#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4k n ALA 2 N 0.00 2.19 -2.90 -5.12 0.00 -1.26 -5.08 120.51 108.33 2k4k n ALA 2 Ca 0.00 -1.60 -0.11 0.00 0.00 0.00 0.00 53.44 51.72 2k4k n ALA 2 Cb 0.00 -0.53 -0.06 0.00 0.00 0.00 0.00 19.45 18.86 2k4k n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k4k s ALA 3 N -0.49 0.35 -0.65 0.00 0.00 -1.26 -5.05 121.76 114.67 2k4k s ALA 3 Ca 0.13 -1.24 0.16 0.00 0.00 0.00 0.00 51.96 51.01 2k4k s ALA 3 Cb 0.14 1.16 0.73 0.00 0.00 0.00 0.00 23.12 25.14 2k4k s ALA 3 CO -0.04 -0.78 1.48 1.63 0.00 0.00 0.00 175.76 178.05 2k4k n LYS 4 N -0.42 0.09 -4.10 0.00 5.02 -1.26 -4.73 118.16 112.77 2k4k n LYS 4 Ca -0.00 0.45 -0.08 0.00 -2.02 0.00 0.00 58.31 56.66 2k4k n LYS 4 Cb 0.63 -1.72 -0.10 0.00 -0.02 0.00 0.00 35.03 33.81 2k4k n LYS 4 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2k4k s PHE 5 N -3.23 0.60 -0.01 2.13 0.08 -1.26 -5.15 117.98 111.13 2k4k s PHE 5 Ca 0.02 -0.97 -0.13 0.00 0.12 0.00 0.00 56.93 55.98 2k4k s PHE 5 Cb 0.07 -0.41 0.02 0.00 -0.57 0.00 0.00 43.02 42.13 2k4k s PHE 5 CO 0.23 -0.30 0.27 -2.00 -0.10 0.00 0.00 175.22 173.32 2k4k s GLU 6 N -3.62 0.62 0.10 0.44 2.12 -1.26 -4.78 118.70 112.32 2k4k s GLU 6 Ca 0.06 -0.23 -0.36 0.00 0.36 0.00 0.00 54.97 54.80 2k4k s GLU 6 Cb 0.05 0.27 -0.17 0.00 0.26 0.00 0.00 34.13 34.54 2k4k s GLU 6 CO -0.08 -0.16 1.14 1.33 -0.54 0.00 0.00 175.26 176.95 2k4k n VAL 7 N 1.34 0.47 0.00 3.70 0.24 -1.26 -1.84 118.33 120.98 2k4k n VAL 7 Ca -0.22 -0.12 0.00 0.00 -2.04 0.00 0.00 64.34 61.96 2k4k n VAL 7 Cb 0.56 -0.54 0.00 0.00 -1.47 0.00 0.00 33.84 32.39 2k4k n VAL 7 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2k4k n GLY 8 N 2.03 2.11 3.66 7.63 0.00 -0.29 -5.01 105.19 115.32 2k4k n GLY 8 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 2k4k n GLY 8 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k4k s SER 9 N -2.33 2.80 -0.03 1.61 0.01 -0.77 -4.76 113.70 110.23 2k4k s SER 9 Ca 0.00 1.72 0.00 0.00 1.31 0.00 0.00 55.95 58.99 2k4k s SER 9 Cb 0.00 -2.35 0.03 0.00 0.21 0.00 0.00 66.02 63.91 2k4k s SER 9 CO 0.00 -3.10 0.00 -0.69 0.41 0.00 0.00 173.24 169.87 2k4k s VAL 10 N -2.74 0.20 0.28 3.43 1.01 -1.26 -0.62 120.40 120.70 2k4k s VAL 10 Ca 0.65 0.10 0.01 0.00 0.00 0.00 0.00 61.98 62.74 2k4k s VAL 10 Cb -0.21 -0.30 -0.02 0.00 0.00 0.00 0.00 36.38 35.84 2k4k s VAL 10 CO 0.59 0.16 0.29 -0.31 0.00 0.00 0.00 175.10 175.82 2k4k s TYR 11 N 1.15 1.29 0.02 5.22 2.02 -0.66 -5.00 117.35 121.40 2k4k s TYR 11 Ca -0.08 -1.41 0.08 0.00 -0.37 0.00 0.00 57.07 55.29 2k4k s TYR 11 Cb -0.13 -0.46 -0.03 0.00 -0.40 0.00 0.00 41.96 40.94 2k4k s TYR 11 CO -0.02 -0.86 -0.24 0.99 -1.57 0.00 0.00 175.55 173.85 2k4k s THR 12 N -3.66 2.27 0.20 -0.71 2.01 -1.26 -0.67 115.64 113.83 2k4k s THR 12 Ca 0.36 -1.26 -0.04 0.00 0.31 0.00 0.00 61.69 61.07 2k4k s THR 12 Cb 0.03 -1.87 0.01 0.00 0.01 0.00 0.00 72.50 70.68 2k4k s THR 12 CO 0.19 0.42 0.33 0.61 -0.69 0.00 0.00 174.62 175.49 2k4k n GLY 13 N 1.92 2.17 3.16 4.40 0.00 -0.05 -4.79 105.19 112.00 2k4k n GLY 13 Ca -0.17 -1.39 -0.27 0.00 0.00 0.00 0.00 46.02 44.20 2k4k n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k4k s LYS 14 N -2.31 1.89 -0.01 1.61 1.02 0.05 -0.88 119.74 121.11 2k4k s LYS 14 Ca 0.14 -0.66 -0.30 0.00 0.02 0.00 0.00 55.97 55.16 2k4k s LYS 14 Cb -0.01 -1.65 -0.04 0.00 -0.52 0.00 0.00 37.83 35.61 2k4k s LYS 14 CO 0.10 0.28 1.27 0.08 -0.92 0.00 0.00 175.35 176.16 2k4k s VAL 15 N -0.04 4.01 -0.11 3.17 1.01 0.12 -0.98 120.40 127.59 2k4k s VAL 15 Ca -0.03 1.38 0.02 0.00 0.00 0.00 0.00 61.98 63.35 2k4k s VAL 15 Cb -0.12 -3.89 -0.01 0.00 0.00 0.00 0.00 36.38 32.37 2k4k s VAL 15 CO 0.02 0.02 0.17 0.35 0.00 0.00 0.00 175.10 175.66 2k4k n THR 16 N 4.50 0.00 -3.64 3.92 -2.24 0.17 -1.13 114.28 115.87 2k4k n THR 16 Ca 0.11 -0.47 -0.01 0.00 -2.27 0.00 0.00 64.05 61.41 2k4k n THR 16 Cb 0.45 1.01 -0.01 0.00 -2.10 0.00 0.00 70.33 69.68 2k4k n THR 16 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2k4k s GLY 17 N -0.93 -0.36 0.03 3.38 0.00 -1.19 -4.80 107.32 103.44 2k4k s GLY 17 Ca 0.01 0.75 0.02 0.00 0.00 0.00 0.00 44.72 45.49 2k4k s GLY 17 CO 0.06 0.17 -0.06 1.08 0.00 0.00 0.00 173.10 174.35 2k4k s LEU 18 N -2.82 2.21 0.05 0.66 1.43 -1.26 -1.15 118.68 117.79 2k4k s LEU 18 Ca 0.13 -0.45 -0.12 0.00 -1.03 0.00 0.00 54.13 52.65 2k4k s LEU 18 Cb 0.03 -0.11 0.01 0.00 0.03 0.00 0.00 