#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 0.42 -3.27 3.17 0.00 -1.26 -5.11 120.51 114.45 2k4k n ALA 2 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 2k4k n ALA 2 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 2k4k n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k4k n ALA 3 N -0.22 0.08 0.06 0.00 0.00 -1.26 -5.04 120.51 114.13 2k4k n ALA 3 Ca 0.00 -0.42 0.08 0.00 0.00 0.00 0.00 53.44 53.10 2k4k n ALA 3 Cb 0.00 0.34 0.53 0.00 0.00 0.00 0.00 19.45 20.32 2k4k n ALA 3 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2k4k h LYS 4 N 0.00 0.30 -2.93 0.00 1.57 -2.05 -3.45 116.57 110.01 2k4k h LYS 4 Ca -0.06 -0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.74 2k4k h LYS 4 Cb 0.28 -0.07 -0.09 0.00 0.08 0.00 0.00 32.23 32.43 2k4k h LYS 4 CO 0.08 0.20 0.25 -0.59 -0.57 0.00 0.00 179.45 178.82 2k4k s PHE 5 N -5.30 -0.35 0.23 -1.35 -0.71 -1.26 -5.17 117.98 104.07 2k4k s PHE 5 Ca -0.07 0.02 -0.04 0.00 -1.04 0.00 0.00 56.93 55.80 2k4k s PHE 5 Cb 0.18 0.63 -0.03 0.00 -1.21 0.00 0.00 43.02 42.60 2k4k s PHE 5 CO 0.72 -1.02 0.26 -1.21 -1.34 0.00 0.00 175.22 172.63 2k4k s GLU 6 N -3.78 1.39 0.22 1.99 8.01 -1.26 -4.93 118.70 120.34 2k4k s GLU 6 Ca 0.06 -1.57 -0.31 0.00 0.01 0.00 0.00 54.97 53.17 2k4k s GLU 6 Cb -0.03 0.34 -0.15 0.00 -4.31 0.00 0.00 34.13 29.98 2k4k s GLU 6 CO -0.03 -0.51 1.13 1.33 0.01 0.00 0.00 175.26 177.20 2k4k n VAL 7 N -0.35 1.29 0.00 2.63 0.24 -1.26 -1.91 118.33 118.97 2k4k n VAL 7 Ca 0.01 -0.32 0.00 0.00 -2.04 0.00 0.00 64.34 61.99 2k4k n VAL 7 Cb 0.64 -0.95 0.00 0.00 -1.47 0.00 0.00 33.84 32.06 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 1.76 2.15 3.71 7.63 0.00 -0.78 -5.01 105.19 114.65 2k4k n GLY 8 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.99 3.53 -0.08 1.61 0.01 -0.80 -4.78 113.70 110.20 2k4k s SER 9 Ca 0.00 1.89 0.02 0.00 1.31 0.00 0.00 55.95 59.17 2k4k s SER 9 Cb 0.00 -2.47 0.02 0.00 0.21 0.00 0.00 66.02 63.77 2k4k s SER 9 CO 0.00 -2.67 -0.12 -0.69 0.41 0.00 0.00 173.24 170.18 2k4k s VAL 10 N -2.79 1.16 0.34 3.43 1.01 -1.26 -0.95 120.40 121.34 2k4k s VAL 10 Ca 0.64 -0.47 0.06 0.00 0.00 0.00 0.00 61.98 62.21 2k4k s VAL 10 Cb -0.20 -1.08 -0.03 0.00 0.00 0.00 0.00 36.38 35.07 2k4k s VAL 10 CO 0.57 0.37 0.23 -0.31 0.00 0.00 0.00 175.10 175.96 2k4k s TYR 11 N 0.87 1.72 0.01 5.22 1.51 -0.31 -4.99 117.35 121.37 2k4k s TYR 11 Ca -0.11 -1.54 0.05 0.00 -1.01 0.00 0.00 57.07 54.46 2k4k s TYR 11 Cb -0.15 -0.83 -0.02 0.00 -0.11 0.00 0.00 41.96 40.85 2k4k s TYR 11 CO 0.01 -0.69 -0.15 0.99 -1.11 0.00 0.00 175.55 174.60 2k4k s THR 12 N -3.43 