1n s ILE 18 CO 0.02 0.16 1.12 -2.16 0.00 0.00 0.00 174.94 174.08 2k1n s PRO 19 N 1.37 3.84 0.25 2.79 0.04 -1.26 -4.94 135.00 137.10 2k1n s PRO 19 Ca 0.36 1.65 0.01 0.00 0.04 0.00 0.00 61.00 63.06 2k1n s PRO 19 Cb -0.17 -2.38 0.32 0.00 0.04 0.00 0.00 34.50 32.31 2k1n s PRO 19 CO 0.15 -0.45 1.66 0.97 0.04 0.00 0.00 177.00 179.37 2k1n h ILE 20 N 1.87 1.28 -0.22 0.56 6.09 -1.98 -1.13 117.51 123.99 2k1n h ILE 20 Ca -0.49 -1.41 -0.00 0.00 -1.37 0.00 0.00 64.86 61.59 2k1n h ILE 20 Cb 1.24 1.45 -0.01 0.00 0.47 0.00 0.00 36.82 39.96 2k1n h ILE 20 CO 0.60 0.45 0.13 -0.33 -3.07 0.00 0.00 178.15 175.93 2k1n h GLU 21 N 0.44 0.30 -0.31 2.19 3.07 -1.99 0.56 114.58 118.84 2k1n h GLU 21 Ca 0.05 -0.03 -0.17 0.00 -0.50 0.00 0.00 59.36 58.72 2k1n h GLU 21 Cb 0.78 -0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 28.62 2k1n h GLU 21 CO 0.06 0.25 -0.46 1.25 -1.40 0.00 0.00 179.01 178.71 2k1n h LEU 22 N 0.26 0.91 -0.09 1.33 5.85 -1.94 -2.25 115.31 119.39 2k1n h LEU 22 Ca 0.08 -0.45 0.00 0.00 0.84 0.00 0.00 57.88 58.35 2k1n h LEU 22 Cb 0.03 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 2k1n h LEU 22 CO -0.01 1.23 0.05 -0.09 -0.34 0.00 0.00 178.44 179.28 2k1n h ARG 23 N 0.67 0.11 0.00 1.25 2.43 -0.91 -0.67 114.38 117.25 2k1n h ARG 23 Ca 0.04 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.17 2k1n h ARG 23 Cb 1.05 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.57 2k1n h ARG 23 CO 0.10 0.07 -0.15 0.07 -1.51 0.00 0.00 179.97 178.56 2k1n h ARG 24 N 0.11 0.00 -0.01 0.20 0.11 -0.90 0.21 114.38 114.10 2k1n h ARG 24 Ca 0.03 0.00 -0.21 0.00 0.10 0.00 0.00 59.98 59.91 2k1n h ARG 24 Cb -0.01 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.07 2k1n h ARG 24 CO -0.01 0.15 -0.87 1.15 0.10 0.00 0.00 179.97 180.48 2k1n h THR 25 N 0.00 1.43 0.13 0.08 2.02 -0.74 -3.28 112.91 112.55 2k1n h THR 25 Ca -0.00 -2.43 -0.31 0.00 0.77 0.00 0.00 66.41 64.43 2k1n h THR 25 Cb 0.60 2.36 -0.00 0.00 -1.74 0.00 0.00 68.15 69.37 2k1n h THR 25 CO 0.02 0.72 -1.57 -0.07 0.37 0.00 0.00 175.52 174.99 2k1n h LEU 26 N 0.19 0.43 -0.43 2.58 4.07 -0.75 -3.45 115.31 117.94 2k1n h LEU 26 Ca -0.06 -0.60 0.00 0.00 0.08 0.00 0.00 57.88 57.30 2k1n h LEU 26 Cb 1.49 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 43.09 2k1n h LEU 26 CO 0.14 1.50 0.00 0.61 -1.08 0.00 0.00 178.44 179.62 2k1n n GLY 27 N 1.70 0.63 0.73 0.83 0.00 0.71 -4.93 105.19 104.86 2k1n n GLY 27 