#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 0.78 0.26 2.12 2.36 -1.26 -5.04 119.74 118.96 2k1n s LYS 2 Ca 0.00 -0.05 -0.11 0.00 -2.55 0.00 0.00 55.97 53.26 2k1n s LYS 2 Cb 0.00 -0.89 -0.08 0.00 -1.05 0.00 0.00 37.83 35.82 2k1n s LYS 2 CO 0.00 -0.14 0.60 -1.12 1.55 0.00 0.00 175.35 176.24 2k1n s SER 3 N 1.20 6.67 -0.22 1.43 0.01 -1.26 -4.98 113.70 116.55 2k1n s SER 3 Ca -0.07 1.02 -0.03 0.00 1.31 0.00 0.00 55.95 58.19 2k1n s SER 3 Cb -0.14 -2.27 0.00 0.00 0.21 0.00 0.00 66.02 63.83 2k1n s SER 3 CO -0.02 -0.11 2.67 0.41 0.41 0.00 0.00 173.24 176.61 2k1n n THR 4 N -0.20 2.86 -1.58 1.44 -1.04 -1.26 -4.63 114.28 109.87 2k1n n THR 4 Ca 0.01 -1.81 -0.00 0.00 -2.04 0.00 0.00 64.05 60.21 2k1n n THR 4 Cb 0.53 -1.62 0.00 0.00 -1.82 0.00 0.00 70.33 67.42 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 1.29 0.84 0.00 3.41 0.00 -1.26 -5.07 105.19 104.40 2k1n n GLY 5 Ca 0.34 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2k1n n GLY 5 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2k1n n ILE 6 N -1.44 0.00 -2.01 -0.61 -5.35 -1.26 -5.13 119.36 103.56 2k1n n ILE 6 Ca -0.00 0.00 -0.42 0.00 -0.27 0.00 0.00 62.75 62.06 2k1n n ILE 6 Cb 0.50 0.00 -0.03 0.00 -1.74 0.00 0.00 39.64 38.37 2k1n n ILE 6 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 2k1n s VAL 7 N -2.80 2.79 -0.15 7.28 1.01 -1.26 -4.91 120.40 122.35 2k1n s VAL 7 Ca 0.00 0.59 0.01 0.00 0.00 0.00 0.00 61.98 62.58 2k1n s VAL 7 Cb 0.00 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 33.01 2k1n s VAL 7 CO 0.00 0.06 -0.17 -0.60 0.00 0.00 0.00 175.10 174.39 2k1n s ARG 8 N 0.71 3.15 -0.07 2.72 3.52 -1.26 -4.88 118.95 122.84 2k1n s ARG 8 Ca 0.66 -0.78 -0.30 0.00 -0.13 0.00 0.00 55.73 55.18 2k1n s ARG 8 Cb -0.42 -2.58 -0.06 0.00 -1.56 0.00 0.00 34.95 30.34 2k1n s ARG 8 CO 0.34 -0.01 1.72 0.21 -0.81 0.00 0.00 175.30 176.75 2k1n s LYS 9 N 0.86 4.08 -0.17 5.12 2.36 -1.26 -4.98 119.74 125.75 2k1n s LYS 9 Ca -0.05 2.18 -0.07 0.00 -2.55 0.00 0.00 55.97 55.48 2k1n s LYS 9 Cb -0.15 -4.04 -0.04 0.00 -1.05 0.00 0.00 37.83 32.55 2k1n s LYS 9 CO -0.01 -0.97 0.08 0.08 1.55 0.00 0.00 175.35 176.07 2k1n s VAL 10 N 4.43 4.95 0.00 4.02 1.01 -1.26 -5.05 120.40 128.49 2k1n s VAL 10 Ca 0.77 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.76 2k1n s VAL 10 Cb -0.34 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 