#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 2.92 0.00 0.03 3.01 -1.26 -4.54 119.74 119.90 2k1n s LYS 2 Ca 0.00 -0.61 0.30 0.00 -1.01 0.00 0.00 55.97 54.64 2k1n s LYS 2 Cb 0.00 -2.76 1.64 0.00 -1.01 0.00 0.00 37.83 35.70 2k1n s LYS 2 CO 0.00 0.60 2.07 -1.13 0.51 0.00 0.00 175.35 177.40 2k1n n SER 3 N 0.84 0.00 0.00 2.83 3.41 -1.26 -3.47 113.62 115.97 2k1n n SER 3 Ca -0.11 -0.56 0.08 0.00 -0.26 0.00 0.00 58.87 58.01 2k1n n SER 3 Cb 0.52 -0.13 0.37 0.00 -0.26 0.00 0.00 64.21 64.71 2k1n n SER 3 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2k1n n THR 4 N -1.13 0.68 0.00 6.66 -1.04 -1.26 -4.81 114.28 113.38 2k1n n THR 4 Ca 0.18 0.17 0.00 0.00 -2.04 0.00 0.00 64.05 62.37 2k1n n THR 4 Cb 0.16 -0.91 0.00 0.00 -1.82 0.00 0.00 70.33 67.76 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 0.07 1.52 3.60 3.41 0.00 -1.23 -5.12 105.19 107.44 2k1n n GLY 5 Ca 0.06 -0.55 -0.36 0.00 0.00 0.00 0.00 46.02 45.17 2k1n n GLY 5 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2k1n s ILE 6 N 0.00 4.89 -0.42 -0.61 1.10 -1.25 -5.01 121.20 119.89 2k1n s ILE 6 Ca 0.00 0.01 -0.29 0.00 -0.51 0.00 0.00 60.65 59.86 2k1n s ILE 6 Cb 0.00 -3.25 0.03 0.00 0.15 0.00 0.00 42.46 39.38 2k1n s ILE 6 CO 0.00 0.39 1.10 -0.69 -2.11 0.00 0.00 174.94 173.63 2k1n s VAL 7 N 0.93 4.32 -0.10 4.00 1.01 -1.26 -5.01 120.40 124.29 2k1n s VAL 7 Ca 0.05 1.37 0.00 0.00 0.00 0.00 0.00 61.98 63.41 2k1n s VAL 7 Cb -0.14 -4.53 -0.02 0.00 0.00 0.00 0.00 36.38 31.69 2k1n s VAL 7 CO 0.03 -0.82 -0.11 -0.13 0.00 0.00 0.00 175.10 174.07 2k1n s ARG 8 N 4.14 3.10 0.03 2.72 0.52 -1.26 -5.09 118.95 123.11 2k1n s ARG 8 Ca 0.46 -0.64 -0.30 0.00 -0.52 0.00 0.00 55.73 54.73 2k1n s ARG 8 Cb -0.09 -2.60 -0.06 0.00 0.52 0.00 0.00 34.95 32.72 2k1n s ARG 8 CO 0.26 0.40 1.36 -1.59 0.02 0.00 0.00 175.30 175.75 2k1n s LYS 9 N -0.12 4.31 -0.48 3.54 -2.85 -1.26 -4.97 119.74 117.91 2k1n s LYS 9 Ca -0.00 1.94 -0.26 0.00 -1.00 0.00 0.00 55.97 56.65 2k1n s LYS 9 Cb -0.13 -3.48 0.03 0.00 -2.06 0.00 0.00 37.83 32.19 2k1n s LYS 9 CO 0.03 -0.50 0.95 0.08 0.10 0.00 0.00 175.35 176.02 2k1n s VAL 10 N 1.95 4.43 0.00 1.79 1.01 -1.26 -5.01 120.40 123.31 2k1n s VAL 10 Ca 0.63 0.72 0.00 0.00 0.00 0.00 0.00 61.98 63.32 2k1n s VAL 10 Cb -0.32 -4.47 0.00 0.00 0.00 0.00 0.00 36.38 31.59 2k1n s VAL 10 CO 0.27 -0.91 0.00 -0.67 