1.21 0.26 -0.71 2.01 -1.26 -0.54 115.64 113.18 2k4k s THR 12 Ca 0.36 -0.78 -0.06 0.00 0.31 0.00 0.00 61.69 61.52 2k4k s THR 12 Cb 0.03 -1.04 0.02 0.00 0.01 0.00 0.00 72.50 71.53 2k4k s THR 12 CO 0.23 0.25 0.45 0.61 -0.69 0.00 0.00 174.62 175.46 2k4k n GLY 13 N 2.44 1.80 3.00 4.40 0.00 -0.21 -4.83 105.19 111.79 2k4k n GLY 13 Ca -0.15 -1.34 -0.26 0.00 0.00 0.00 0.00 46.02 44.26 2k4k n GLY 13 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k4k s LYS 14 N -2.28 1.80 0.11 1.61 2.36 -0.20 -0.88 119.74 122.25 2k4k s LYS 14 Ca 0.15 -0.41 -0.31 0.00 -2.55 0.00 0.00 55.97 52.85 2k4k s LYS 14 Cb -0.02 -1.60 -0.08 0.00 -1.05 0.00 0.00 37.83 35.07 2k4k s LYS 14 CO 0.11 -0.09 1.49 0.08 1.55 0.00 0.00 175.35 178.48 2k4k s VAL 15 N 1.09 3.11 -0.23 4.02 1.01 0.09 -1.06 120.40 128.43 2k4k s VAL 15 Ca -0.06 0.74 0.06 0.00 0.00 0.00 0.00 61.98 62.72 2k4k s VAL 15 Cb -0.14 -3.47 -0.07 0.00 0.00 0.00 0.00 36.38 32.69 2k4k s VAL 15 CO -0.02 0.04 0.23 0.35 0.00 0.00 0.00 175.10 175.70 2k4k n THR 16 N 4.17 0.00 -3.61 3.92 -2.24 0.12 -1.96 114.28 114.67 2k4k n THR 16 Ca 0.13 -0.32 0.01 0.00 -2.27 0.00 0.00 64.05 61.60 2k4k n THR 16 Cb 0.41 0.87 -0.01 0.00 -2.10 0.00 0.00 70.33 69.51 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 -1.78 -0.39 0.06 3.38 0.00 -1.20 -4.94 107.32 102.44 2k4k s GLY 17 Ca 0.01 0.96 0.05 0.00 0.00 0.00 0.00 44.72 45.75 2k4k s GLY 17 CO 0.25 0.23 -0.15 1.08 0.00 0.00 0.00 173.10 174.51 2k4k s LEU 18 N -2.78 2.23 0.10 0.66 1.43 -1.26 -1.02 118.68 118.03 2k4k s LEU 18 Ca 0.13 -0.56 -0.07 0.00 -1.03 0.00 0.00 54.13 52.60 2k4k s LEU 18 Cb 0.04 -0.58 -0.01 0.00 0.03 0.00 0.00 46.19 45.67 2k4k s LEU 18 CO -0.04 -0.02 0.17 -1.10 0.23 0.00 0.00 176.35 175.58 2k4k s GLN 19 N -1.50 0.86 0.00 1.70 -0.21 0.39 -4.99 119.66 115.91 2k4k s GLN 19 Ca -0.00 -1.04 0.03 0.00 0.02 0.00 0.00 55.36 54.37 2k4k s GLN 19 Cb -0.09 0.33 0.16 0.00 1.00 0.00 0.00 33.01 34.41 2k4k s GLN 19 CO 0.02 -0.27 0.93 0.00 -2.12 0.00 0.00 175.29 173.85 2k4k n ALA 20 N -0.06 1.34 -0.21 6.09 0.00 -1.26 -2.04 120.51 124.36 2k4k n ALA 20 Ca -0.13 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2k4k n ALA 20 Cb 0.62 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 19.02 2k4k n ALA 20 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2k4k n TYR 21 N -1.30 0.00 -0.06 0.00 9.36 -1.26 -4.93 117.16 118.98 2k4k n TYR 21 Ca 0.01 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.23 2k4k n TYR 21 Cb 0.03 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.74 2k4k n TYR 21 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2k4k