Ca -0.18 -0.79 -0.04 0.00 0.00 0.00 0.00 46.02 45.01 2k1n n GLY 27 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2k1n n ILE 28 N -3.33 0.00 -1.93 -0.61 -5.35 -1.21 -5.01 119.36 101.91 2k1n n ILE 28 Ca 0.00 -0.30 -0.29 0.00 -0.27 0.00 0.00 62.75 61.88 2k1n n ILE 28 Cb 0.50 -1.23 0.07 0.00 -1.74 0.00 0.00 39.64 37.24 2k1n n ILE 28 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2k1n s ALA 29 N -2.73 2.79 0.19 -1.28 0.00 -1.26 -4.95 121.76 114.51 2k1n s ALA 29 Ca 0.12 -0.56 0.00 0.00 0.00 0.00 0.00 51.96 51.52 2k1n s ALA 29 Cb -0.01 -2.95 0.00 0.00 0.00 0.00 0.00 23.12 20.17 2k1n s ALA 29 CO 0.08 -1.43 0.00 -1.91 0.00 0.00 0.00 175.76 172.50 2k1n n GLU 30 N -3.16 0.00 -2.93 0.00 2.13 -1.26 -4.94 120.64 110.48 2k1n n GLU 30 Ca 0.07 0.00 -0.44 0.00 0.66 0.00 0.00 57.16 57.46 2k1n n GLU 30 Cb 0.59 -0.16 0.00 0.00 0.27 0.00 0.00 31.44 32.15 2k1n n GLU 30 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2k1n n LYS 31 N -3.34 3.58 -2.34 5.31 5.02 -1.26 -4.93 118.16 120.21 2k1n n LYS 31 Ca 0.00 -4.00 -0.04 0.00 -2.02 0.00 0.00 58.31 52.25 2k1n n LYS 31 Cb 0.00 -2.85 -0.01 0.00 -0.02 0.00 0.00 35.03 32.15 2k1n n LYS 31 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2k1n n ASP 32 N 4.16 -0.25 -4.58 4.39 8.00 -1.26 -5.16 116.55 121.84 2k1n n ASP 32 Ca 0.33 -1.49 -0.34 0.00 0.71 0.00 0.00 54.79 54.00 2k1n n ASP 32 Cb 0.40 0.51 -0.11 0.00 -0.02 0.00 0.00 41.12 41.89 2k1n n ASP 32 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k1n s ALA 33 N -2.09 3.06 0.08 2.24 0.00 -1.26 -5.12 121.76 118.68 2k1n s ALA 33 Ca 0.08 -0.85 0.05 0.00 0.00 0.00 0.00 51.96 51.24 2k1n s ALA 33 Cb 0.00 -1.39 -0.04 0.00 0.00 0.00 0.00 23.12 21.69 2k1n s ALA 33 CO 0.06 0.46 -0.02 -0.51 0.00 0.00 0.00 175.76 175.75 2k1n s LEU 34 N -0.45 3.38 -0.47 0.00 1.02 -1.26 -4.63 118.68 116.27 2k1n s LEU 34 Ca 0.07 -0.20 -0.10 0.00 0.02 0.00 0.00 54.13 53.92 2k1n s LEU 34 Cb -0.12 -2.10 0.11 0.00 0.02 0.00 0.00 46.19 44.10 2k1n s LEU 34 CO 0.02 0.19 0.35 -0.70 0.02 0.00 0.00 176.35 176.23 2k1n s GLU 35 N -2.20 2.55 -0.39 1.70 2.12 0.16 -4.95 118.70 117.70 2k1n s GLU 35 Ca 0.24 -1.71 -0.28 0.00 0.36 0.00 0.00 54.97 53.58 2k1n s GLU 35 Cb -0.12 -3.95 0.02 0.00 0.26 0.00 0.00 34.13 30.35 2k1n s GLU 35 CO 0.16 -1.17 1.03 0.42 -0.54 0.00 0.00 175.26 175.17 2k1n s ILE 36 N 1.40 4.45 -0.20 -3.70 1.01 -1.26 -0.70 121.20 122.20 2k1n s ILE 36 Ca 0.05 1.37 0.00 