46.19 46.15 2k4k s LEU 18 CO -0.03 -0.18 0.27 -1.10 0.23 0.00 0.00 176.35 175.54 2k4k s GLN 19 N -1.29 0.80 0.00 1.70 -1.52 0.49 -2.39 119.66 117.45 2k4k s GLN 19 Ca -0.09 -0.59 0.06 0.00 -1.95 0.00 0.00 55.36 52.80 2k4k s GLN 19 Cb -0.08 0.34 0.38 0.00 -0.22 0.00 0.00 33.01 33.42 2k4k s GLN 19 CO 0.00 -0.25 0.79 0.00 -0.25 0.00 0.00 175.29 175.58 2k4k n ALA 20 N 0.50 1.78 -0.27 6.09 0.00 -1.26 -1.74 120.51 125.62 2k4k n ALA 20 Ca -0.18 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.22 2k4k n ALA 20 Cb 0.60 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.94 2k4k n ALA 20 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 2k4k n TYR 21 N -0.90 0.00 0.00 0.00 0.18 -1.26 -3.79 117.16 111.39 2k4k n TYR 21 Ca 0.05 -0.01 0.00 0.00 1.88 0.00 0.00 57.90 59.82 2k4k n TYR 21 Cb 0.02 -0.00 0.00 0.00 -0.38 0.00 0.00 39.34 38.98 2k4k n TYR 21 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 2k4k n GLY 22 N -0.01 -0.49 3.05 -7.48 0.00 -0.71 -1.11 105.19 98.44 2k4k n GLY 22 Ca 0.00 -1.19 -0.31 0.00 0.00 0.00 0.00 46.02 44.52 2k4k n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k4k s ALA 23 N -2.00 2.09 0.29 4.61 0.00 0.23 -0.38 121.76 126.61 2k4k s ALA 23 Ca 0.00 -1.13 -0.29 0.00 0.00 0.00 0.00 51.96 50.54 2k4k s ALA 23 Cb 0.00 -1.18 -0.10 0.00 0.00 0.00 0.00 23.12 21.85 2k4k s ALA 23 CO 0.00 -0.51 1.19 -0.06 0.00 0.00 0.00 175.76 176.38 2k4k s PHE 24 N 1.38 3.35 -0.17 0.00 0.08 -0.30 -0.92 117.98 121.40 2k4k s PHE 24 Ca 0.03 1.56 -0.03 0.00 0.12 0.00 0.00 56.93 58.61 2k4k s PHE 24 Cb -0.14 -3.46 0.06 0.00 -0.57 0.00 0.00 43.02 38.91 2k4k s PHE 24 CO -0.11 -1.13 0.05 0.08 -0.10 0.00 0.00 175.22 174.00 2k4k s VAL 25 N -1.08 0.34 0.17 -0.44 1.01 -0.24 -0.66 120.40 119.50 2k4k s VAL 25 Ca 0.47 -0.35 -0.31 0.00 0.00 0.00 0.00 61.98 61.79 2k4k s VAL 25 Cb -0.35 -0.83 -0.09 0.00 0.00 0.00 0.00 36.38 35.10 2k4k s VAL 25 CO 0.46 -0.16 1.43 0.00 0.00 0.00 0.00 175.10 176.83 2k4k s ALA 26 N 1.95 3.64 -0.11 5.51 0.00 -0.15 -1.25 121.76 131.34 2k4k s ALA 26 Ca 0.01 1.23 0.13 0.00 0.00 0.00 0.00 51.96 53.32 2k4k s ALA 26 Cb -0.16 -3.55 -0.18 0.00 0.00 0.00 0.00 23.12 19.23 2k4k s ALA 26 CO -0.08 -0.67 0.10 1.28 0.00 0.00 0.00 175.76 176.39 2k4k n LEU 27 N 3.42 0.00 -0.59 0.00 4.77 0.44 -0.77 117.00 124.27 2k4k n LEU 27 Ca 0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 2k4k n LEU 27 Cb 0.41 0.28 -0.00 0.00 -2.33 0.00 0.00 43.42 41.77 2k4k n LEU 27 CO 0.60 0.28 0.24 -0.67 -1.33 0.00 0.00 177.39 176.50 2k4k n ASP 28 N -2.42 0.05 0.00 -1.43 2.03 -1.10 -4.67 116.55 109.01 2k4k n ASP 28 Ca -0.19 -1.78 0.00 0.00 0.52 0.00 0.00 54.79 53.34 2k4k n ASP 28 Cb 0.84 -0.15 0.00 0.00 -0.72 0.00 0.00 41.12 41.09 2k4k n ASP 28 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2k4k n GLU 29 N 0.04 0.00 -0.22 -0.67 1.02 -1.26 -4.22 120.64 115.33 2k4k n GLU 29 Ca -0.00 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.15 2k4k n GLU 29 Cb 0.69 -3.60 0.02 0.00 -0.02 0.00 0.00 31.44 28.53 2k4k n GLU 29 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2k4k n GLU 30 N -1.87 0.52 -3.79 3.49 1.02 -1.26 -5.02 120.64 113.72 2k4k n GLU 30 Ca 0.00 -1.11 -0.13 0.00 -0.02 0.00 0.00 57.16 55.90 2k4k n GLU 30 Cb 0.00 -0.70 -0.10 0.00 -0.02 0.00 0.00 31.44 30.63 2k4k n GLU 30 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2k4k s THR 31 N -0.51 0.05 0.04 2.62 2.01 -1.26 -5.09 115.64 113.50 2k4k s THR 31 Ca 0.04 -0.41 -0.15 0.00 0.31 0.00 0.00 61.69 61.49 2k4k s THR 31 Cb 0.04 -0.51 0.02 0.00 0.01 0.00 0.00 72.50 72.06 2k4k s THR 31 CO 0.00 -0.22 0.33 -1.58 -0.69 0.00 0.00 174.62 172.46 2k4k s GLN 32 N -0.96 0.84 0.20 4.92 0.74 -1.26 -0.42 119.66 123.71 2k4k s GLN 32 Ca -0.10 -0.48 0.04 0.00 0.05 0.00 0.00 55.36 54.87 2k4k s GLN 32 Cb -0.05 0.37 -0.02 0.00 1.10 0.00 0.00 33.01 34.41 2k4k s GLN 32 CO 0.03 -0.27 0.16 0.41 -0.55 0.00 0.00 175.29 175.06 2k4k n GLY 33 N 0.55 3.40 2.73 2.59 0.00 -0.38 -4.07 105.19 110.01 2k4k n GLY 33 Ca -0.19 -1.82 -0.29 0.00 0.00 0.00 0.00 46.02 43.73 2k4k n GLY 33 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2k4k s LEU 34 N 0.00 1.54 -0.14 0.99 2.96 -0.27 -1.08 118.68 122.68 2k4k s LEU 34 Ca 0.22 -1.13 -0.29 0.00 -0.22 0.00 0.00 54.13 52.71 2k4k s LEU 34 Cb 0.01 -0.69 -0.05 0.00 0.50 0.00 0.00 46.19 45.95 2k4k s LEU 34 CO 0.16 -0.35 1.95 -0.69 -1.32 0.00 0.00 176.35 176.10 