n GLY 22 N 0.05 -2.76 3.15 2.98 0.00 -0.87 -0.96 105.19 106.79 2k4k n GLY 22 Ca 0.00 -1.30 -0.31 0.00 0.00 0.00 0.00 46.02 44.41 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 -1.98 2.08 0.29 4.61 0.00 0.31 -0.46 121.76 126.61 2k4k s ALA 23 Ca 0.00 -0.97 -0.28 0.00 0.00 0.00 0.00 51.96 50.71 2k4k s ALA 23 Cb 0.00 -0.91 -0.09 0.00 0.00 0.00 0.00 23.12 22.12 2k4k s ALA 23 CO 0.00 0.03 1.02 -0.06 0.00 0.00 0.00 175.76 176.75 2k4k s PHE 24 N 0.76 3.67 -0.12 0.00 0.08 -0.19 -0.72 117.98 121.46 2k4k s PHE 24 Ca -0.09 1.77 -0.03 0.00 0.12 0.00 0.00 56.93 58.70 2k4k s PHE 24 Cb -0.16 -3.11 0.04 0.00 -0.57 0.00 0.00 43.02 39.22 2k4k s PHE 24 CO 0.00 -0.14 0.04 0.08 -0.10 0.00 0.00 175.22 175.10 2k4k s VAL 25 N -1.31 0.25 0.45 -0.44 1.01 -0.20 -0.71 120.40 119.45 2k4k s VAL 25 Ca 0.46 -0.09 -0.21 0.00 0.00 0.00 0.00 61.98 62.14 2k4k s VAL 25 Cb -0.27 -0.63 -0.09 0.00 0.00 0.00 0.00 36.38 35.39 2k4k s VAL 25 CO 0.34 -0.00 1.02 0.00 0.00 0.00 0.00 175.10 176.45 2k4k s ALA 26 N 2.00 2.97 0.00 5.51 0.00 -0.22 -1.27 121.76 130.75 2k4k s ALA 26 Ca 0.03 0.58 0.00 0.00 0.00 0.00 0.00 51.96 52.57 2k4k s ALA 26 Cb -0.14 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.74 2k4k s ALA 26 CO -0.06 -0.18 0.00 1.28 0.00 0.00 0.00 175.76 176.80 2k4k n LEU 27 N -0.63 0.00 -4.02 0.00 4.77 0.03 -1.04 117.00 116.11 2k4k n LEU 27 Ca 0.08 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.95 2k4k n LEU 27 Cb 0.52 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.57 2k4k n LEU 27 CO 0.40 0.00 0.18 -0.62 -1.33 0.00 0.00 177.39 176.02 2k4k s ASP 28 N -1.57 0.21 0.15 -1.43 2.15 -0.36 -4.93 116.67 110.90 2k4k s ASP 28 Ca 0.00 -1.13 0.11 0.00 0.43 0.00 0.00 52.55 51.96 2k4k s ASP 28 Cb 0.00 0.62 0.56 0.00 -0.30 0.00 0.00 42.92 43.80 2k4k s ASP 28 CO 0.00 -1.22 1.33 -0.62 -0.17 0.00 0.00 175.17 174.49 2k4k n GLU 29 N -0.44 0.07 -0.39 4.34 -0.58 -1.26 -2.65 120.64 119.73 2k4k n GLU 29 Ca -0.01 0.55 0.00 0.00 -0.42 0.00 0.00 57.16 57.28 2k4k n GLU 29 Cb 0.62 -1.71 0.00 0.00 -0.57 0.00 0.00 31.44 29.77 2k4k n GLU 29 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 2k4k n GLU 30 N -1.85 0.00 -3.77 3.49 0.28 -1.26 -5.08 120.64 112.45 2k4k n GLU 30 Ca -0.00 -0.69 -0.13 0.00 -0.16 0.00 0.00 57.16 56.17 2k4k n GLU 30 Cb 0.03 -0.39 -0.13 0.00 1.43 0.00 0.00 31.44 32.37 2k4k n GLU 30 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 2k4k s THR 31 N 0.00 -0.03 0.09 3.84 2.01 -1.08 -5.10 115.64 115.36 2k4k s THR 31 Ca 0.00 0.11 -0.25 0.00 0.31 0.00 0.00 61.69 61.86 2k4k s THR 31 Cb 0.00 -0.27 0.07 0.00 0.01 0.00 