#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 3.94 -0.50 0.03 3.01 -1.26 -4.70 119.74 120.26 2k1n s LYS 2 Ca 0.00 -1.95 -0.00 0.00 -1.01 0.00 0.00 55.97 53.01 2k1n s LYS 2 Cb 0.00 -5.44 0.43 0.00 -1.01 0.00 0.00 37.83 31.81 2k1n s LYS 2 CO 0.00 -2.18 1.95 0.43 0.51 0.00 0.00 175.35 176.06 2k1n n SER 3 N 8.07 6.19 -2.50 2.83 7.64 -1.26 -4.53 113.62 130.06 2k1n n SER 3 Ca 0.45 -3.49 -0.27 0.00 1.01 0.00 0.00 58.87 56.58 2k1n n SER 3 Cb 0.46 -0.94 -0.06 0.00 -1.01 0.00 0.00 64.21 62.66 2k1n n SER 3 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2k1n n THR 4 N -0.62 3.37 0.00 0.44 -2.24 -1.26 -4.42 114.28 109.55 2k1n n THR 4 Ca 0.51 -2.95 0.00 0.00 -2.27 0.00 0.00 64.05 59.34 2k1n n THR 4 Cb 0.89 -1.64 0.00 0.00 -2.10 0.00 0.00 70.33 67.48 2k1n n THR 4 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2k1n n GLY 5 N 1.01 0.74 3.25 3.38 0.00 -1.26 -5.14 105.19 107.17 2k1n n GLY 5 Ca 0.49 -0.54 -0.17 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.46 1.31 -0.12 -0.61 1.10 -1.26 -5.13 121.20 115.03 2k1n s ILE 6 Ca 0.00 -1.79 -0.18 0.00 -0.51 0.00 0.00 60.65 58.18 2k1n s ILE 6 Cb 0.00 -1.59 -0.04 0.00 0.15 0.00 0.00 42.46 40.98 2k1n s ILE 6 CO 0.00 -0.48 0.46 0.68 -2.11 0.00 0.00 174.94 173.50 2k1n s VAL 7 N -2.35 5.20 -0.27 4.00 -7.23 -1.26 -5.01 120.40 113.48 2k1n s VAL 7 Ca 0.10 0.92 -0.08 0.00 -1.81 0.00 0.00 61.98 61.11 2k1n s VAL 7 Cb -0.04 -3.80 -0.02 0.00 0.56 0.00 0.00 36.38 33.08 2k1n s VAL 7 CO 0.03 0.33 0.09 -0.60 -0.31 0.00 0.00 175.10 174.63 2k1n s ARG 8 N 0.63 3.51 0.19 4.82 3.00 -1.26 -5.06 118.95 124.77 2k1n s ARG 8 Ca 0.25 -0.58 -0.33 0.00 -1.00 0.00 0.00 55.73 54.07 2k1n s ARG 8 Cb -0.15 -3.37 -0.13 0.00 0.00 0.00 0.00 34.95 31.30 2k1n s ARG 8 CO 0.10 -0.27 1.61 1.17 0.00 0.00 0.00 175.30 177.91 2k1n n LYS 9 N 4.93 2.35 -1.84 5.12 4.81 -1.26 -4.89 118.16 127.39 2k1n n LYS 9 Ca -0.15 0.85 -0.42 0.00 -0.87 0.00 0.00 58.31 57.71 2k1n n LYS 9 Cb 0.50 -2.63 -0.03 0.00 0.02 0.00 0.00 35.03 32.90 2k1n n LYS 9 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2k1n s VAL 10 N 0.86 2.86 -0.00 3.15 1.01 -1.26 -4.89 120.40 122.12 2k1n s VAL 10 Ca 0.76 0.30 -0.19 0.00 0.00 0.00 0.00 61.98 62.85 2k1n s VAL 10 Cb -0.62 -3.19 -0.28 0.00 0.00 0.00 0.00 36.38 32.28 2k1n s VAL 10 CO 0.38 -0.00 1.01 -2.24 0.00 0.00 0.00 175.10 174.25 2k1n h ASP 11 N 8.59 0.60 0.00 3.32 3.04 -1.90 -3.45 116.42 126.62 2k1n h ASP 11 Ca -0.44 -0.86 0.00 0.00 -3.24 0.00 0.00 57.03 52.49 2k1n h ASP 11 Cb 1.21 -0.19 0.00 0.00 -1.04 0.00 0.00 39.33 39.31 2k1n h ASP 11 CO 0.94 1.40 0.00 1.21 -2.04 0.00 0.00 179.24 180.74 2k1n n GLU 12 N -4.07 0.00 -1.09 4.15 4.07 -1.26 -5.16 120.64 117.28 2k1n n GLU 12 Ca -0.13 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.97 2k1n n GLU 12 Cb 0.82 