2k4k s VAL 35 N 1.78 3.23 0.38 1.68 1.01 -0.10 -1.63 120.40 126.76 2k4k s VAL 35 Ca 0.03 0.26 -0.25 0.00 0.00 0.00 0.00 61.98 62.01 2k4k s VAL 35 Cb -0.17 -3.24 -0.09 0.00 0.00 0.00 0.00 36.38 32.88 2k4k s VAL 35 CO -0.15 -0.10 1.14 -1.00 0.00 0.00 0.00 175.10 174.98 2k4k s HIS 36 N 6.16 3.18 0.25 5.22 0.09 -1.23 -0.60 115.29 128.35 2k4k s HIS 36 Ca 0.87 1.59 -0.03 0.00 -0.00 0.00 0.00 55.06 57.49 2k4k s HIS 36 Cb -0.33 -3.32 0.43 0.00 -0.00 0.00 0.00 32.58 29.36 2k4k s HIS 36 CO 0.35 -1.08 1.79 0.97 -0.00 0.00 0.00 174.74 176.78 2k4k h ILE 37 N 2.40 0.85 0.00 0.60 2.10 -1.46 0.58 117.51 122.58 2k4k h ILE 37 Ca -0.48 -0.25 -0.01 0.00 1.08 0.00 0.00 64.86 65.20 2k4k h ILE 37 Cb 1.23 0.06 -0.00 0.00 -1.09 0.00 0.00 36.82 37.02 2k4k h ILE 37 CO 0.63 0.13 -0.04 0.28 -1.08 0.00 0.00 178.15 178.07 2k4k h SER 38 N 0.72 0.00 -0.05 2.19 0.02 -1.91 -1.61 113.55 112.91 2k4k h SER 38 Ca 0.41 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.36 2k4k h SER 38 Cb 0.45 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.99 2k4k h SER 38 CO -0.28 0.04 0.00 -0.62 -1.14 0.00 0.00 176.83 174.83 2k4k n GLU 39 N -4.10 1.69 0.10 3.45 -0.58 0.18 -3.88 120.64 117.51 2k4k n GLU 39 Ca -0.03 -1.01 -0.04 0.00 -0.42 0.00 0.00 57.16 55.67 2k4k n GLU 39 Cb 0.12 -1.46 0.14 0.00 -0.57 0.00 0.00 31.44 29.67 2k4k n GLU 39 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2k4k h VAL 40 N 2.36 1.40 -2.70 2.62 2.07 -1.13 0.14 116.25 121.01 2k4k h VAL 40 Ca 0.00 -2.02 -0.10 0.00 0.82 0.00 0.00 66.70 65.40 2k4k h VAL 40 Cb 0.50 2.04 -0.20 0.00 -1.52 0.00 0.00 31.29 32.12 2k4k h VAL 40 CO 0.00 0.59 -0.14 -0.89 0.02 0.00 0.00 177.57 177.15 2k4k s THR 41 N -3.72 0.03 0.00 2.57 2.01 -1.25 -3.30 115.64 111.98 2k4k s THR 41 Ca -0.03 -0.29 0.00 0.00 0.31 0.00 0.00 61.69 61.68 2k4k s THR 41 Cb 0.12 -0.72 0.00 0.00 0.01 0.00 0.00 72.50 71.91 2k4k s THR 41 CO 0.79 -0.16 1.40 0.00 -0.69 0.00 0.00 174.62 175.96 2k4k n HIS 42 N 1.36 0.00 -2.73 4.92 1.44 -1.26 -4.79 115.22 114.16 2k4k n HIS 42 Ca -0.20 -0.70 0.00 0.00 -2.01 0.00 0.00 57.72 54.81 2k4k n HIS 42 Cb 0.56 -0.39 0.00 0.00 0.12 0.00 0.00 29.99 30.28 2k4k n HIS 42 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2k4k n GLY 43 N 1.31 -0.58 3.52 -1.39 0.00 -1.26 -5.10 105.19 101.69 2k4k n GLY 43 Ca 0.00 -0.63 -0.37 0.00 0.00 0.00 0.00 46.02 45.02 2k4k n GLY 43 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2k4k n PHE 44 N 1.40 -0.17 -2.78 1.61 3.72 -1.26 -4.99 117.46 115.00 2k4k n PHE 44 Ca 0.00 0.42 -0.10 0.00 -0.05 0.00 0.00 57.45 57.72 2k4k n PHE 44 Cb 0.00 -2.01 0.07 0.00 -0.94 0.00 0.00 39.48 36.60 2k4k n PHE 44 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 176.76 178.26 2k4k n VAL 45 N -1.90 0.18 -0.28 -4.37 3.14 -1.26 -4.87 118.33 108.97 2k4k n VAL 45 Ca 0.12 -2.33 0.21 0.00 -2.96 0.00 0.00 64.34 59.38 2k4k n VAL 45 Cb 0.48 0.86 0.51 0.00 -1.06 0.00 0.00 33.84 34.64 2k4k n VAL 45 CO 0.00 0.00 0.00 0.07 -6.46 0.00 0.00 176.83 170.44 2k4k h LYS 46 N 2.65 0.38 -2.96 1.45 2.10 -1.95 -3.38 116.57 114.86 2k4k h LYS 46 Ca -0.13 -0.02 -0.18 0.00 -2.00 0.00 0.00 60.65 58.32 2k4k h LYS 46 Cb 1.17 -0.09 -0.29 0.00 -0.90 0.00 0.00 32.23 32.12 2k4k h LYS 46 CO 0.20 0.25 -0.44 0.34 -2.00 0.00 0.00 179.45 177.80 2k4k s ASP 47 N -5.46 -0.31 0.42 7.07 -1.08 -1.26 -4.68 116.67 111.36 2k4k s ASP 47 Ca -0.08 0.60 0.10 0.00 -0.52 0.00 0.00 52.55 52.64 2k4k s ASP 47 Cb 0.24 0.50 0.89 0.00 -1.46 0.00 0.00 42.92 43.08 2k4k s ASP 47 CO 0.79 -0.16 2.00 -0.29 0.52 0.00 0.00 175.17 178.03 2k4k h ILE 48 N 5.65 1.12 0.00 4.11 2.10 -1.88 -2.26 117.51 126.35 2k4k h ILE 48 Ca -0.38 -0.45 0.00 0.00 1.08 0.00 0.00 64.86 65.11 2k4k h ILE 48 Cb 1.17 0.93 0.00 0.00 -1.09 0.00 0.00 36.82 37.83 2k4k h ILE 48 CO 0.35 0.16 0.00 -0.46 -1.08 0.00 0.00 178.15 177.12 2k4k n ASN 49 N -4.39 0.49 -0.50 2.19 0.23 -1.26 -0.62 115.26 111.40 2k4k n ASN 49 Ca 0.00 0.65 0.12 0.00 -0.53 0.00 0.00 54.58 54.83 2k4k n ASN 49 Cb 0.17 -0.74 0.47 0.00 -2.08 0.00 0.00 39.78 37.59 2k4k n ASN 49 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2k4k n GLU 50 N -2.07 1.67 0.00 -3.83 1.02 -0.85 -4.38 120.64 112.21 2k4k n GLU 50 Ca 0.01 -0.99 0.00 0.00 -0.02 0.00 0.00 57.16 56.16 2k4k n GLU 50 Cb 0.16 -1.44 0.00 0.00 -0.02 0.00 0.00 31.44 30.14 2k4k n GLU 50 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2k4k n HIS 51 N 0.21 