0.00 72.50 72.31 2k4k s THR 31 CO 0.00 0.04 0.60 -1.58 -0.69 0.00 0.00 174.62 173.00 2k4k s GLN 32 N 0.79 1.19 0.28 4.92 -0.44 -1.26 -0.79 119.66 124.34 2k4k s GLN 32 Ca -0.06 -0.26 -0.01 0.00 -2.50 0.00 0.00 55.36 52.53 2k4k s GLN 32 Cb -0.07 0.55 0.00 0.00 -1.64 0.00 0.00 33.01 31.85 2k4k s GLN 32 CO -0.04 -0.47 0.38 0.41 0.50 0.00 0.00 175.29 176.07 2k4k n GLY 33 N 0.05 2.37 2.80 2.59 0.00 -0.40 -4.41 105.19 108.20 2k4k n GLY 33 Ca -0.18 -1.59 -0.29 0.00 0.00 0.00 0.00 46.02 43.96 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 2.23 -0.09 0.99 2.96 0.09 -1.03 118.68 123.83 2k4k s LEU 34 Ca 0.24 -1.35 -0.29 0.00 -0.22 0.00 0.00 54.13 52.50 2k4k s LEU 34 Cb -0.01 -0.93 -0.05 0.00 0.50 0.00 0.00 46.19 45.70 2k4k s LEU 34 CO 0.17 -0.34 1.75 -0.69 -1.32 0.00 0.00 176.35 175.92 2k4k s VAL 35 N 1.57 3.46 0.41 1.68 1.01 0.10 -1.44 120.40 127.20 2k4k s VAL 35 Ca 0.03 0.54 -0.23 0.00 0.00 0.00 0.00 61.98 62.32 2k4k s VAL 35 Cb -0.18 -3.39 -0.09 0.00 0.00 0.00 0.00 36.38 32.72 2k4k s VAL 35 CO -0.15 -0.10 1.03 -1.00 0.00 0.00 0.00 175.10 174.88 2k4k s HIS 36 N 4.74 3.27 0.33 5.22 0.09 -1.23 -0.53 115.29 127.18 2k4k s HIS 36 Ca 0.78 1.64 0.05 0.00 -0.00 0.00 0.00 55.06 57.53 2k4k s HIS 36 Cb -0.33 -3.07 0.68 0.00 -0.00 0.00 0.00 32.58 29.86 2k4k s HIS 36 CO 0.32 -0.53 1.87 0.97 -0.00 0.00 0.00 174.74 177.37 2k4k h ILE 37 N 2.10 0.92 0.00 0.60 2.10 -1.39 0.64 117.51 122.48 2k4k h ILE 37 Ca -0.48 -0.29 0.00 0.00 1.08 0.00 0.00 64.86 65.17 2k4k h ILE 37 Cb 1.21 -0.00 0.00 0.00 -1.09 0.00 0.00 36.82 36.94 2k4k h ILE 37 CO 0.62 0.15 0.00 -1.20 -1.08 0.00 0.00 178.15 176.64 2k4k n SER 38 N -4.56 0.00 0.00 2.19 7.64 -1.26 -2.27 113.62 115.36 2k4k n SER 38 Ca 0.17 0.14 0.00 0.00 1.01 0.00 0.00 58.87 60.19 2k4k n SER 38 Cb 0.37 -0.28 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 2k4k n SER 38 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2k4k n GLU 39 N -1.28 0.29 0.06 1.43 -0.58 0.21 -4.72 120.64 116.05 2k4k n GLU 39 Ca 0.04 -0.79 -0.13 0.00 -0.42 0.00 0.00 57.16 55.87 2k4k n GLU 39 Cb 0.07 -0.97 -0.03 0.00 -0.57 0.00 0.00 31.44 29.94 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 0.09 1.40 -2.71 2.62 2.07 -1.36 0.12 116.25 118.47 2k4k h VAL 40 Ca 0.00 -2.39 -0.07 0.00 0.82 0.00 0.00 66.70 65.06 2k4k h VAL 40 Cb 0.19 2.36 -0.17 0.00 -1.52 0.00 0.00 31.29 32.15 2k4k h VAL 40 CO 0.00 0.72 0.01 -0.89 0.02 0.00 0.00 177.57 177.42 2k4k s THR 41 N -3.33 0.03 -0.84 2.57 2.01 -1.26 -3.37 115.64 111.44 2k4k s THR 41 Ca -0.06 -0.26 -0.08 0.00 0.31 0.00 0.00 61.69 61.60 2k4k s THR 41 Cb 0.09 -0.94 -0.17 0.00 0.01 0.00 0.00 72.50 71.49 2k4k s THR 41 CO 0.86 -0.14 3.28 1.57 -0.69 0.00 0.00 174.62 179.50 2k4k n HIS 42 N 0.59 1.26 -3.90 4.92 -0.00 -1.26 -4.79 115.22 112.05 2k4k n HIS 42 Ca -0.19 -2.32 -0.03 0.00 0.46 0.00 0.00 57.72 55.64 2k4k n HIS 42 Cb 0.59 -2.05 0.02 0.00 -0.12 0.00 0.00 29.99 28.43 2k4k n HIS 42 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2k4k n GLY 43 N 3.02 0.60 3.57 1.57 0.00 -1.26 -5.10 105.19 107.59 2k4k n GLY 43 Ca 0.61 -1.15 -0.40 0.00 0.00 0.00 0.00 46.02 45.09 2k4k n GLY 43 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2k4k s PHE 44 N -2.15 1.77 -1.19 1.61 5.36 -1.26 -4.90 117.98 117.22 2k4k s PHE 44 Ca 0.23 0.73 -0.19 0.00 -0.96 0.00 0.00 56.93 56.73 2k4k s PHE 44 Cb -0.03 -4.12 -0.03 0.00 -0.34 0.00 0.00 43.02 38.50 2k4k s PHE 44 CO 0.05 -2.46 1.93 0.28 -1.46 0.00 0.00 175.22 173.56 2k4k n VAL 45 N 7.26 2.83 -0.08 3.12 0.31 -1.26 -4.78 118.33 125.72 2k4k n VAL 45 Ca 0.21 -2.77 0.12 0.00 -0.01 0.00 0.00 64.34 61.89 2k4k n VAL 45 Cb 0.50 -2.34 0.51 0.00 -0.91 0.00 0.00 33.84 31.59 2k4k n VAL 45 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 2k4k h LYS 46 N 7.94 0.39 -2.67 5.55 2.10 -1.98 -3.41 116.57 124.49 2k4k h LYS 46 Ca 0.40 -0.02 -0.11 0.00 -2.00 0.00 0.00 60.65 58.91 2k4k h LYS 46 Cb 0.80 -0.09 -0.25 0.00 -0.90 0.00 0.00 32.23 31.80 2k4k h LYS 46 CO 1.58 0.26 -0.24 0.34 -2.00 0.00 0.00 179.45 179.39 2k4k s ASP 47 N -6.24 -0.48 0.31 7.07 -1.08 -1.26 -5.08 116.67 109.91 2k4k s ASP 47 Ca -0.08 0.89 0.05 0.00 -0.52 0.00 0.00 52.55 52.89 2k4k s ASP 47 Cb 0.20 0.85 0.51 0.00 -1.46 0.00 0.00 42.92 43.02 2k4k s ASP 47 CO 0.75 -0.17 1.77 -0.29 0.52 0.00 0.00 175.17 177.75 2k4k h ILE 48 N 4.82 1.25 0.00 4.11 2.10 -1.90 -2.80 117.51 125.10 2k4k h ILE 48 Ca -0.30 -1.17 0.00 0.00 1.08 0.00 0.00 64.86 64.47 2k4k h ILE 48 Cb 1.18 1.33 0.00 0.00 -1.09 0.00 0.00 36.82 38.24 2k4k h ILE 48 CO 0.25 0.37 0.00 -0.55 -1.08 0.00 0.00 178.15 177.14 2k4k h ASN 49 N 0.36 0.00 0.34 2.19 7.08 -1.96 0.06 115.58 123.65 2k4k h ASN 49 Ca 0.06 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.28 2k4k h ASN 49 Cb 0.60 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.84 2k4k h ASN 49 CO 0.04 0.00 -0.06 -0.62 -2.08 0.00 0.00 177.43 174.71 2k4k n GLU 50 N -2.69 0.71 0.00 4.14 -0.58 -1.05 -4.26 120.64 116.90 2k4k n GLU 50 Ca 0.01 -0.17 0.00 0.00 -0.42 0.00 0.00 57.16 56.57 2k4k n GLU 50 Cb 0.22 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.60 2k4k n GLU 50 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 2k4k n HIS 51 N -0.99 0.00 -4.14 -0.32 8.25 -0.41 -5.07 115.22 112.53 2k4k n HIS 51 Ca 0.16 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.46 2k4k n HIS 51 Cb 0.25 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.30 2k4k n HIS 51 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 2k4k s LEU 52 N -0.94 1.20 -0.06 2.41 2.96 -0.13 -4.87 118.68 119.25 2k4k s LEU 52 Ca 0.00 -1.54 -0.04 0.00 -0.22 0.00 0.00 54.13 52.33 2k4k s LEU 52 Cb 0.00 1.19 0.02 0.00 0.50 0.00 0.00 46.19 47.90 2k4k s LEU 52 CO 0.00 -1.21 0.15 -0.44 -1.32 0.00 0.00 176.35 173.52 2k4k s SER 53 N -3.26 -0.14 0.64 3.68 0.01 -1.26 -4.31 113.70 109.06 2k4k s SER 53 Ca 0.33 0.30 -0.15 0.00 1.31 0.00 0.00 55.95 57.74 2k4k s SER 53 Cb 0.01 0.26 -0.01 0.00 0.21 0.00 0.00 66.02 66.49 2k4k s SER 53 CO 0.22 -0.09 1.11 0.54 0.41 0.00 0.00 173.24 175.42 2k4k s VAL 54 N 0.53 3.26 -1.00 3.43 0.11 -1.26 -3.96 120.40 121.51 2k4k s VAL 54 Ca -0.04 0.61 -0.02 0.00 -2.93 0.00 0.00 61.98 59.60 2k4k s VAL 54 Cb -0.05 -3.13 0.00 0.00 -1.53 0.00 0.00 36.38 31.66 2k4k s VAL 54 CO -0.02 -0.35 0.20 0.61 -3.33 0.00 0.00 175.10 172.21 2k4k n GLY 55 N -0.48 -0.09 3.32 6.54 0.00 -0.83 -4.99 105.19 108.66 2k4k n GLY 55 Ca 0.10 -0.29 -0.17 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.64 2.18 -0.16 1.61 2.15 -1.25 -4.95 116.67 113.61 2k4k s ASP 56 Ca 0.10 -1.08 -0.08 0.00 0.43 0.00 0.00 52.55 51.92 2k4k s ASP 56 Cb -0.04 -0.07 -0.04 0.00 -0.30 0.00 0.00 42.92 42.46 2k4k s ASP 56 CO 0.12 -0.32 0.12 -0.70 -0.17 0.00 0.00 175.17 174.23 2k4k s GLU 57 N -3.74 3.76 -0.01 4.34 2.12 -1.26 -0.73 118.70 123.18 2k4k s GLU 57 Ca 0.23 -0.20 -0.03 0.00 0.36 0.00 0.00 54.97 55.33 2k4k s GLU 57 Cb 0.02 -3.26 -0.00 0.00 0.26 0.00 0.00 34.13 31.15 2k4k s GLU 57 CO 0.06 0.54 0.07 0.14 -0.54 0.00 0.00 175.26 175.53 2k4k s VAL 58 N -0.36 0.05 0.01 3.70 -7.23 -0.06 -4.99 120.40 111.53 2k4k s VAL 58 Ca 0.11 -0.45 -0.20 0.00 -1.81 0.00 0.00 61.98 59.63 2k4k s VAL 58 Cb -0.12 -0.25 -0.06 0.00 0.56 0.00 0.00 36.38 36.51 2k4k s VAL 58 CO 0.01 -0.25 0.58 -1.10 -0.31 0.00 0.00 175.10 174.04 2k4k s GLN 59 N -0.78 4.28 0.04 4.82 -0.21 -1.26 -1.05 119.66 125.50 2k4k s GLN 59 Ca -0.09 0.72 0.06 0.00 0.02 0.00 0.00 55.36 56.08 2k4k s GLN 59 Cb -0.05 -3.32 -0.02 0.00 1.00 0.00 0.00 33.01 30.62 2k4k s GLN 59 CO 0.00 0.43 -0.18 0.14 -2.12 0.00 0.00 175.29 173.56 2k4k s VAL 60 N -0.40 1.48 -0.17 1.09 -7.23 0.30 -4.74 120.40 110.72 2k4k s VAL 60 Ca 0.30 -1.12 -0.08 0.00 -1.81 0.00 0.00 61.98 59.27 2k4k s VAL 60 Cb -0.18 -1.30 -0.05 0.00 0.56 0.00 0.00 36.38 35.41 2k4k s VAL 60 CO 0.17 0.15 0.11 -0.75 -0.31 0.00 0.00 175.10 