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 32.20 2k1n n GLU 12 CO 0.00 0.00 0.00 1.47 -0.06 0.00 0.00 177.13 178.54 2k1n n LEU 13 N -0.24 0.00 -3.50 4.31 -0.00 -1.26 -5.04 117.00 111.27 2k1n n LEU 13 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 56.01 55.62 2k1n n LEU 13 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.40 2k1n n LEU 13 CO 0.00 0.00 2.94 0.61 -0.00 0.00 0.00 177.39 180.94 2k1n n GLY 14 N 0.00 4.13 3.46 1.47 0.00 -1.26 -4.86 105.19 108.12 2k1n n GLY 14 Ca 0.00 -1.47 -0.29 0.00 0.00 0.00 0.00 46.02 44.25 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 2.89 1.73 0.15 1.61 3.00 -1.26 -5.13 118.95 121.94 2k1n s ARG 15 Ca 0.57 -1.19 -0.03 0.00 -1.00 0.00 0.00 55.73 54.08 2k1n s ARG 15 Cb 0.15 -2.07 0.01 0.00 0.00 0.00 0.00 34.95 33.05 2k1n s ARG 15 CO -0.06 0.48 0.25 1.55 0.00 0.00 0.00 175.30 177.52 2k1n n VAL 16 N 0.96 0.00 -4.13 7.11 3.14 -1.26 -4.82 118.33 119.33 2k1n n VAL 16 Ca -0.16 -0.58 -0.13 0.00 -2.96 0.00 0.00 64.34 60.51 2k1n n VAL 16 Cb 0.53 0.42 -0.05 0.00 -1.06 0.00 0.00 33.84 33.68 2k1n n VAL 16 CO 0.00 0.00 0.00 1.33 -6.46 0.00 0.00 176.83 171.70 2k1n n VAL 17 N -0.22 0.00 -4.58 1.55 0.24 -1.26 -5.16 118.33 108.90 2k1n n VAL 17 Ca -0.01 -1.61 -0.33 0.00 -2.04 0.00 0.00 64.34 60.34 2k1n n VAL 17 Cb 0.24 0.84 -0.15 0.00 -1.47 0.00 0.00 33.84 33.30 2k1n n VAL 17 CO 0.00 0.00 0.00 -0.51 -2.14 0.00 0.00 176.83 174.18 2k1n s ILE 18 N -2.90 2.92 1.03 1.34 1.10 -1.26 -5.12 121.20 118.32 2k1n s ILE 18 Ca 0.26 -0.69 -0.16 0.00 -0.51 0.00 0.00 60.65 59.56 2k1n s ILE 18 Cb 0.01 -2.24 0.06 0.00 0.15 0.00 0.00 42.46 40.44 2k1n s ILE 18 CO 0.19 0.51 0.17 -2.65 -2.11 0.00 0.00 174.94 171.05 2k1n n PRO 19 N 3.88 -0.90 -0.04 3.50 -0.02 -1.26 -4.96 135.00 135.21 2k1n n PRO 19 Ca -0.19 -0.23 -0.21 0.00 -2.02 0.00 0.00 63.50 60.85 2k1n n PRO 19 Cb 0.52 -1.76 -0.13 0.00 -0.02 0.00 0.00 33.50 32.11 2k1n n PRO 19 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 2k1n n ILE 20 N -3.97 1.69 0.34 4.25 3.06 -1.26 -3.46 119.36 120.01 2k1n n ILE 20 Ca 0.04 -0.60 -0.17 0.00 -2.50 0.00 0.00 62.75 59.51 2k1n n ILE 20 Cb 0.58 -1.67 -0.09 0.00 0.54 0.00 0.00 39.64 39.00 2k1n n ILE 20 CO 0.00 0.00 0.00 -0.33 -2.50 0.00 0.00 176.55 173.72 2k1n h GLU 21 N -0.02 -0.80 -0.54 9.51 3.07 -1.94 0.89 114.58 124.76 2k1n h GLU 21 Ca -0.47 0.05 -0.03 0.00 -0.50 0.00 0.00 59.36 58.42 2k1n h GLU 21 Cb 1.96 0.18 -0.03 0.00 -0.84 0.00 0.00 28.75 30.02 2k1n h GLU 21 CO 0.02 -0.52 0.23 -0.07 -1.40 0.00 0.00 179.01 177.27 2k1n h LEU 22 N -0.85 0.70 -0.44 1.33 3.38 -1.91 0.20 115.31 117.72 2k1n h LEU 22 Ca -0.08 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 2k1n h LEU 22 Cb 0.64 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 2k1n h LEU 22 CO 0.14 0.62 0.15 -0.09 0.09 0.00 0.00 178.44 179.34 2k1n h ARG 23 N 0.77 