0.00 -4.14 -0.32 8.25 -0.30 -5.04 115.22 113.88 2k4k n HIS 51 Ca 0.18 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.47 2k4k n HIS 51 Cb 0.34 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.40 2k4k n HIS 51 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 2k4k n LEU 52 N -0.34 0.00 -3.75 2.41 7.94 0.21 -4.97 117.00 118.50 2k4k n LEU 52 Ca 0.00 -3.05 -0.12 0.00 -1.11 0.00 0.00 56.01 51.73 2k4k n LEU 52 Cb 0.01 2.40 -0.12 0.00 0.53 0.00 0.00 43.42 46.23 2k4k n LEU 52 CO 0.00 -0.64 -0.10 -0.44 -1.11 0.00 0.00 177.39 175.10 2k4k s SER 53 N -3.29 -0.28 0.65 1.96 0.01 -1.26 -4.18 113.70 107.31 2k4k s SER 53 Ca 0.33 0.54 -0.17 0.00 1.31 0.00 0.00 55.95 57.96 2k4k s SER 53 Cb -0.00 0.46 -0.01 0.00 0.21 0.00 0.00 66.02 66.69 2k4k s SER 53 CO 0.24 -0.14 1.17 0.54 0.41 0.00 0.00 173.24 175.45 2k4k s VAL 54 N 0.88 2.80 -1.30 3.43 0.11 -1.26 -3.84 120.40 121.22 2k4k s VAL 54 Ca -0.06 0.43 -0.01 0.00 -2.93 0.00 0.00 61.98 59.41 2k4k s VAL 54 Cb -0.07 -3.03 0.00 0.00 -1.53 0.00 0.00 36.38 31.75 2k4k s VAL 54 CO -0.06 -0.18 0.15 0.61 -3.33 0.00 0.00 175.10 172.29 2k4k n GLY 55 N 0.10 -0.27 3.38 6.54 0.00 -0.28 -4.98 105.19 109.68 2k4k n GLY 55 Ca 0.12 -0.18 -0.20 0.00 0.00 0.00 0.00 46.02 45.77 2k4k n GLY 55 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k4k s ASP 56 N -2.44 2.80 -0.13 1.61 2.15 -1.25 -4.93 116.67 114.47 2k4k s ASP 56 Ca 0.07 -1.03 -0.11 0.00 0.43 0.00 0.00 52.55 51.92 2k4k s ASP 56 Cb -0.03 -0.17 -0.05 0.00 -0.30 0.00 0.00 42.92 42.37 2k4k s ASP 56 CO 0.09 -0.13 0.22 -0.70 -0.17 0.00 0.00 175.17 174.48 2k4k s GLU 57 N -3.62 3.89 -0.00 4.34 2.12 -1.26 -0.71 118.70 123.46 2k4k s GLU 57 Ca 0.24 -0.01 -0.04 0.00 0.36 0.00 0.00 54.97 55.53 2k4k s GLU 57 Cb -0.01 -3.31 -0.00 0.00 0.26 0.00 0.00 34.13 31.07 2k4k s GLU 57 CO 0.09 0.52 0.07 0.14 -0.54 0.00 0.00 175.26 175.54 2k4k s VAL 58 N -0.35 0.07 -0.16 3.70 -7.23 -0.06 -4.99 120.40 111.38 2k4k s VAL 58 Ca 0.15 -0.56 -0.11 0.00 -1.81 0.00 0.00 61.98 59.65 2k4k s VAL 58 Cb -0.13 -0.29 -0.05 0.00 0.56 0.00 0.00 36.38 36.48 2k4k s VAL 58 CO 0.04 -0.31 0.19 0.00 -0.31 0.00 0.00 175.10 174.72 2k4k s GLN 59 N -0.98 4.05 0.06 4.82 0.00 -1.26 -0.87 119.66 125.47 2k4k s GLN 59 Ca -0.11 -0.08 0.06 0.00 -0.00 0.00 0.00 55.36 55.23 2k4k s GLN 59 Cb -0.06 -3.37 -0.03 0.00 0.00 0.00 0.00 33.01 29.55 2k4k s GLN 59 CO 0.00 0.40 -0.16 0.14 0.00 0.00 0.00 175.29 175.67 2k4k s VAL 60 N 0.04 1.25 -0.20 3.63 -7.23 0.16 -4.78 120.40 113.27 2k4k s VAL 60 Ca 0.13 -1.18 -0.11 0.00 -1.81 0.00 0.00 61.98 59.01 2k4k s VAL 60 Cb -0.12 -1.15 -0.05 0.00 0.56 0.00 0.00 36.38 35.63 2k4k s VAL 60 CO 0.02 -0.05 0.16 -0.75 -0.31 0.00 0.00 175.10 174.17 2k4k s LYS 61 N -1.41 4.18 0.11 4.82 2.20 -0.77 -1.66 119.74 127.22 2k4k s LYS 61 Ca 0.02 -0.18 -0.31 0.00 -0.36 0.00 0.00 55.97 55.14 2k4k s LYS 61 Cb -0.09 -3.44 -0.09 0.00 -1.51 0.00 0.00 37.83 32.70 2k4k s LYS 61 CO 0.02 0.25 1.65 0.08 -0.36 0.00 0.00 175.35 176.99 2k4k s VAL 62 N 0.49 2.80 -0.08 4.02 1.01 0.21 -1.24 120.40 127.61 2k4k s VAL 62 Ca 0.09 0.40 0.06 0.00 0.00 0.00 0.00 61.98 62.53 2k4k s VAL 62 Cb -0.12 -3.26 -0.09 0.00 0.00 0.00 0.00 36.38 32.91 2k4k s VAL 62 CO -0.00 0.01 0.00 -0.11 0.00 0.00 0.00 175.10 175.00 2k4k n LEU 63 N 5.00 0.61 -3.69 3.92 7.94 0.05 -1.13 117.00 129.69 2k4k n LEU 63 Ca 0.15 -0.01 -0.11 0.00 -1.11 0.00 0.00 56.01 54.93 2k4k n LEU 63 Cb 0.39 0.08 -0.06 0.00 0.53 0.00 0.00 43.42 44.37 2k4k n LEU 63 CO 0.63 0.29 0.10 0.00 -1.11 0.00 0.00 177.39 177.30 2k4k s ALA 64 N -2.19 -0.82 -0.03 1.96 0.00 -0.95 -4.85 121.76 114.89 2k4k s ALA 64 Ca -0.06 -0.01 0.01 0.00 0.00 0.00 0.00 51.96 51.90 2k4k s ALA 64 Cb 0.03 0.51 0.02 0.00 0.00 0.00 0.00 23.12 23.67 2k4k s ALA 64 CO 0.30 -0.54 -0.03 0.08 0.00 0.00 0.00 175.76 175.58 2k4k s VAL 65 N -3.24 0.33 -0.41 0.00 1.01 -1.26 -0.79 120.40 116.04 2k4k s VAL 65 Ca -0.00 -0.05 0.04 0.00 0.00 0.00 0.00 61.98 61.96 2k4k s VAL 65 Cb 0.01 -0.36 0.17 0.00 0.00 0.00 0.00 36.38 36.19 2k4k s VAL 65 CO -0.08 0.15 0.42 -0.62 0.00 0.00 0.00 175.10 174.97 2k4k s ASP 66 N 0.66 0.91 0.43 3.32 -1.08 -0.23 -5.00 116.67 115.68 2k4k s ASP 66 Ca -0.07 -2.22 0.30 0.00 -0.52 0.00 0.00 52.55 50.03 2k4k s ASP 66 Cb -0.11 0.36 1.28 0.00 -1.46 0.00 0.00 42.92 42.99 2k4k s ASP 66 CO -0.01 -0.19 1.89 -0.08 0.52 0.00 0.00 175.17 177.30 2k4k h GLU 67 N 6.13 0.00 -0.09 