32.83 2k1n s VAL 10 CO 0.32 0.49 0.00 0.47 0.00 0.00 0.00 175.10 176.38 2k1n n ASP 11 N 3.17 0.00 -3.55 3.32 9.92 -1.26 -4.90 116.55 123.25 2k1n n ASP 11 Ca -0.17 -0.98 -0.39 0.00 -0.53 0.00 0.00 54.79 52.72 2k1n n ASP 11 Cb 0.53 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.97 2k1n n ASP 11 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2k1n n GLU 12 N -0.98 2.13 -0.07 -1.24 1.02 -1.26 -4.25 120.64 115.99 2k1n n GLU 12 Ca 0.00 -2.00 -0.15 0.00 -0.02 0.00 0.00 57.16 54.99 2k1n n GLU 12 Cb 0.00 -2.92 -0.05 0.00 -0.02 0.00 0.00 31.44 28.44 2k1n n GLU 12 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2k1n n LEU 13 N 6.23 1.18 0.00 -4.62 4.77 -1.26 -5.03 117.00 118.27 2k1n n LEU 13 Ca 0.52 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.65 2k1n n LEU 13 Cb 0.34 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 2k1n n LEU 13 CO 0.93 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.94 2k1n n GLY 14 N 2.18 0.59 3.61 -0.72 0.00 -1.26 -5.02 105.19 104.56 2k1n n GLY 14 Ca -0.28 -0.76 -0.03 0.00 0.00 0.00 0.00 46.02 44.96 2k1n n GLY 14 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2k1n s ARG 15 N -1.50 0.46 0.00 1.61 3.03 -1.26 -5.19 118.95 116.10 2k1n s ARG 15 Ca 0.00 -0.21 0.00 0.00 2.03 0.00 0.00 55.73 57.55 2k1n s ARG 15 Cb 0.00 0.18 0.00 0.00 -1.03 0.00 0.00 34.95 34.10 2k1n s ARG 15 CO 0.00 -0.21 0.00 0.28 -1.13 0.00 0.00 175.30 174.24 2k1n n VAL 16 N -0.27 0.00 -4.16 4.99 0.31 -1.26 -4.97 118.33 112.97 2k1n n VAL 16 Ca -0.04 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.19 2k1n n VAL 16 Cb 0.60 -0.41 -0.10 0.00 -0.91 0.00 0.00 33.84 33.02 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 0.89 0.12 0.25 2.52 -7.23 -1.26 -5.17 120.40 110.53 2k1n s VAL 17 Ca 0.00 -1.92 -0.05 0.00 -1.81 0.00 0.00 61.98 58.20 2k1n s VAL 17 Cb 0.00 -2.09 -0.05 0.00 0.56 0.00 0.00 36.38 34.80 2k1n s VAL 17 CO 0.00 -0.42 0.50 0.27 -0.31 0.00 0.00 175.10 175.14 2k1n s ILE 18 N -4.04 5.06 -0.15 -0.62 -4.36 -1.26 -5.02 121.20 110.82 2k1n s ILE 18 Ca 0.25 0.03 -0.29 0.00 -0.26 0.00 0.00 60.65 60.38 2k1n s ILE 18 Cb 0.07 -3.70 -0.06 0.00 1.25 0.00 0.00 42.46 40.02 2k1n s ILE 18 CO 0.03 -0.22 2.01 -2.84 0.24 0.00 0.00 174.94 174.16 2k1n s PRO 19 N -3.31 3.57 0.23 0.37 0.02 -1.26 -4.88 135.00 129.74 2k1n s PRO 19 Ca 0.43 2.11 -0.02 0.00 0.02 0.00 0.00 