174.47 2k4k s LYS 61 N -1.14 3.93 0.15 4.82 2.20 -0.64 -1.17 119.74 127.89 2k4k s LYS 61 Ca 0.06 -0.23 -0.31 0.00 -0.36 0.00 0.00 55.97 55.12 2k4k s LYS 61 Cb -0.08 -3.30 -0.09 0.00 -1.51 0.00 0.00 37.83 32.85 2k4k s LYS 61 CO 0.02 0.42 1.43 0.08 -0.36 0.00 0.00 175.35 176.93 2k4k s VAL 62 N 0.00 3.05 -0.10 4.02 1.01 -0.13 -0.90 120.40 127.36 2k4k s VAL 62 Ca 0.09 0.78 0.02 0.00 0.00 0.00 0.00 61.98 62.87 2k4k s VAL 62 Cb -0.12 -3.50 -0.07 0.00 0.00 0.00 0.00 36.38 32.69 2k4k s VAL 62 CO -0.00 0.07 -0.07 -0.11 0.00 0.00 0.00 175.10 175.00 2k4k n LEU 63 N 3.62 2.42 -3.62 3.92 7.94 -0.02 -1.86 117.00 129.40 2k4k n LEU 63 Ca 0.11 -0.04 -0.10 0.00 -1.11 0.00 0.00 56.01 54.86 2k4k n LEU 63 Cb 0.41 -0.25 -0.03 0.00 0.53 0.00 0.00 43.42 44.09 2k4k n LEU 63 CO 0.59 0.58 0.34 0.00 -1.11 0.00 0.00 177.39 177.79 2k4k s ALA 64 N -2.20 -1.24 -0.14 1.96 0.00 -0.99 -4.83 121.76 114.32 2k4k s ALA 64 Ca -0.12 0.07 -0.00 0.00 0.00 0.00 0.00 51.96 51.91 2k4k s ALA 64 Cb 0.03 0.85 0.03 0.00 0.00 0.00 0.00 23.12 24.03 2k4k s ALA 64 CO 0.25 -0.80 -0.06 0.08 0.00 0.00 0.00 175.76 175.22 2k4k s VAL 65 N -3.82 1.06 -0.01 0.00 1.01 -1.26 -0.84 120.40 116.53 2k4k s VAL 65 Ca 0.05 -0.47 -0.20 0.00 0.00 0.00 0.00 61.98 61.37 2k4k s VAL 65 Cb -0.01 -1.17 -0.30 0.00 0.00 0.00 0.00 36.38 34.90 2k4k s VAL 65 CO -0.07 0.23 0.98 -0.78 0.00 0.00 0.00 175.10 175.46 2k4k h ASP 66 N 8.15 0.58 -6.11 3.32 1.82 -1.45 -3.48 116.42 119.25 2k4k h ASP 66 Ca -0.27 -0.89 -0.37 0.00 -0.39 0.00 0.00 57.03 55.11 2k4k h ASP 66 Cb 1.12 -0.19 -0.19 0.00 0.68 0.00 0.00 39.33 40.75 2k4k h ASP 66 CO 0.40 1.42 -0.54 1.21 -1.61 0.00 0.00 179.24 180.12 2k4k n GLU 67 N -4.06 -2.08 0.00 0.28 2.13 -1.25 -4.66 120.64 111.00 2k4k n GLU 67 Ca -0.13 0.18 0.00 0.00 0.66 0.00 0.00 57.16 57.86 2k4k n GLU 67 Cb 0.85 -4.76 0.00 0.00 0.27 0.00 0.00 31.44 27.79 2k4k n GLU 67 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 2k4k n GLU 68 N -3.50 2.17 0.00 5.31 0.28 -1.26 -4.74 120.64 118.89 2k4k n GLU 68 Ca 0.05 0.00 0.06 0.00 -0.16 0.00 0.00 57.16 57.12 2k4k n GLU 68 Cb 0.49 -0.59 0.01 0.00 1.43 0.00 0.00 31.44 32.78 2k4k n GLU 68 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 2k4k n LYS 69 N -0.59 1.64 -2.98 3.44 4.81 -1.26 -5.01 118.16 118.22 2k4k n LYS 69 Ca 0.00 -0.85 -0.12 0.00 -0.87 0.00 0.00 58.31 56.47 2k4k n LYS 69 Cb 0.06 -1.20 0.06 0.00 0.02 0.00 0.00 35.03 33.97 2k4k n LYS 69 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2k4k n GLY 70 N 0.95 -0.09 3.34 3.14 0.00 -1.26 -5.05 105.19 106.22 2k4k n GLY 70 Ca 0.06 -0.09 -0.18 0.00 0.00 0.00 0.00 