0.00 0.00 0.00 0.00 60.65 62.07 2k1n s ILE 36 Cb -0.26 -4.44 0.05 0.00 0.01 0.00 0.00 42.46 37.82 2k1n s ILE 36 CO 0.00 -0.66 -0.06 -0.31 0.00 0.00 0.00 174.94 173.91 2k1n s TYR 37 N 3.82 2.06 -0.19 3.97 2.02 -0.50 -5.01 117.35 123.51 2k1n s TYR 37 Ca 0.43 -1.41 -0.22 0.00 -0.37 0.00 0.00 57.07 55.51 2k1n s TYR 37 Cb -0.11 -1.46 -0.02 0.00 -0.40 0.00 0.00 41.96 39.97 2k1n s TYR 37 CO 0.21 -0.70 0.67 0.14 -1.57 0.00 0.00 175.55 174.30 2k1n s VAL 38 N 1.51 5.00 -0.26 0.71 -7.23 -1.26 -0.49 120.40 118.38 2k1n s VAL 38 Ca -0.02 1.27 0.01 0.00 -1.81 0.00 0.00 61.98 61.43 2k1n s VAL 38 Cb -0.17 -3.98 0.07 0.00 0.56 0.00 0.00 36.38 32.86 2k1n s VAL 38 CO -0.07 0.10 -0.02 -0.62 -0.31 0.00 0.00 175.10 174.18 2k1n s ASP 39 N 1.18 4.00 0.00 4.85 2.15 0.39 -4.98 116.67 124.26 2k1n s ASP 39 Ca 0.31 -1.38 0.00 0.00 0.43 0.00 0.00 52.55 51.91 2k1n s ASP 39 Cb -0.16 -1.20 0.00 0.00 -0.30 0.00 0.00 42.92 41.26 2k1n s ASP 39 CO 0.11 -0.28 0.00 -0.67 -0.17 0.00 0.00 175.17 174.16 2k1n n ASP 40 N 4.64 0.00 -0.70 -0.34 2.03 -1.26 -0.66 116.55 120.26 2k1n n ASP 40 Ca -0.08 0.00 0.01 0.00 0.52 0.00 0.00 54.79 55.23 2k1n n ASP 40 Cb 0.43 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.84 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 0.00 -4.28 -0.67 -0.00 -1.26 -5.06 120.64 109.37 2k1n n GLU 41 Ca 0.00 -1.07 -0.32 0.00 -0.00 0.00 0.00 57.16 55.77 2k1n n GLU 41 Cb 0.00 -0.32 -0.16 0.00 -0.00 0.00 0.00 31.44 30.96 2k1n n GLU 41 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 2k1n s LYS 42 N 0.00 2.88 -0.89 3.44 1.02 0.17 -5.07 119.74 121.28 2k1n s LYS 42 Ca 0.06 -0.79 -0.18 0.00 0.02 0.00 0.00 55.97 55.08 2k1n s LYS 42 Cb 0.07 -2.44 0.14 0.00 -0.52 0.00 0.00 37.83 35.08 2k1n s LYS 42 CO -0.03 -0.15 1.06 0.42 -0.92 0.00 0.00 175.35 175.73 2k1n s ILE 43 N 1.16 4.81 -0.65 2.17 1.01 -1.26 -0.46 121.20 127.98 2k1n s ILE 43 Ca 0.01 -1.60 -0.27 0.00 0.00 0.00 0.00 60.65 58.79 2k1n s ILE 43 Cb -0.14 -4.73 0.01 0.00 0.01 0.00 0.00 42.46 37.62 2k1n s ILE 43 CO -0.09 -1.44 1.43 -0.63 0.00 0.00 0.00 174.94 174.21 2k1n s ILE 44 N 2.46 3.69 -0.82 2.92 1.01 0.36 -4.88 121.20 125.95 2k1n s ILE 44 Ca 0.30 0.48 -0.20 0.00 0.00 0.00 0.00 60.65 61.23 2k1n s ILE 44 Cb -0.07 -4.57 0.11 0.00 0.01 0.00 0.00 42.46 37.95 2k1n s ILE 44 CO -0.08 -1.43 1.04 -0.76 0.00 0.00 0.00 174.94 173.71 2k1n s LEU 45 N 6.44 4.89 0.00 2.97 1.43 -1.26 -1.42 118.68 131.74 2k1n