61.00 63.54 2k1n s PRO 19 Cb -0.11 -4.24 0.24 0.00 0.02 0.00 0.00 34.50 30.41 2k1n s PRO 19 CO 0.28 -1.59 1.63 0.97 -0.33 0.00 0.00 177.00 177.95 2k1n h ILE 20 N 6.48 1.28 -0.85 2.83 6.09 -1.98 -1.65 117.51 129.71 2k1n h ILE 20 Ca -0.42 -1.43 0.08 0.00 -1.37 0.00 0.00 64.86 61.72 2k1n h ILE 20 Cb 1.22 1.39 -0.07 0.00 0.47 0.00 0.00 36.82 39.83 2k1n h ILE 20 CO 0.97 0.46 0.51 1.05 -3.07 0.00 0.00 178.15 178.07 2k1n h GLU 21 N 0.54 0.86 0.05 2.19 9.09 -2.00 0.14 114.58 125.45 2k1n h GLU 21 Ca 0.06 -0.05 -0.15 0.00 0.05 0.00 0.00 59.36 59.27 2k1n h GLU 21 Cb 0.80 -0.19 0.01 0.00 -1.65 0.00 0.00 28.75 27.72 2k1n h GLU 21 CO 0.07 0.57 -0.62 -0.07 0.05 0.00 0.00 179.01 179.01 2k1n h LEU 22 N 0.89 0.45 -0.48 3.06 3.38 -1.94 -2.98 115.31 117.68 2k1n h LEU 22 Ca 0.39 -0.84 0.06 0.00 0.09 0.00 0.00 57.88 57.58 2k1n h LEU 22 Cb 0.27 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.83 2k1n h LEU 22 CO -0.21 1.25 0.18 -0.09 0.09 0.00 0.00 178.44 179.66 2k1n h ARG 23 N -0.28 0.35 -0.39 1.13 2.43 -0.81 0.67 114.38 117.47 2k1n h ARG 23 Ca -0.09 -0.02 -0.16 0.00 -0.81 0.00 0.00 59.98 58.90 2k1n h ARG 23 Cb 1.39 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.85 2k1n h ARG 23 CO 0.12 0.23 -0.37 -0.09 -1.51 0.00 0.00 179.97 178.35 2k1n h ARG 24 N 0.36 0.92 0.00 0.20 9.65 -0.86 -2.87 114.38 121.79 2k1n h ARG 24 Ca 0.23 -0.48 -0.04 0.00 -1.10 0.00 0.00 59.98 58.59 2k1n h ARG 24 Cb 0.22 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.81 2k1n h ARG 24 CO -0.22 1.13 -0.21 1.15 2.80 0.00 0.00 179.97 184.62 2k1n h THR 25 N 0.76 0.58 0.00 0.20 2.02 -1.29 -2.39 112.91 112.79 2k1n h THR 25 Ca 0.07 -1.00 -0.06 0.00 0.77 0.00 0.00 66.41 66.19 2k1n h THR 25 Cb 0.96 1.67 -0.01 0.00 -1.74 0.00 0.00 68.15 69.02 2k1n h THR 25 CO 0.09 0.21 -0.29 -0.07 0.37 0.00 0.00 175.52 175.83 2k1n h LEU 26 N 0.00 0.00 -0.80 2.58 3.38 -0.65 -3.47 115.31 116.35 2k1n h LEU 26 Ca -0.00 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.78 2k1n h LEU 26 Cb 0.65 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.46 2k1n h LEU 26 CO 0.03 0.29 -0.31 0.61 0.09 0.00 0.00 178.44 179.15 2k1n n GLY 27 N -0.00 0.25 0.87 0.83 0.00 -0.90 -5.05 105.19 101.19 2k1n n GLY 27 Ca -0.01 -0.26 -0.05 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.67 0.00 -1.23 -0.61 -5.35 -1.25 -5.12 119.36 102.12 2k1n n ILE 28 Ca -0.00 -0.46 0.00 0.00 -0.27 0.00 0.00 62.75 62.02 2k1n n ILE 28 Cb 0.53 -0.69 0.00 0.00 -1.74 0.00 0.00 39.64 37.74 2k1n n ILE 28 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2k1n n ALA 29 N -2.81 0.00 -0.10 -1.28 0.00 -1.26 -4.99 120.51 110.07 2k1n n ALA 29 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2k1n n ALA 29 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.59 2k1n n ALA 29 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2k1n n GLU 30 N 0.00 0.00 -2.54 0.00 -0.00 -1.26 -4.90 120.64 111.94 2k1n n GLU 30 Ca 0.00 0.34 -0.40 0.00 -0.00 0.00 0.00 57.16 57.09 2k1n n GLU 30 Cb 0.00 -0.82 -0.05 0.00 -0.00 0.00 0.00 31.44 30.57 2k1n n GLU 30 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.13 175.54 2k1n s LYS 31 N -0.90 4.69 0.04 3.44 0.00 -1.26 -5.00 119.74 120.75 2k1n s LYS 31 Ca 0.00 1.73 -0.07 0.00 0.00 0.00 0.00 55.97 57.63 2k1n s LYS 31 Cb 0.00 -3.21 0.02 0.00 0.00 0.00 0.00 37.83 34.64 2k1n s LYS 31 CO 0.00 0.29 0.32 -3.47 0.00 0.00 0.00 175.35 172.48 2k1n n ASP 32 N 1.28 -0.47 -3.84 0.03 -0.08 -1.26 -5.17 116.55 107.04 2k1n n ASP 32 Ca -0.01 -1.22 -0.12 0.00 -1.51 0.00 0.00 54.79 51.93 2k1n n ASP 32 Cb 0.45 0.75 -0.12 0.00 2.34 0.00 0.00 41.12 44.54 2k1n n ASP 32 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2k1n s ALA 33 N -1.30 -0.28 0.37 -1.67 0.00 -1.26 -5.17 121.76 112.45 2k1n s ALA 33 Ca 0.07 0.25 0.04 0.00 0.00 0.00 0.00 51.96 52.32 2k1n s ALA 33 Cb -0.01 -0.15 -0.05 0.00 0.00 0.00 0.00 23.12 22.91 2k1n s ALA 33 CO 0.01 -0.07 0.06 -0.51 0.00 0.00 0.00 175.76 175.24 2k1n s LEU 34 N -0.14 2.27 -0.26 0.00 1.43 -1.26 -4.95 118.68 115.77 2k1n s LEU 34 Ca -0.02 -1.46 -0.15 0.00 -1.03 0.00 0.00 54.13 51.47 2k1n s LEU 34 Cb -0.02 -0.45 -0.04 0.00 0.03 0.00 0.00 46.19 45.71 2k1n s LEU 34 CO 0.00 -0.66 0.38 -1.61 0.23 0.00 0.00 176.35 174.69 2k1n s GLU 35 N -3.83 4.04 -0.23 1.70 2.02 -0.50 -4.97 118.70 116.93 2k1n s GLU 35 Ca 0.31 0.08 -0.05 0.00 0.02 0.00 0.00 54.97 55.33 2k1n s GLU 35 Cb 0.07 -3.64 -0.02 0.00 0.10 0.00 0.00 34.13 30.65 2k1n s GLU 35 CO 0.15 -0.24 0.01 0.96 0.02 0.00 0.00 175.26 176.15 2k1n s ILE 36 N 1.97 3.78 -0.36 -1.63 -4.36 -1.26 0.02 121.20 119.36 2k1n s ILE 36 Ca 0.16 -0.35 -0.09 0.00 -0.26 0.00 0.00 60.65 60.11 2k1n s ILE 36 Cb -0.16 -2.74 0.04 0.00 1.25 0.00 0.00 42.46 40.85 2k1n s ILE 36 CO 0.09 0.39 0.16 -0.31 0.24 0.00 0.00 174.94 175.52 2k1n s TYR 37 N 1.50 3.26 -0.63 1.37 2.02 0.05 -4.92 117.35 120.01 2k1n s TYR 37 Ca 0.06 -1.22 -0.27 0.00 -0.37 0.00 0.00 57.07 55.27 2k1n s TYR 37 Cb -0.15 -2.40 0.03 0.00 -0.40 0.00 0.00 41.96 39.05 2k1n s TYR 37 CO -0.00 -0.70 1.16 0.08 -1.57 0.00 0.00 175.55 174.52 2k1n s VAL 38 N 1.47 4.01 -0.38 0.71 1.01 -1.26 0.21 120.40 126.17 2k1n s VAL 38 Ca 0.00 0.59 -0.07 0.00 0.00 0.00 0.00 61.98 62.50 2k1n s VAL 38 Cb -0.20 -4.75 0.07 0.00 0.00 0.00 0.00 36.38 31.50 2k1n s VAL 38 CO 0.05 -1.46 0.19 -0.62 0.00 0.00 0.00 175.10 173.25 2k1n s ASP 39 N 3.21 5.45 0.00 3.32 2.15 0.74 -4.90 116.67 126.65 2k1n s ASP 39 Ca 0.37 -1.42 0.00 0.00 0.43 0.00 0.00 52.55 51.94 2k1n s ASP 39 Cb -0.09 -1.92 0.00 0.00 -0.30 0.00 0.00 42.92 40.61 2k1n s ASP 39 CO 0.21 -0.45 0.00 0.47 -0.17 0.00 0.00 175.17 175.23 2k1n n ASP 40 N 4.83 0.00 -0.09 -0.34 8.00 -1.26 -1.31 116.55 126.39 2k1n n ASP 40 Ca -0.10 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.40 2k1n n ASP 40 Cb 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.53 2k1n n ASP 40 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 2k1n n GLU 41 N 0.00 0.00 -4.61 -1.24 0.28 -1.26 -5.09 120.64 108.72 2k1n n GLU 41 Ca 0.00 -0.52 -0.25 0.00 -0.16 0.00 0.00 57.16 56.23 2k1n n GLU 41 Cb 0.00 -0.45 -0.14 0.00 1.43 0.00 0.00 31.44 32.28 2k1n n GLU 41 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 2k1n s LYS 42 N 0.00 1.32 -0.48 3.44 -2.85 -0.42 -5.10 119.74 115.65 2k1n s LYS 42 Ca 0.00 -0.89 -0.16 0.00 -1.00 0.00 0.00 55.97 53.92 2k1n s LYS 42 Cb 0.00 -1.41 0.07 0.00 -2.06 0.00 0.00 37.83 34.43 2k1n s LYS 42 CO 0.00 0.36 0.45 0.42 0.10 0.00 0.00 175.35 176.68 2k1n s ILE 43 N -0.78 5.14 -0.60 3.79 1.01 -1.26 -0.18 121.20 128.31 2k1n s ILE 43 Ca 0.06 -0.88 -0.23 0.00 0.00 0.00 0.00 60.65 59.60 2k1n s ILE 43 Cb -0.08 -4.16 0.05 0.00 0.01 0.00 0.00 42.46 38.28 2k1n s ILE 43 CO 0.01 -0.62 0.96 -0.63 0.00 0.00 0.00 174.94 174.66 2k1n s ILE 44 N 1.91 4.34 -0.11 2.92 1.01 0.13 -4.86 121.20 126.55 2k1n s ILE 44 Ca 0.07 -0.00 -0.29 0.00 0.00 0.00 0.00 60.65 60.42 2k1n s ILE 44 Cb -0.23 -4.61 -0.01 0.00 0.01 0.00 0.00 42.46 37.62 2k1n s ILE 44 CO 0.08 -1.28 1.01 -0.76 0.00 0.00 0.00 174.94 173.98 2k1n s LEU 45 N 4.04 4.24 0.16 2.97 1.02 -1.26 -0.77 118.68 129.08 2k1n s LEU 45 Ca 0.27 1.52 0.07 0.00 0.02 