4.34 4.81 -1.93 0.16 114.58 127.99 2k4k h GLU 67 Ca 0.14 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.31 2k4k h GLU 67 Cb 1.00 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.38 2k4k h GLU 67 CO 0.23 0.00 -0.16 0.93 -0.73 0.00 0.00 179.01 179.28 2k4k h GLU 68 N 0.00 0.27 0.00 1.92 4.39 -1.95 -2.59 114.58 116.62 2k4k h GLU 68 Ca 0.00 -0.17 -0.04 0.00 0.34 0.00 0.00 59.36 59.49 2k4k h GLU 68 Cb 0.40 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 2k4k h GLU 68 CO 0.00 0.75 -0.18 0.87 -1.16 0.00 0.00 179.01 179.29 2k4k h LYS 69 N -0.18 0.00 -0.86 2.33 1.79 -1.97 -3.47 116.57 114.21 2k4k h LYS 69 Ca 0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 2k4k h LYS 69 Cb 0.73 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.38 2k4k h LYS 69 CO 0.04 0.18 0.00 0.41 -1.08 0.00 0.00 179.45 179.00 2k4k n GLY 70 N -0.16 0.93 3.33 3.86 0.00 0.35 -5.08 105.19 108.43 2k4k n GLY 70 Ca -0.01 -0.54 -0.11 0.00 0.00 0.00 0.00 46.02 45.37 2k4k n GLY 70 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k4k s LYS 71 N -3.98 1.28 -0.01 1.61 -2.85 -0.08 -4.96 119.74 110.74 2k4k s LYS 71 Ca 0.00 -1.44 0.00 0.00 -1.00 0.00 0.00 55.97 53.53 2k4k s LYS 71 Cb 0.00 0.34 0.01 0.00 -2.06 0.00 0.00 37.83 36.13 2k4k s LYS 71 CO 0.00 -0.46 0.01 0.42 0.10 0.00 0.00 175.35 175.42 2k4k s ILE 72 N -4.08 0.01 0.10 3.79 1.01 -1.26 -1.07 121.20 119.69 2k4k s ILE 72 Ca 0.30 0.08 -0.01 0.00 0.00 0.00 0.00 60.65 61.02 2k4k s ILE 72 Cb 0.04 -0.07 -0.04 0.00 0.01 0.00 0.00 42.46 42.40 2k4k s ILE 72 CO 0.09 0.05 0.27 -0.44 0.00 0.00 0.00 174.94 174.91 2k4k s SER 73 N 0.50 6.39 0.26 3.58 0.01 0.03 -1.11 113.70 123.36 2k4k s SER 73 Ca -0.04 0.35 0.01 0.00 1.31 0.00 0.00 55.95 57.58 2k4k s SER 73 Cb -0.06 -1.99 -0.05 0.00 0.21 0.00 0.00 66.02 64.13 2k4k s SER 73 CO -0.01 0.12 0.12 -0.76 0.41 0.00 0.00 173.24 173.11 2k4k s LEU 74 N -2.65 1.56 0.01 2.44 1.43 -0.64 -0.77 118.68 120.06 2k4k s LEU 74 Ca 0.37 -1.43 -0.09 0.00 -1.03 0.00 0.00 54.13 51.95 2k4k s LEU 74 Cb -0.13 0.12 0.00 0.00 0.03 0.00 0.00 46.19 46.22 2k4k s LEU 74 CO 0.27 -0.78 0.18 -0.94 0.23 0.00 0.00 176.35 175.30 2k4k s SER 75 N -3.30 0.00 0.00 2.29 1.04 -0.37 -3.57 113.70 109.78 2k4k s SER 75 Ca 0.37 -0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.59 2k4k s SER 75 Cb 0.07 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.43 2k4k s SER 75 CO 0.14 -0.43 0.00 -0.38 0.98 0.00 0.00 173.24 173.55 2k4k n ILE 76 N 1.21 0.00 0.20 -1.02 2.08 0.10 -1.84 119.36 120.08 2k4k n ILE 76 Ca -0.22 0.00 0.18 0.00 0.56 0.00 0.00 62.75 63.28 2k4k n ILE 76 Cb 0.56 -0.44 0.83 0.00 -0.75 0.00 0.00 39.64 39.84 2k4k n ILE 76 CO 0.00 0.00 0.00 0.08 0.56 0.00 0.00 176.55 177.19 2k4k h ARG 77 N 0.00 0.00 0.00 0.38 0.11 -0.82 0.10 114.38 114.15 2k4k h ARG 77 Ca 0.00 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.05 2k4k h ARG 77 Cb 0.59 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.67 2k4k h ARG 77 CO 0.00 0.00 -0.13 0.00 0.10 0.00 0.00 179.97 179.94 2k4k h ALA 78 N 1.65 0.95 0.00 0.08 0.00 -1.82 -3.39 119.26 116.73 2k4k h ALA 78 Ca 0.10 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2k4k h ALA 78 Cb 0.64 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2k4k h ALA 78 CO -0.00 0.16 -0.97 0.25 0.00 0.00 0.00 179.25 178.69 2k4k n THR 79 N -3.17 0.00 -4.24 0.00 -2.24 0.08 -4.97 114.28 99.74 2k4k n THR 79 Ca 0.02 -0.02 -0.15 0.00 -2.27 0.00 0.00 64.05 61.64 2k4k n THR 79 Cb 0.50 0.51 -0.09 0.00 -2.10 0.00 0.00 70.33 69.15 2k4k n THR 79 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2k4k s GLN 80 N -1.97 1.39 0.15 -0.78 -0.21 0.14 -5.06 119.66 113.32 2k4k s GLN 80 Ca 0.00 -1.76 -0.04 0.00 0.02 0.00 0.00 55.36 53.58 2k4k s GLN 80 Cb 0.00 0.23 -0.03 0.00 1.00 0.00 0.00 33.01 34.21 2k4k s GLN 80 CO 0.00 -0.46 0.14 0.00 -2.12 0.00 0.00 175.29 172.85 2k4k s ALA 81 N -3.91 0.63 0.01 6.09 0.00 -1.26 -4.48 121.76 118.84 2k4k s ALA 81 Ca 0.39 -1.32 -0.08 0.00 0.00 0.00 0.00 51.96 50.94 2k4k s ALA 81 Cb 0.06 0.94 0.00 0.00 0.00 0.00 0.00 23.12 24.12 2k4k s ALA 81 CO 0.17 -0.56 0.17 0.00 0.00 0.00 0.00 175.76 175.53 2k4k s ALA 82 N -4.04 -0.36 0.95 0.00 0.00 -1.26 -5.09 121.76 111.96 2k4k s ALA 82 Ca 0.24 -0.16 -0.12 0.00 0.00 0.00 0.00 51.96 51.92 2k4k s ALA 82 Cb 0.06 0.16 0.16 0.00 0.00 0.00 0.00 23.12 23.50 2k4k s ALA 82 CO 0.03 -0.26 1.10 -1.25 0.00 0.00 