0.00 0.00 0.00 175.10 173.80 2k1n n ASP 11 N 7.30 -0.38 -1.47 3.32 -0.08 -1.26 -4.84 116.55 119.14 2k1n n ASP 11 Ca 0.06 -0.76 0.00 0.00 -1.51 0.00 0.00 54.79 52.58 2k1n n ASP 11 Cb 0.48 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.94 2k1n n ASP 11 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2k1n n GLU 12 N -1.14 0.60 0.00 -0.67 1.02 -1.26 -2.65 120.64 116.53 2k1n n GLU 12 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2k1n n GLU 12 Cb 0.00 -1.20 0.00 0.00 -0.02 0.00 0.00 31.44 30.22 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 1.37 0.84 -1.31 -4.62 7.99 -1.26 -5.02 117.00 114.99 2k1n n LEU 13 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 56.01 55.88 2k1n n LEU 13 Cb 0.30 0.00 -0.01 0.00 -0.11 0.00 0.00 43.42 43.60 2k1n n LEU 13 CO 0.00 0.14 -0.15 0.61 -1.51 0.00 0.00 177.39 176.48 2k1n n GLY 14 N 2.97 -0.02 3.47 -0.72 0.00 -1.09 -5.01 105.19 104.79 2k1n n GLY 14 Ca 0.00 -0.40 -0.25 0.00 0.00 0.00 0.00 46.02 45.38 2k1n n GLY 14 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2k1n s ARG 15 N -4.48 1.69 -0.37 1.61 6.06 -1.26 -5.10 118.95 117.10 2k1n s ARG 15 Ca 0.00 -1.70 -0.18 0.00 -2.50 0.00 0.00 55.73 51.35 2k1n s ARG 15 Cb 0.00 -1.81 0.00 0.00 0.06 0.00 0.00 34.95 33.20 2k1n s ARG 15 CO 0.00 0.35 0.48 0.08 -2.50 0.00 0.00 175.30 173.70 2k1n s VAL 16 N -2.34 5.05 -0.50 7.11 1.01 -1.26 -4.80 120.40 124.67 2k1n s VAL 16 Ca 0.28 0.15 -0.22 0.00 0.00 0.00 0.00 61.98 62.20 2k1n s VAL 16 Cb -0.06 -3.96 0.04 0.00 0.00 0.00 0.00 36.38 32.40 2k1n s VAL 16 CO 0.14 -0.25 0.75 0.68 0.00 0.00 0.00 175.10 176.43 2k1n s VAL 17 N 2.31 4.68 -0.08 2.92 -7.23 -1.26 -5.03 120.40 116.70 2k1n s VAL 17 Ca 0.16 -0.02 -0.28 0.00 -1.81 0.00 0.00 61.98 60.04 2k1n s VAL 17 Cb -0.16 -4.37 -0.02 0.00 0.56 0.00 0.00 36.38 32.39 2k1n s VAL 17 CO 0.13 -0.86 0.92 -0.51 -0.31 0.00 0.00 175.10 174.48 2k1n s ILE 18 N 3.18 4.87 0.99 -0.62 1.10 -1.26 -5.04 121.20 124.42 2k1n s ILE 18 Ca 0.23 1.89 -0.11 0.00 -0.51 0.00 0.00 60.65 62.16 2k1n s ILE 18 Cb -0.15 -4.25 0.19 0.00 0.15 0.00 0.00 42.46 38.40 2k1n s ILE 18 CO 0.17 0.09 1.09 -2.84 -2.11 0.00 0.00 174.94 171.35 2k1n s PRO 19 N 1.53 0.46 0.07 3.50 0.02 -1.26 -4.78 135.00 134.54 2k1n s PRO 19 Ca 0.46 1.18 -0.20 0.00 0.02 0.00 0.00 61.00 62.46 2k1n s PRO 19 Cb -0.19 -1.69 -0.11 0.00 