s LEU 45 Ca 0.47 -1.67 0.00 0.00 -1.03 0.00 0.00 54.13 51.90 2k1n s LEU 45 Cb -0.10 -2.39 0.00 0.00 0.03 0.00 0.00 46.19 43.73 2k1n s LEU 45 CO 0.20 -1.18 0.00 0.29 0.23 0.00 0.00 176.35 175.89 2k1n n LYS 46 N 6.86 0.81 -3.21 1.70 5.02 0.12 -4.82 118.16 124.65 2k1n n LYS 46 Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 2k1n n LYS 46 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.48 2k1n n LYS 46 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 2k1n n LYS 47 N -1.00 -1.47 -0.45 1.97 2.85 -1.26 0.40 118.16 119.20 2k1n n LYS 47 Ca 0.00 0.00 -0.04 0.00 -1.05 0.00 0.00 58.31 57.22 2k1n n LYS 47 Cb 0.00 0.00 0.02 0.00 -0.65 0.00 0.00 35.03 34.40 2k1n n LYS 47 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 177.40 179.83 2k1n n TYR 48 N 1.62 -3.80 -3.56 5.58 0.18 -1.26 -4.98 117.16 110.93 2k1n n TYR 48 Ca 0.00 -0.19 -0.41 0.00 1.88 0.00 0.00 57.90 59.19 2k1n n TYR 48 Cb 0.00 -0.13 -0.08 0.00 -0.38 0.00 0.00 39.34 38.75 2k1n n TYR 48 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 2k1n s LYS 49 N -3.21 2.69 0.03 -3.48 -0.14 -1.26 -4.93 119.74 109.45 2k1n s LYS 49 Ca 0.10 -2.10 -0.17 0.00 -1.36 0.00 0.00 55.97 52.44 2k1n s LYS 49 Cb -0.00 -3.96 -0.27 0.00 -1.68 0.00 0.00 37.83 31.92 2k1n s LYS 49 CO 0.07 -1.20 1.09 -1.35 -0.76 0.00 0.00 175.35 173.20 2k1n h PRO 50 N 7.94 0.56 -6.11 -1.68 0.11 -2.02 -3.43 132.00 127.37 2k1n h PRO 50 Ca -0.10 -0.70 -0.52 0.00 0.11 0.00 0.00 66.00 64.79 2k1n h PRO 50 Cb 1.03 0.23 -0.04 0.00 0.11 0.00 0.00 31.00 32.33 2k1n h PRO 50 CO 0.80 1.30 1.29 1.21 -0.21 0.00 0.00 178.00 182.39 2k1n s ASN 51 N -7.21 5.54 0.00 -2.05 2.47 -1.26 -4.75 114.94 107.68 2k1n s ASN 51 Ca -0.11 0.43 0.10 0.00 0.42 0.00 0.00 52.86 53.70 2k1n s ASN 51 Cb 0.05 -2.53 0.09 0.00 -1.45 0.00 0.00 41.25 37.41 2k1n s ASN 51 CO 0.90 -2.15 0.85 0.80 -3.72 0.00 0.00 177.10 173.78 2k1n n MET 52 N 9.00 0.58 0.00 0.43 1.56 -1.26 -4.74 117.12 122.69 2k1n n MET 52 Ca 0.19 -1.17 0.00 0.00 -0.27 0.00 0.00 57.70 56.45 2k1n n MET 52 Cb 0.51 -1.20 0.00 0.00 2.15 0.00 0.00 33.22 34.68 2k1n n MET 52 CO 0.00 0.00 0.00 0.25 -0.73 0.00 0.00 175.97 175.49 2k1n n THR 53 N 0.57 0.00 -2.81 1.12 -2.24 -1.26 -4.61 114.28 105.05 2k1n n THR 53 Ca 0.06 0.41 -0.43 0.00 -2.27 0.00 0.00 64.05 61.83 2k1n n THR 53 Cb 0.27 -1.03 -0.03 0.00 -2.10 0.00 0.00 70.33 67.43 2k1n n THR 53 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50