0.00 0.00 54.13 56.01 2k1n s LEU 45 Cb -0.14 -3.55 -0.04 0.00 0.02 0.00 0.00 46.19 42.47 2k1n s LEU 45 CO 0.15 -0.45 -0.15 -0.54 0.02 0.00 0.00 176.35 175.38 2k1n s LYS 46 N 2.04 1.18 0.53 1.70 -0.14 0.10 -5.00 119.74 120.16 2k1n s LYS 46 Ca 0.48 -1.39 0.08 0.00 -1.36 0.00 0.00 55.97 53.78 2k1n s LYS 46 Cb -0.18 -1.08 0.06 0.00 -1.68 0.00 0.00 37.83 34.95 2k1n s LYS 46 CO 0.18 0.20 0.65 0.15 -0.76 0.00 0.00 175.35 175.76 2k1n s LYS 47 N -3.02 2.39 0.65 1.68 1.02 -1.26 -1.41 119.74 119.77 2k1n s LYS 47 Ca 0.15 -1.66 -0.16 0.00 0.02 0.00 0.00 55.97 54.32 2k1n s LYS 47 Cb -0.04 -2.52 -0.01 0.00 -0.52 0.00 0.00 37.83 34.74 2k1n s LYS 47 CO 0.05 -0.67 1.12 1.52 -0.92 0.00 0.00 175.35 176.45 2k1n s TYR 48 N -2.63 2.57 -0.46 3.18 -0.85 -1.26 -4.84 117.35 113.05 2k1n s TYR 48 Ca 0.54 1.55 -0.12 0.00 -0.52 0.00 0.00 57.07 58.53 2k1n s TYR 48 Cb -0.05 -3.22 0.09 0.00 0.38 0.00 0.00 41.96 39.16 2k1n s TYR 48 CO 0.33 -1.77 0.35 0.15 -1.52 0.00 0.00 175.55 173.09 2k1n s LYS 49 N -3.94 2.73 0.00 -3.49 3.01 -1.26 -4.92 119.74 111.87 2k1n s LYS 49 Ca 0.69 -1.54 0.30 0.00 -1.01 0.00 0.00 55.97 54.40 2k1n s LYS 49 Cb -0.22 -3.98 1.40 0.00 -1.01 0.00 0.00 37.83 34.02 2k1n s LYS 49 CO 0.39 -1.08 1.95 -0.35 0.51 0.00 0.00 175.35 176.77 2k1n n PRO 50 N 5.04 1.01 -0.90 -1.68 -0.04 -1.26 -3.65 135.00 133.52 2k1n n PRO 50 Ca -0.11 -0.33 0.01 0.00 -0.04 0.00 0.00 63.50 63.03 2k1n n PRO 50 Cb 0.42 -1.49 0.33 0.00 -0.04 0.00 0.00 33.50 32.72 2k1n n PRO 50 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2k1n n ASN 51 N -0.71 4.97 -0.03 3.54 2.85 -1.26 -0.02 115.26 124.59 2k1n n ASN 51 Ca 0.18 -3.12 -0.20 0.00 -0.11 0.00 0.00 54.58 51.34 2k1n n ASN 51 Cb 0.24 -0.69 -0.13 0.00 1.24 0.00 0.00 39.78 40.44 2k1n n ASN 51 CO 0.00 0.00 0.00 0.24 -2.11 0.00 0.00 177.26 175.39 2k1n h MET 52 N 2.98 0.13 0.00 1.20 2.86 -1.90 -3.41 114.93 116.79 2k1n h MET 52 Ca 0.13 -0.23 -0.15 0.00 -2.06 0.00 0.00 59.70 57.40 2k1n h MET 52 Cb 2.07 0.08 -0.32 0.00 0.06 0.00 0.00 31.60 33.49 2k1n h MET 52 CO 0.57 1.11 -0.94 2.41 1.06 0.00 0.00 176.91 181.12 2k1n n THR 53 N -4.23 0.00 -2.37 2.22 -1.04 -1.26 -5.06 114.28 102.54 2k1n n THR 53 Ca -0.22 -0.82 -0.01 0.00 -2.04 0.00 0.00 64.05 60.97 2k1n n THR 53 Cb 0.74 0.91 -0.01 0.00 -1.82 0.00 0.00 70.33 70.15 2k1n n THR 53 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43