0.02 0.00 0.00 34.50 32.54 2k1n s PRO 19 CO 0.20 -2.90 1.56 0.82 -0.33 0.00 0.00 177.00 176.35 2k1n h ILE 20 N -2.04 1.21 0.14 2.83 2.04 -1.96 0.18 117.51 119.91 2k1n h ILE 20 Ca -0.50 -0.68 0.00 0.00 1.00 0.00 0.00 64.86 64.68 2k1n h ILE 20 Cb 1.29 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 38.69 2k1n h ILE 20 CO 0.47 0.21 -0.13 -0.33 0.00 0.00 0.00 178.15 178.36 2k1n h GLU 21 N 0.09 -0.28 -0.77 2.37 5.08 -1.93 -1.43 114.58 117.70 2k1n h GLU 21 Ca 0.05 0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.40 2k1n h GLU 21 Cb 0.28 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 2k1n h GLU 21 CO 0.00 -0.19 0.33 -0.07 -1.00 0.00 0.00 179.01 178.08 2k1n h LEU 22 N -0.30 1.04 -1.02 1.33 3.38 -1.78 -1.45 115.31 116.51 2k1n h LEU 22 Ca 0.00 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 2k1n h LEU 22 Cb 0.28 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 2k1n h LEU 22 CO -0.03 0.91 0.29 -0.09 0.09 0.00 0.00 178.44 179.61 2k1n h ARG 23 N 1.10 0.99 0.00 1.13 2.43 -0.71 0.45 114.38 119.77 2k1n h ARG 23 Ca 0.26 -0.15 -0.09 0.00 -0.81 0.00 0.00 59.98 59.19 2k1n h ARG 23 Cb 0.17 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 2k1n h ARG 23 CO -0.03 0.79 -0.41 0.00 -1.51 0.00 0.00 179.97 178.82 2k1n h ARG 24 N 0.98 0.00 0.00 0.20 -0.00 -0.86 -2.86 114.38 111.84 2k1n h ARG 24 Ca 0.23 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.71 2k1n h ARG 24 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.13 2k1n h ARG 24 CO -0.02 0.41 -0.45 2.41 0.00 0.00 0.00 179.97 182.31 2k1n n THR 25 N -3.45 0.36 -0.06 2.04 -1.04 -0.58 -3.85 114.28 107.70 2k1n n THR 25 Ca 0.00 -0.24 0.02 0.00 -2.04 0.00 0.00 64.05 61.79 2k1n n THR 25 Cb 0.56 -0.21 0.34 0.00 -1.82 0.00 0.00 70.33 69.21 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 0.00 0.58 0.34 -4.42 3.38 -0.69 -3.47 115.31 111.03 2k1n h LEU 26 Ca 0.00 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 2k1n h LEU 26 Cb 0.71 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2k1n h LEU 26 CO 0.00 0.48 -0.10 0.61 0.09 0.00 0.00 178.44 179.52 2k1n n GLY 27 N -1.30 0.28 3.57 0.83 0.00 -1.25 -4.76 105.19 102.55 2k1n n GLY 27 Ca 0.04 -0.70 -0.28 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.30 0.61 0.49 -0.61 -4.36 -1.26 -3.24 121.20 110.53 2k1n s ILE 28 Ca 0.01 -2.00 -0.05 0.00 -0.26 0.00 0.00 60.65 58.35 2k1n s ILE 28 Cb -0.01 -2.25 0.11 0.00 1.25 0.00 0.00 42.46 41.56 2k1n s ILE 28 CO 0.02 0.00 0.67 0.00 0.24 0.00 0.00 174.94 175.86 2k1n n ALA 29 N -1.01 -0.45 0.22 2.27 0.00 -1.26 -5.03 120.51 115.25 2k1n n ALA 29 Ca -0.09 -1.02 -0.13 0.00 0.00 0.00 0.00 53.44 52.20 2k1n n ALA 29 Cb 0.65 0.05 -0.07 0.00 0.00 0.00 0.00 19.45 20.08 2k1n n ALA 29 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2k1n h GLU 30 N 0.00 -0.58 -3.44 0.00 4.39 -2.02 -3.38 114.58 109.55 2k1n h GLU 30 Ca -0.22 0.04 -0.70 0.00 0.34 0.00 0.00 59.36 58.83 2k1n h GLU 30 Cb 0.67 0.13 -0.36 0.00 -0.10 0.00 0.00 28.75 29.09 2k1n h GLU 30 CO 0.18 -0.28 -0.27 0.15 -1.16 0.00 0.00 179.01 177.63 2k1n s LYS 31 N -4.41 2.84 0.50 2.33 1.02 -1.26 -5.05 119.74 115.70 2k1n s LYS 31 Ca -0.13 -2.87 0.04 0.00 0.02 0.00 0.00 55.97 53.03 2k1n s LYS 31 Cb 0.02 -3.80 0.04 0.00 -0.52 0.00 0.00 37.83 33.57 2k1n s LYS 31 CO 0.46 -1.22 0.37 -3.47 -0.92 0.00 0.00 175.35 170.57 2k1n n ASP 32 N 2.95 2.61 -4.61 2.83 -0.08 -1.26 -5.14 116.55 113.84 2k1n n ASP 32 Ca 0.14 -2.72 -0.32 0.00 -1.51 0.00 0.00 54.79 50.38 2k1n n ASP 32 Cb 0.37 -0.03 -0.10 0.00 2.34 0.00 0.00 41.12 43.70 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 -2.72 3.07 0.06 -1.67 0.00 -1.26 -5.12 121.76 114.12 2k1n s ALA 33 Ca 0.28 -1.05 0.05 0.00 0.00 0.00 0.00 51.96 51.24 2k1n s ALA 33 Cb -0.02 -1.13 -0.03 0.00 0.00 0.00 0.00 23.12 21.94 2k1n s ALA 33 CO 0.18 0.63 -0.13 -0.51 0.00 0.00 0.00 175.76 175.93 2k1n s LEU 34 N -1.62 2.24 -0.45 0.00 1.02 -1.26 -4.59 118.68 114.01 2k1n s LEU 34 Ca 0.19 -0.55 -0.17 0.00 0.02 0.00 0.00 54.13 53.62 2k1n s LEU 34 Cb -0.11 -0.49 0.04 0.00 0.02 0.00 0.00 46.19 45.65 2k1n s LEU 34 CO 0.10 -0.06 0.45 -1.61 0.02 0.00 0.00 176.35 175.25 2k1n s GLU 35 N -1.49 3.05 -0.45 1.70 2.02 0.26 -4.95 118.70 118.84 2k1n s GLU 35 Ca -0.02 -0.98 -0.23 0.00 0.02 0.00 0.00 54.97 53.76 2k1n s GLU 35 Cb -0.09 -4.04 0.03 0.00 0.10 0.00 0.00 34.13 30.12 2k1n s GLU 35 CO 0.02 -0.96 0.80 0.42 0.02 0.00 0.00 175.26 175.56 2k1n s ILE 36 N 2.05 4.63 -0.42 -1.63 1.01 -1.26 -0.67 121.20 124.90 2k1n s ILE 36 Ca 0.10 0.48 -0.07 0.00 0.00 0.00 0.00 60.65 61.15 2k1n s ILE 36 Cb -0.20 -4.33 0.10 0.00 0.01 0.00 0.00 42.46 38.04 2k1n s ILE 36 CO 0.11 -0.73 0.26 -0.47 0.00 0.00 0.00 174.94 