0.00 175.76 175.39 2k4k s PRO 83 N -1.76 0.81 0.60 0.00 0.04 -1.26 -5.02 135.00 128.42 2k4k s PRO 83 Ca -0.12 0.49 -0.20 0.00 0.04 0.00 0.00 61.00 61.22 2k4k s PRO 83 Cb -0.05 -1.78 -0.03 0.00 0.04 0.00 0.00 34.50 32.67 2k4k s PRO 83 CO 0.00 -2.47 1.25 -1.91 0.04 0.00 0.00 177.00 173.92 2k4k n GLU 84 N -3.99 1.29 -4.22 4.56 2.13 -1.26 -5.05 120.64 114.10 2k4k n GLU 84 Ca 0.06 0.49 -0.27 0.00 0.66 0.00 0.00 57.16 58.10 2k4k n GLU 84 Cb 0.57 -2.47 -0.17 0.00 0.27 0.00 0.00 31.44 29.64 2k4k n GLU 84 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2k4k s LYS 85 N -3.06 1.78 0.00 5.31 1.02 -1.26 -5.04 119.74 118.49 2k4k s LYS 85 Ca 0.77 -0.39 0.25 0.00 0.02 0.00 0.00 55.97 56.62 2k4k s LYS 85 Cb -0.40 -1.64 0.41 0.00 -0.52 0.00 0.00 37.83 35.68 2k4k s LYS 85 CO 0.45 -0.14 1.36 1.63 -0.92 0.00 0.00 175.35 177.73 2k4k n LYS 86 N 4.45 1.18 -0.87 1.68 5.02 -1.26 -4.92 118.16 123.44 2k4k n LYS 86 Ca -0.17 -0.86 -0.32 0.00 -2.02 0.00 0.00 58.31 54.94 2k4k n LYS 86 Cb 0.51 -1.48 0.15 0.00 -0.02 0.00 0.00 35.03 34.18 2k4k n LYS 86 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2k4k s GLU 87 N -2.41 1.31 0.96 1.97 2.12 -1.26 -5.02 118.70 116.37 2k4k s GLU 87 Ca 0.23 1.56 -0.11 0.00 0.36 0.00 0.00 54.97 57.01 2k4k s GLU 87 Cb 0.19 -1.76 0.17 0.00 0.26 0.00 0.00 34.13 32.99 2k4k s GLU 87 CO 0.51 -2.42 1.12 -1.12 -0.54 0.00 0.00 175.26 172.81 2k4k s SER 88 N -2.62 2.56 0.07 -1.70 0.01 -1.26 -5.09 113.70 105.66 2k4k s SER 88 Ca 0.68 2.01 0.03 0.00 1.31 0.00 0.00 55.95 59.98 2k4k s SER 88 Cb -0.23 -2.50 -0.03 0.00 0.21 0.00 0.00 66.02 63.47 2k4k s SER 88 CO 0.56 -3.30 -0.10 -0.54 0.41 0.00 0.00 173.24 170.27 2k4k s LYS 89 N -4.63 0.69 0.98 12.44 3.01 -1.26 -5.01 119.74 125.96 2k4k s LYS 89 Ca 0.67 -0.93 -0.12 0.00 -1.01 0.00 0.00 55.97 54.58 2k4k s LYS 89 Cb -0.23 -0.49 0.18 0.00 -1.01 0.00 0.00 37.83 36.28 2k4k s LYS 89 CO 0.59 0.09 1.08 -1.25 0.51 0.00 0.00 175.35 176.38 2k4k s PRO 90 N -2.02 0.58 0.41 -1.68 0.04 -1.26 -4.95 135.00 126.14 2k4k s PRO 90 Ca -0.03 0.77 0.10 0.00 0.04 0.00 0.00 61.00 61.88 2k4k s PRO 90 Cb -0.08 -1.74 0.93 0.00 0.04 0.00 0.00 34.50 33.66 2k4k s PRO 90 CO 0.01 -2.69 2.00 0.07 0.04 0.00 0.00 177.00 176.43 2k4k h ARG 91 N -1.87 0.49 -2.60 4.56 0.11 -2.01 -3.42 114.38 109.64 2k4k h ARG 91 Ca -0.53 -0.03 -0.10 0.00 0.10 0.00 0.00 59.98 59.42 2k4k h ARG 91 Cb 1.31 -0.11 -0.22 0.00 1.11 0.00 0.00 29.97 32.06 2k4k h ARG 91 CO 0.54 0.33 -0.13 0.21 0.10 0.00 0.00 179.97 181.02 2k4k s LYS 92 N -5.47 0.68 0.50 0.08 2.20 -1.26 -5.05 119.74 111.41 2k4k s LYS 92 Ca -0.08 0.35 0.25 0.00 -0.36 0.00 0.00 55.97 56.12 2k4k s LYS 92 Cb 0.19 0.32 1.32 0.00 -1.51 0.00 0.00 37.83 38.15 2k4k s LYS 92 CO 0.75 -0.15 1.91 -1.35 -0.36 0.00 0.00 175.35 176.15 2k4k h PRO 93 N 4.52 0.14 0.00 4.03 0.11 -1.83 -0.85 132.00 138.11 2k4k h PRO 93 Ca -0.28 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2k4k h PRO 93 Cb 1.17 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2k4k h PRO 93 CO 0.29 0.09 0.16 0.87 -0.21 0.00 0.00 178.00 179.20 2k4k h LYS 94 N 0.14 0.00 -0.04 1.05 1.57 -1.92 -1.44 116.57 115.93 2k4k h LYS 94 Ca 0.38 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 59.17 2k4k h LYS 94 Cb 1.29 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.60 2k4k h LYS 94 CO -0.06 0.00 0.17 0.00 -0.57 0.00 0.00 179.45 179.00 2k4k h ALA 95 N 1.65 1.30 0.00 3.86 0.00 -1.50 -3.09 119.26 121.48 2k4k h ALA 95 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2k4k h ALA 95 Cb 0.32 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 2k4k h ALA 95 CO 0.00 -0.19 -0.00 0.00 0.00 0.00 0.00 179.25 179.05 2k4k n ALA 96 N -2.06 3.06 -3.90 0.00 0.00 -0.54 -4.75 120.51 112.32 2k4k n ALA 96 Ca -0.02 -0.09 -0.15 0.00 0.00 0.00 0.00 53.44 53.18 2k4k n ALA 96 Cb 0.25 -1.49 -0.05 0.00 0.00 0.00 0.00 19.45 18.16 2k4k n ALA 96 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2k4k n GLN 97 N 1.79 0.38 -0.55 0.00 1.13 -1.17 -4.72 117.38 114.23 2k4k n GLN 97 Ca 0.02 -2.40 0.00 0.00 -1.94 0.00 0.00 57.00 52.68 2k4k n GLN 97 Cb 0.31 2.06 0.00 0.00 0.11 0.00 0.00 30.24 32.73 2k4k n GLN 97 CO 0.00 0.00 0.00 1.33 -1.44 0.00 0.00 177.06 176.95 2k4k n VAL 98 N -0.47 0.00 0.20 5.09 0.24 -1.26 -5.01 118.33 117.12 2k4k n VAL 98 Ca 0.04 0.00 0.02 0.00 -2.04 0.00 0.00 64.34 62.36 2k4k n VAL 98 Cb 0.45 0.00 0.10 0.00 -1.47 0.00 