0.68 -0.01 1.13 2.43 -1.53 -1.88 114.38 115.97 2k1n h ARG 23 Ca 0.19 -0.14 -0.11 0.00 -0.81 0.00 0.00 59.98 59.11 2k1n h ARG 23 Cb 0.13 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 2k1n h ARG 23 CO -0.02 0.65 -0.50 -0.09 -1.51 0.00 0.00 179.97 178.50 2k1n h ARG 24 N 0.57 0.03 0.00 0.20 2.43 -0.35 -2.72 114.38 114.54 2k1n h ARG 24 Ca 0.14 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.23 2k1n h ARG 24 Cb 0.25 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 2k1n h ARG 24 CO -0.01 0.52 -0.34 1.15 -1.51 0.00 0.00 179.97 179.79 2k1n h THR 25 N 0.02 1.04 0.00 0.20 2.02 -0.49 -2.31 112.91 113.40 2k1n h THR 25 Ca -0.00 -1.24 0.00 0.00 0.77 0.00 0.00 66.41 65.94 2k1n h THR 25 Cb 0.89 1.71 0.00 0.00 -1.74 0.00 0.00 68.15 69.01 2k1n h THR 25 CO 0.07 0.33 -0.23 0.18 0.37 0.00 0.00 175.52 176.24 2k1n n LEU 26 N -3.85 0.79 0.00 2.58 4.77 -0.75 -4.94 117.00 115.60 2k1n n LEU 26 Ca -0.01 0.45 0.00 0.00 -0.03 0.00 0.00 56.01 56.42 2k1n n LEU 26 Cb 0.41 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 2k1n n LEU 26 CO 0.37 -0.14 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 2k1n n GLY 27 N 1.32 2.01 3.58 -0.72 0.00 -0.87 -4.86 105.19 105.64 2k1n n GLY 27 Ca 0.05 -0.27 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 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 0.00 4.11 -1.50 -0.61 -4.36 -1.26 -4.67 121.20 112.91 2k1n s ILE 28 Ca 0.00 -1.88 0.24 0.00 -0.26 0.00 0.00 60.65 58.75 2k1n s ILE 28 Cb 0.00 -5.19 0.01 0.00 1.25 0.00 0.00 42.46 38.53 2k1n s ILE 28 CO 0.00 -2.03 1.23 0.00 0.24 0.00 0.00 174.94 174.39 2k1n n ALA 29 N 8.41 3.74 -1.00 2.27 0.00 -1.25 -4.92 120.51 127.75 2k1n n ALA 29 Ca 0.48 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2k1n n ALA 29 Cb 0.46 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.97 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 -0.84 0.82 -1.77 0.00 0.28 -1.26 -4.99 120.64 112.87 2k1n n GLU 30 Ca 0.08 0.00 -0.39 0.00 -0.16 0.00 0.00 57.16 56.69 2k1n n GLU 30 Cb 0.38 0.00 0.04 0.00 1.43 0.00 0.00 31.44 33.28 2k1n n GLU 30 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 2k1n s LYS 31 N -0.54 3.24 0.00 3.44 0.00 -1.26 -5.00 119.74 119.62 2k1n s LYS 31 Ca 0.00 2.29 0.00 0.00 0.00 0.00 0.00 55.97 58.26 2k1n s LYS 31 Cb 0.00 -2.34 0.00 0.00 0.00 0.00 0.00 37.83 35.49 2k1n s LYS 31 CO 0.00 -1.13 0.00 -3.47 0.00 0.00 0.00 175.35 170.75 2k1n n ASP 32 N -0.86 0.00 -4.51 0.03 -0.08 -1.26 -5.14 116.55 104.73 2k1n n ASP 32 Ca 0.09 -0.07 -0.27 0.00 -1.51 0.00 0.00 54.79 53.03 2k1n n ASP 32 Cb 0.44 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.80 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 -1.31 2.77 -0.41 -1.67 0.00 -1.26 -5.11 121.76 114.78 2k1n s ALA 33 Ca 0.00 -1.52 -0.07 0.00 0.00 0.00 0.00 51.96 50.36 2k1n s ALA 33 