174.11 2k1n s TYR 37 N 3.35 3.42 -0.35 3.97 5.04 0.24 -4.98 117.35 128.03 2k1n s TYR 37 Ca 0.31 -1.87 -0.25 0.00 -2.44 0.00 0.00 57.07 52.82 2k1n s TYR 37 Cb -0.12 -3.13 0.01 0.00 0.35 0.00 0.00 41.96 39.07 2k1n s TYR 37 CO 0.23 -0.92 0.86 0.08 -1.34 0.00 0.00 175.55 174.46 2k1n s VAL 38 N 1.33 4.68 -0.41 3.14 1.01 -1.26 -0.61 120.40 128.27 2k1n s VAL 38 Ca 0.05 1.12 0.03 0.00 0.00 0.00 0.00 61.98 63.18 2k1n s VAL 38 Cb -0.24 -4.26 0.12 0.00 0.00 0.00 0.00 36.38 32.00 2k1n s VAL 38 CO -0.00 -0.43 0.16 -0.62 0.00 0.00 0.00 175.10 174.20 2k1n s ASP 39 N 1.79 4.35 0.26 3.32 2.15 0.73 -5.00 116.67 124.27 2k1n s ASP 39 Ca 0.35 -2.46 0.00 0.00 0.43 0.00 0.00 52.55 50.87 2k1n s ASP 39 Cb -0.13 -1.45 0.00 0.00 -0.30 0.00 0.00 42.92 41.04 2k1n s ASP 39 CO 0.16 -0.32 0.00 0.47 -0.17 0.00 0.00 175.17 175.32 2k1n n ASP 40 N 3.82 0.00 -0.04 -0.34 8.00 -1.26 -1.21 116.55 125.52 2k1n n ASP 40 Ca 0.04 0.00 0.03 0.00 0.71 0.00 0.00 54.79 55.57 2k1n n ASP 40 Cb 0.37 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.52 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 2.15 -4.78 -1.24 0.28 -1.26 -5.02 120.64 110.76 2k1n n GLU 41 Ca 0.00 -1.72 -0.26 0.00 -0.16 0.00 0.00 57.16 55.02 2k1n n GLU 41 Cb 0.00 -1.09 -0.15 0.00 1.43 0.00 0.00 31.44 31.63 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 -1.43 1.47 -0.30 3.44 -2.85 -0.35 -5.11 119.74 114.60 2k1n s LYS 42 Ca 0.09 -0.82 -0.00 0.00 -1.00 0.00 0.00 55.97 54.24 2k1n s LYS 42 Cb 0.08 -1.51 0.06 0.00 -2.06 0.00 0.00 37.83 34.41 2k1n s LYS 42 CO 0.01 0.40 -0.00 0.42 0.10 0.00 0.00 175.35 176.28 2k1n s ILE 43 N -0.64 2.78 -0.38 3.79 1.01 -1.26 -0.19 121.20 126.31 2k1n s ILE 43 Ca 0.07 -1.58 -0.19 0.00 0.00 0.00 0.00 60.65 58.95 2k1n s ILE 43 Cb -0.08 -2.67 0.01 0.00 0.01 0.00 0.00 42.46 39.72 2k1n s ILE 43 CO 0.01 -0.18 0.56 -0.63 0.00 0.00 0.00 174.94 174.70 2k1n s ILE 44 N 1.18 4.95 -0.57 2.92 1.01 0.22 -4.92 121.20 125.99 2k1n s ILE 44 Ca -0.04 0.28 -0.17 0.00 0.00 0.00 0.00 60.65 60.73 2k1n s ILE 44 Cb -0.20 -4.05 0.12 0.00 0.01 0.00 0.00 42.46 38.34 2k1n s ILE 44 CO -0.03 -0.35 0.59 -0.76 0.00 0.00 0.00 174.94 174.40 2k1n s LEU 45 N 2.54 5.93 -0.39 2.97 1.43 -1.26 -0.60 118.68 129.31 2k1n s LEU 45 Ca 0.20 -1.71 -0.25 0.00 -1.03 0.00 0.00 54.13 51.34 2k1n s LEU 45 Cb -0.15 -2.24 0.02 0.00 0.03 0.00 