0.00 33.84 32.92 2k4k n VAL 98 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2k4k n SER 99 N -0.41 0.00 -4.02 -1.34 7.64 -1.26 -4.64 113.62 109.59 2k4k n SER 99 Ca 0.00 0.07 -0.10 0.00 1.01 0.00 0.00 58.87 59.85 2k4k n SER 99 Cb 0.00 -0.15 -0.07 0.00 -1.01 0.00 0.00 64.21 62.98 2k4k n SER 99 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2k4k s GLU 100 N -2.31 1.28 0.06 1.43 2.56 -1.26 -5.13 118.70 115.34 2k4k s GLU 100 Ca 0.04 -1.29 -0.36 0.00 0.00 0.00 0.00 54.97 53.37 2k4k s GLU 100 Cb 0.02 0.38 -0.16 0.00 2.00 0.00 0.00 34.13 36.38 2k4k s GLU 100 CO 0.05 -0.48 1.47 -1.91 -0.56 0.00 0.00 175.26 173.83 2k4k n GLU 101 N -0.27 1.49 0.00 4.30 2.13 -1.26 -4.86 120.64 122.17 2k4k n GLU 101 Ca -0.04 0.54 0.00 0.00 0.66 0.00 0.00 57.16 58.32 2k4k n GLU 101 Cb 0.63 -2.23 0.00 0.00 0.27 0.00 0.00 31.44 30.11 2k4k n GLU 101 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2k4k n ALA 102 N 3.26 2.25 -4.04 4.31 0.00 -1.26 -4.80 120.51 120.23 2k4k n ALA 102 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.31 2k4k n ALA 102 Cb 0.22 -1.00 -0.00 0.00 0.00 0.00 0.00 19.45 18.66 2k4k n ALA 102 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2k4k n SER 103 N -0.10 -3.22 -0.22 0.00 7.64 -1.26 -4.91 113.62 111.55 2k4k n SER 103 Ca 0.00 -0.92 0.01 0.00 1.01 0.00 0.00 58.87 58.97 2k4k n SER 103 Cb 0.14 -3.28 0.12 0.00 -1.01 0.00 0.00 64.21 60.18 2k4k n SER 103 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 2k4k h THR 104 N -1.79 0.81 -3.97 0.44 2.02 -1.87 -3.43 112.91 105.12 2k4k h THR 104 Ca -0.59 -0.18 -0.55 0.00 0.77 0.00 0.00 66.41 65.86 2k4k h THR 104 Cb 1.38 0.26 0.17 0.00 -1.74 0.00 0.00 68.15 68.22 2k4k h THR 104 CO 0.70 0.09 0.29 -2.65 0.37 0.00 0.00 175.52 174.33 2k4k n PRO 105 N -4.92 0.62 -3.95 6.66 -0.02 -1.01 -4.69 135.00 127.69 2k4k n PRO 105 Ca 0.10 0.27 -0.09 0.00 -2.02 0.00 0.00 63.50 61.76 2k4k n PRO 105 Cb 0.27 -2.37 -0.05 0.00 -0.02 0.00 0.00 33.50 31.33 2k4k n PRO 105 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 2k4k s GLN 106 N -3.52 1.52 0.04 -0.52 -2.07 -1.26 -4.98 119.66 108.87 2k4k s GLN 106 Ca 0.76 -1.17 -0.01 0.00 -1.82 0.00 0.00 55.36 53.13 2k4k s GLN 106 Cb -0.34 0.49 0.01 0.00 -1.09 0.00 0.00 33.01 32.07 2k4k s GLN 106 CO 0.47 -0.64 0.05 0.41 -1.32 0.00 0.00 175.29 174.27 2k4k n GLY 107 N -0.37 -0.60 3.16 2.60 0.00 -1.26 -4.72 105.19 104.00 2k4k n GLY 107 Ca -0.03 -1.75 -0.09 0.00 0.00 0.00 0.00 46.02 44.15 2k4k n GLY 107 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2k4k s PHE 108 N -0.77 0.22 0.26 1.61 5.36 -1.26 -4.94 117.98 118.47 2k4k s PHE 108 Ca 0.03 -0.63 -0.04 0.00 -0.96 0.00 0.00 56.93 55.33 2k4k s PHE 108 Cb -0.00 -0.14 0.53 0.00 -0.34 0.00 0.00 43.02 43.07 2k4k s PHE 108 CO 0.02 -0.46 1.62 -0.97 -1.46 0.00 0.00 175.22 173.98 2k4k h ASN 109 N 3.11 -0.33 0.00 6.13 -1.24 -1.97 -3.45 115.58 117.83 2k4k h ASN 109 Ca -0.33 0.21 0.00 0.00 0.71 0.00 0.00 56.30 56.89 2k4k h ASN 109 Cb 1.18 0.36 0.00 0.00 0.73 0.00 0.00 38.32 40.60 2k4k h ASN 109 CO 0.56 -0.21 0.00 0.41 -1.29 0.00 0.00 177.43 176.90 2k4k n THR 110 N -5.36 0.00 -1.05 -3.57 -1.04 -1.26 -1.29 114.28 100.71 2k4k n THR 110 Ca 0.16 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.17 2k4k n THR 110 Cb 0.55 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.06 2k4k n THR 110 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2k4k n LEU 111 N 0.00 0.00 -0.09 -4.42 4.77 -1.26 -4.87 117.00 111.13 2k4k n LEU 111 Ca 0.00 -0.02 0.09 0.00 -0.03 0.00 0.00 56.01 56.05 2k4k n LEU 111 Cb 0.00 0.00 0.44 0.00 -2.33 0.00 0.00 43.42 41.53 2k4k n LEU 111 CO 0.00 0.02 1.19 0.11 -1.33 0.00 0.00 177.39 177.38 2k4k h LYS 112 N 0.00 0.52 -4.40 3.23 1.57 -1.56 -3.43 116.57 112.50 2k4k h LYS 112 Ca 0.00 -0.03 -0.20 0.00 -1.87 0.00 0.00 60.65 58.55 2k4k h LYS 112 Cb 0.89 -0.12 -0.14 0.00 0.08 0.00 0.00 32.23 32.94 2k4k h LYS 112 CO 0.00 0.34 -0.55 0.34 -0.57 0.00 0.00 179.45 179.01 2k4k s ASP 113 N -6.34 0.16 0.05 0.86 2.15 -1.26 -5.19 116.67 107.09 2k4k s ASP 113 Ca -0.08 -1.26 -0.03 0.00 0.43 0.00 0.00 52.55 51.61 2k4k s ASP 113 Cb 0.19 0.38 -0.03 0.00 -0.30 0.00 0.00 42.92 43.17 2k4k s ASP 113 CO 0.75 -0.85 0.02 -1.59 -0.17 0.00 0.00 175.17 173.33 2k4k s LYS 114 N -4.10 0.57 0.23 4.34 -2.85 -1.26 -4.82 119.74 111.84 2k4k s LYS 114 Ca 0.32 -0.98 -0.09 0.00 -1.00 0.00 0.00 55.97 54.22 2k4k s