Cb 0.00 -0.58 0.09 0.00 0.00 0.00 0.00 23.12 22.62 2k1n s ALA 33 CO 0.00 0.46 0.23 -1.17 0.00 0.00 0.00 175.76 175.28 2k1n s LEU 34 N -2.71 5.10 -0.51 0.00 2.96 -1.26 -4.13 118.68 118.13 2k1n s LEU 34 Ca 0.23 -1.63 -0.22 0.00 -0.22 0.00 0.00 54.13 52.28 2k1n s LEU 34 Cb -0.09 -1.93 0.04 0.00 0.50 0.00 0.00 46.19 44.71 2k1n s LEU 34 CO 0.13 -0.53 0.81 -0.70 -1.32 0.00 0.00 176.35 174.74 2k1n s GLU 35 N 1.34 3.30 -0.65 1.98 2.12 0.14 -4.90 118.70 122.02 2k1n s GLU 35 Ca 0.04 -0.38 -0.21 0.00 0.36 0.00 0.00 54.97 54.78 2k1n s GLU 35 Cb -0.23 -4.03 0.09 0.00 0.26 0.00 0.00 34.13 30.22 2k1n s GLU 35 CO 0.00 -1.30 0.89 0.42 -0.54 0.00 0.00 175.26 174.73 2k1n s ILE 36 N 3.40 4.52 -0.32 -3.70 1.01 -1.26 -0.05 121.20 124.80 2k1n s ILE 36 Ca 0.26 -0.66 -0.06 0.00 0.00 0.00 0.00 60.65 60.19 2k1n s ILE 36 Cb -0.14 -4.63 0.03 0.00 0.01 0.00 0.00 42.46 37.73 2k1n s ILE 36 CO 0.18 -1.35 0.09 -0.47 0.00 0.00 0.00 174.94 173.39 2k1n s TYR 37 N 3.50 3.21 -0.44 3.97 5.04 0.29 -4.98 117.35 127.95 2k1n s TYR 37 Ca 0.19 -1.30 -0.24 0.00 -2.44 0.00 0.00 57.07 53.28 2k1n s TYR 37 Cb -0.19 -2.26 0.02 0.00 0.35 0.00 0.00 41.96 39.89 2k1n s TYR 37 CO 0.08 -0.69 0.84 0.08 -1.34 0.00 0.00 175.55 174.52 2k1n s VAL 38 N 1.43 4.59 -0.43 3.14 1.01 -1.26 -0.11 120.40 128.77 2k1n s VAL 38 Ca -0.00 0.64 -0.10 0.00 0.00 0.00 0.00 61.98 62.51 2k1n s VAL 38 Cb -0.19 -4.35 0.08 0.00 0.00 0.00 0.00 36.38 31.93 2k1n s VAL 38 CO 0.02 -0.71 0.28 -0.62 0.00 0.00 0.00 175.10 174.08 2k1n s ASP 39 N 2.13 5.72 0.00 3.32 2.15 0.56 -4.86 116.67 125.70 2k1n s ASP 39 Ca 0.33 -1.48 0.00 0.00 0.43 0.00 0.00 52.55 51.83 2k1n s ASP 39 Cb -0.12 -2.02 0.00 0.00 -0.30 0.00 0.00 42.92 40.48 2k1n s ASP 39 CO 0.23 -0.56 0.00 -0.67 -0.17 0.00 0.00 175.17 174.00 2k1n n ASP 40 N 4.96 0.00 -0.22 -0.34 2.03 -1.26 -0.88 116.55 120.85 2k1n n ASP 40 Ca -0.10 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.21 2k1n n ASP 40 Cb 0.43 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.83 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 -4.50 -0.67 0.28 -1.26 -5.09 120.64 109.40 2k1n n GLU 41 Ca 0.00 -0.36 -0.34 0.00 -0.16 0.00 0.00 57.16 56.30 2k1n n GLU 41 Cb 0.00 -0.25 -0.11 0.00 1.43 0.00 0.00 31.44 32.51 2k1n n GLU 41 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2k1n s LYS 42 N 0.00 3.14 -0.65 3.44 3.01 -0.06 -5.07 119.74 123.56 2k1n s LYS 42 Ca 0.00 -0.51 -0.19 0.00 -1.01 0.00 0.00 55.97 54.26 2k1n s LYS 42 Cb 0.00 -2.75 0.11 0.00 -1.01 0.00 0.00 37.83 34.19 2k1n s LYS 42 CO 0.00 0.51 0.76 0.42 0.51 0.00 0.00 175.35 177.55 2k1n s ILE 43 N -0.37 4.84 -0.49 2.17 1.01 -1.26 -0.32 121.20 126.77 2k1n s ILE 43 Ca 0.06 -1.12 -0.21 0.00 0.00 0.00 0.00 60.65 59.37 2k1n s ILE 43 Cb -0.12 -4.53 0.04 0.00 0.01 0.00 0.00 42.46 37.86 2k1n s ILE 43 CO 0.02 -1.18 0.74 -0.63 0.00 0.00 0.00 174.94 173.89 2k1n s ILE 44 N 2.58 4.70 -0.31 2.92 1.01 0.84 -4.93 121.20 128.00 2k1n s ILE 44 Ca 0.15 -0.01 -0.17 0.00 0.00 0.00 0.00 60.65 60.61 2k1n s ILE 44 Cb -0.21 -4.35 -0.02 0.00 0.01 0.00 0.00 42.46 37.90 2k1n s ILE 44 CO 0.04 -0.83 0.49 -0.76 0.00 0.00 0.00 174.94 173.88 2k1n s LEU 45 N 3.13 4.22 0.00 2.97 1.43 -1.26 -0.55 118.68 128.62 2k1n s LEU 45 Ca 0.23 0.17 0.00 0.00 -1.03 0.00 0.00 54.13 53.50 2k1n s LEU 45 Cb -0.15 -2.58 -0.00 0.00 0.03 0.00 0.00 46.19 43.49 2k1n s LEU 45 CO 0.17 -0.38 0.00 0.29 0.23 0.00 0.00 176.35 176.66 2k1n n LYS 46 N 5.62 1.69 0.00 1.70 5.02 0.93 -4.90 118.16 128.22 2k1n n LYS 46 Ca -0.05 -0.87 0.00 0.00 -2.02 0.00 0.00 58.31 55.37 2k1n n LYS 46 Cb 0.49 0.24 0.00 0.00 -0.02 0.00 0.00 35.03 35.74 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 -0.30 0.00 -4.17 1.97 2.85 -1.26 0.27 118.16 117.53 2k1n n LYS 47 Ca -0.05 0.00 -0.19 0.00 -1.05 0.00 0.00 58.31 57.02 2k1n n LYS 47 Cb 0.15 -0.32 -0.07 0.00 -0.65 0.00 0.00 35.03 34.14 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 -2.20 -0.79 -3.85 5.58 4.11 -1.26 -4.66 117.16 114.09 2k1n n TYR 48 Ca 0.00 -2.72 -0.29 0.00 -0.00 0.00 0.00 57.90 54.89 2k1n n TYR 48 Cb 0.10 0.29 -0.16 0.00 -0.00 0.00 0.00 39.34 39.57 2k1n n TYR 48 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.86 177.01 2k1n s LYS 49 N -3.30 1.18 0.14 -3.48 1.02 -1.26 -5.03 119.74 109.00 2k1n s LYS 49 Ca 0.39 -0.69 -0.20 0.00 0.02 0.00 0.00 55.97 55.49 2k1n s LYS 49 Cb 0.02 -2.31 0.01 0.00 -0.52 0.00 0.00 37.83 35.02 2k1n s LYS 49 CO 0.27 -0.60 1.68 -1.35 -0.92 0.00 0.00 175.35 174.44 2k1n h PRO 50 N 8.10 -0.06 0.00 -1.68 0.11 -1.92 -0.55 132.00 135.99 2k1n h PRO 50 Ca -0.18 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.89 2k1n h PRO 50 Cb 1.10 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 2k1n h PRO 50 CO 0.38 -0.04 -0.21 -0.97 -0.21 0.00 0.00 178.00 176.95 2k1n h ASN 51 N -0.06 0.00 0.00 -2.05 -0.73 -1.98 -2.32 115.58 108.44 2k1n h ASN 51 Ca 0.12 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.29 2k1n h ASN 51 Cb 0.24 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.83 2k1n h ASN 51 CO -0.28 0.21 -0.00 -0.03 -0.37 0.00 0.00 177.43 176.96 2k1n h MET 52 N 0.00 -0.00 0.00 6.67 4.05 -1.80 -3.45 114.93 120.40 2k1n h MET 52 Ca -0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2k1n h MET 52 Cb 0.50 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.30 2k1n h MET 52 CO 0.03 0.80 0.00 -2.37 0.23 0.00 0.00 176.91 175.59 2k1n n THR 53 N -4.71 0.00 0.00 -0.77 5.66 -0.28 -5.08 114.28 109.10 2k1n n THR 53 Ca -0.09 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.91 2k1n n THR 53 Cb 0.39 -0.05 0.00 0.00 -1.55 0.00 0.00 70.33 69.12 2k1n n THR 53 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02