0.00 46.19 43.84 2k1n s LEU 45 CO 0.15 -0.94 0.91 -0.54 0.23 0.00 0.00 176.35 176.16 2k1n s LYS 46 N 1.93 3.76 0.46 1.70 1.02 0.15 -4.87 119.74 123.90 2k1n s LYS 46 Ca 0.07 0.45 0.05 0.00 0.02 0.00 0.00 55.97 56.55 2k1n s LYS 46 Cb -0.27 -3.83 -0.04 0.00 -0.52 0.00 0.00 37.83 33.17 2k1n s LYS 46 CO 0.03 -1.00 0.08 -1.59 -0.92 0.00 0.00 175.35 171.95 2k1n s LYS 47 N 3.50 2.13 0.53 1.68 -2.85 -1.26 -0.57 119.74 122.89 2k1n s LYS 47 Ca 0.37 -2.17 -0.03 0.00 -1.00 0.00 0.00 55.97 53.14 2k1n s LYS 47 Cb -0.12 -1.71 0.11 0.00 -2.06 0.00 0.00 37.83 34.06 2k1n s LYS 47 CO 0.20 -0.24 0.72 0.66 0.10 0.00 0.00 175.35 176.79 2k1n n TYR 48 N -1.22 -3.37 -2.73 1.78 4.01 -1.26 -5.03 117.16 109.33 2k1n n TYR 48 Ca -0.10 -1.03 -0.08 0.00 -0.16 0.00 0.00 57.90 56.53 2k1n n TYR 48 Cb 0.66 -0.54 0.08 0.00 -0.31 0.00 0.00 39.34 39.24 2k1n n TYR 48 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 2k1n n LYS 49 N -2.40 0.85 0.30 -0.72 2.85 -1.26 -4.79 118.16 112.99 2k1n n LYS 49 Ca 0.11 -1.74 0.18 0.00 -1.05 0.00 0.00 58.31 55.81 2k1n n LYS 49 Cb 0.38 -1.08 0.92 0.00 -0.65 0.00 0.00 35.03 34.60 2k1n n LYS 49 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 177.40 176.35 2k1n h PRO 50 N 3.27 0.00 0.00 -1.58 0.13 -1.92 -1.46 132.00 130.44 2k1n h PRO 50 Ca -0.14 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.95 2k1n h PRO 50 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 2k1n h PRO 50 CO 0.17 0.04 -0.22 -0.97 -0.23 0.00 0.00 178.00 176.79 2k1n h ASN 51 N 0.00 0.00 -0.16 1.44 -1.24 -1.93 -3.20 115.58 110.50 2k1n h ASN 51 Ca -0.00 0.00 -0.18 0.00 0.71 0.00 0.00 56.30 56.83 2k1n h ASN 51 Cb 0.21 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.27 2k1n h ASN 51 CO 0.01 0.22 -0.62 -0.03 -1.29 0.00 0.00 177.43 175.72 2k1n h MET 52 N 0.00 0.69 -1.33 6.67 4.05 -1.54 -3.18 114.93 120.29 2k1n h MET 52 Ca -0.00 -0.54 -0.41 0.00 -0.28 0.00 0.00 59.70 58.47 2k1n h MET 52 Cb 0.96 0.10 -0.18 0.00 -0.80 0.00 0.00 31.60 31.68 2k1n h MET 52 CO 0.03 1.16 0.53 0.25 0.23 0.00 0.00 176.91 179.11 2k1n n THR 53 N -4.08 2.95 -2.82 -0.77 -2.24 -1.21 -4.83 114.28 101.27 2k1n n THR 53 Ca -0.07 -1.93 -0.43 0.00 -2.27 0.00 0.00 64.05 59.35 2k1n n THR 53 Cb 0.66 -1.22 -0.02 0.00 -2.10 0.00 0.00 70.33 67.66 2k1n n THR 53 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50