LYS 114 Cb 0.06 0.21 -0.01 0.00 -2.06 0.00 0.00 37.83 36.03 2k4k s LYS 114 CO 0.08 -0.12 0.37 -0.51 0.10 0.00 0.00 175.35 175.27 2k4k s LEU 115 N -2.46 0.60 0.24 2.77 1.43 -1.26 -5.05 118.68 114.93 2k4k s LEU 115 Ca -0.00 -1.05 -0.07 0.00 -1.03 0.00 0.00 54.13 51.98 2k4k s LEU 115 Cb 0.02 1.34 0.28 0.00 0.03 0.00 0.00 46.19 47.86 2k4k s LEU 115 CO -0.07 -1.04 1.87 -0.08 0.23 0.00 0.00 176.35 177.26 2k4k h GLU 116 N 2.38 1.02 -2.75 1.70 4.57 -2.02 -3.43 114.58 116.05 2k4k h GLU 116 Ca -0.29 -0.06 -0.11 0.00 -1.18 0.00 0.00 59.36 57.72 2k4k h GLU 116 Cb 1.25 -0.23 -0.21 0.00 -0.16 0.00 0.00 28.75 29.39 2k4k h GLU 116 CO 0.41 0.68 -0.19 -2.00 -1.18 0.00 0.00 179.01 176.73 2k4k s GLU 117 N -6.09 0.65 0.53 1.92 2.12 -1.26 -5.07 118.70 111.50 2k4k s GLU 117 Ca -0.13 0.20 0.18 0.00 0.36 0.00 0.00 54.97 55.58 2k4k s GLU 117 Cb 0.17 0.30 1.34 0.00 0.26 0.00 0.00 34.13 36.21 2k4k s GLU 117 CO 0.79 -0.15 2.16 2.35 -0.54 0.00 0.00 175.26 179.87 2k4k h TRP 118 N 4.42 0.00 -0.07 5.30 2.91 -1.99 -1.55 115.95 124.96 2k4k h TRP 118 Ca -0.28 0.00 0.02 0.00 1.13 0.00 0.00 58.89 59.76 2k4k h TRP 118 Cb 1.17 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 29.82 2k4k h TRP 118 CO 0.45 0.00 0.14 -0.84 -1.03 0.00 0.00 178.44 177.16 2k4k h ILE 119 N 0.00 0.26 0.00 2.65 3.07 -1.97 -2.84 117.51 118.67 2k4k h ILE 119 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 2k4k h ILE 119 Cb 0.02 0.88 0.00 0.00 -0.27 0.00 0.00 36.82 37.44 2k4k h ILE 119 CO -0.00 0.00 0.00 -0.62 -1.05 0.00 0.00 178.15 176.48 2k4k n GLU 120 N -3.44 0.01 0.17 0.16 -0.58 -0.58 -0.53 120.64 115.85 2k4k n GLU 120 Ca -0.01 0.37 0.18 0.00 -0.42 0.00 0.00 57.16 57.28 2k4k n GLU 120 Cb 0.23 -1.50 0.80 0.00 -0.57 0.00 0.00 31.44 30.40 2k4k n GLU 120 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2k4k h MET 121 N 0.00 0.00 0.00 3.49 -0.00 -1.74 -3.38 114.93 113.31 2k4k h MET 121 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 2k4k h MET 121 Cb 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.69 2k4k h MET 121 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.91 177.34 2k4k n SER 122 N -3.84 0.00 -4.78 -0.10 7.64 -0.51 -5.09 113.62 106.95 2k4k n SER 122 Ca 0.03 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.50 2k4k n SER 122 Cb 0.40 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.60 2k4k n SER 122 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2k4k s ASN 123 N -2.22 6.33 0.09 6.43 2.47 0.31 -5.04 114.94 123.31 2k4k s ASN 123 Ca 0.00 3.05 -0.03 0.00 0.42 0.00 0.00 52.86 56.31 2k4k s ASN 123 Cb 0.00 -2.66 -0.03 0.00 -1.45 0.00 0.00 41.25 37.10 2k4k s ASN 123 CO 0.00 -0.89 0.05 -0.13 -3.72 0.00 0.00 177.10 172.41 2k4k s ARG 124 N -1.87 0.78 0.53 0.43 0.52 -1.26 -4.53 118.95 113.56 2k4k s ARG 124 Ca 0.54 -1.26 -0.22 0.00 -0.52 0.00 0.00 55.73 54.28 2k4k s ARG 124 Cb -0.47 0.25 -0.06 0.00 0.52 0.00 0.00 34.95 35.19 2k4k s ARG 124 CO 0.61 -0.20 1.25 1.63 0.02 0.00 0.00 175.30 178.61 2k4k n LYS 125 N -0.00 1.57 -3.57 3.54 5.02 -1.26 -5.03 118.16 118.42 2k4k n LYS 125 Ca -0.11 0.58 -0.17 0.00 -2.02 0.00 0.00 58.31 56.59 2k4k n LYS 125 Cb 0.62 -2.44 -0.07 0.00 -0.02 0.00 0.00 35.03 33.13 2k4k n LYS 125 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2k4k s ASP 126 N -0.89 -0.57 -0.04 4.39 2.15 -1.26 -5.18 116.67 115.26 2k4k s ASP 126 Ca 0.70 0.64 -0.12 0.00 0.43 0.00 0.00 52.55 54.21 2k4k s ASP 126 Cb -0.44 0.55 0.02 0.00 -0.30 0.00 0.00 42.92 42.75 2k4k s ASP 126 CO 0.51 -0.55 0.27 -0.22 -0.17 0.00 0.00 175.17 175.01 2k4k s LEU 127 N -1.11 1.00 0.82 -1.34 2.96 -1.26 -5.17 118.68 114.58 2k4k s LEU 127 Ca -0.11 0.19 -0.13 0.00 -0.22 0.00 0.00 54.13 53.86 2k4k s LEU 127 Cb -0.01 1.07 0.09 0.00 0.50 0.00 0.00 46.19 47.84 2k4k s LEU 127 CO 0.08 -0.32 1.20 0.27 -1.32 0.00 0.00 176.35 176.26 2k4k s ILE 128 N -0.88 2.05 -0.01 6.68 -4.36 -1.26 -5.07 121.20 118.36 2k4k s ILE 128 Ca -0.10 0.02 -0.19 0.00 -0.26 0.00 0.00 60.65 60.13 2k4k s ILE 128 Cb -0.05 -2.38 0.04 0.00 1.25 0.00 0.00 42.46 41.32 2k4k s ILE 128 CO 0.03 -0.02 0.41 -0.75 0.24 0.00 0.00 174.94 174.85 2k4k s LYS 129 N -4.20 0.82 0.00 0.37 2.47 -1.26 -5.37 119.74 112.57 2k4k s LYS 129 Ca 0.72 -0.15 0.00 0.00 -1.56 0.00 0.00 55.97 54.99 2k4k s LYS 129 Cb -0.28 0.37 0.00 0.00 -1.46 0.00 0.00 37.83 36.46 2k4k s LYS 129 CO 0.51 -0.25 0.00 0.36 0.16 0.00 0.00 175.35 176.13