46.02 45.81 2k4k n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k4k s LYS 71 N -4.97 1.37 -0.03 1.61 -0.14 -1.26 -4.95 119.74 111.37 2k4k s LYS 71 Ca 0.02 -1.69 -0.01 0.00 -1.36 0.00 0.00 55.97 52.94 2k4k s LYS 71 Cb -0.01 -0.70 0.03 0.00 -1.68 0.00 0.00 37.83 35.47 2k4k s LYS 71 CO 0.49 -0.07 0.04 0.42 -0.76 0.00 0.00 175.35 175.47 2k4k s ILE 72 N -3.35 -0.07 0.13 2.17 1.01 -1.26 -0.99 121.20 118.83 2k4k s ILE 72 Ca 0.28 0.27 -0.18 0.00 0.00 0.00 0.00 60.65 61.02 2k4k s ILE 72 Cb 0.05 -0.10 -0.07 0.00 0.01 0.00 0.00 42.46 42.35 2k4k s ILE 72 CO 0.09 0.11 0.60 -0.44 0.00 0.00 0.00 174.94 175.30 2k4k s SER 73 N 1.34 6.99 0.33 3.58 0.01 -0.02 -0.73 113.70 125.20 2k4k s SER 73 Ca -0.06 1.24 0.04 0.00 1.31 0.00 0.00 55.95 58.48 2k4k s SER 73 Cb -0.13 -2.35 -0.06 0.00 0.21 0.00 0.00 66.02 63.69 2k4k s SER 73 CO -0.03 0.17 0.06 -0.76 0.41 0.00 0.00 173.24 173.09 2k4k s LEU 74 N -1.58 2.16 0.01 2.44 1.43 -0.52 -0.84 118.68 121.78 2k4k s LEU 74 Ca 0.35 -1.40 -0.06 0.00 -1.03 0.00 0.00 54.13 51.99 2k4k s LEU 74 Cb -0.17 -0.36 -0.00 0.00 0.03 0.00 0.00 46.19 45.68 2k4k s LEU 74 CO 0.20 -0.63 0.12 -0.94 0.23 0.00 0.00 176.35 175.32 2k4k s SER 75 N -3.49 0.07 0.00 2.29 1.04 -0.08 -3.47 113.70 110.05 2k4k s SER 75 Ca 0.36 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.48 2k4k s SER 75 Cb 0.08 0.20 0.00 0.00 0.10 0.00 0.00 66.02 66.40 2k4k s SER 75 CO 0.15 -0.40 0.00 -0.38 0.98 0.00 0.00 173.24 173.60 2k4k n ILE 76 N 1.31 0.00 0.08 -1.02 2.08 -0.05 -1.62 119.36 120.14 2k4k n ILE 76 Ca -0.22 0.00 0.16 0.00 0.56 0.00 0.00 62.75 63.25 2k4k n ILE 76 Cb 0.56 -0.77 0.68 0.00 -0.75 0.00 0.00 39.64 39.37 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 0.63 0.38 0.11 -0.88 0.69 114.38 115.31 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 0.78 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.87 2k4k h ARG 77 CO 0.00 0.00 -0.30 0.00 0.10 0.00 0.00 179.97 179.77 2k4k h ALA 78 N 1.81 -0.84 -0.01 0.08 0.00 -1.82 -3.09 119.26 115.39 2k4k h ALA 78 Ca 0.17 -0.19 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 2k4k h ALA 78 Cb 0.70 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 2k4k h ALA 78 CO -0.00 -0.97 -0.76 1.79 0.00 0.00 0.00 179.25 179.30 2k4k h THR 79 N -0.85 1.50 0.00 0.00 1.35 -1.46 -1.80 112.91 111.65 2k4k h THR 79 Ca -0.09 -2.48 0.00 0.00 -0.55 0.00 0.00 66.41 63.30 2k4k h THR 79 Cb 0.65 2.34 0.00 0.00 -1.73 0.00 0.00 68.15 69.41 2k4k h THR 79 CO 0.14 0.72 0.00 0.00 -0.25 0.00 0.00 175.52 176.13 2k4k n GLN 80 N -3.69 0.14 -0.91 4.72 6.02 0.11 -2.10 117.38 121.66 2k4k n GLN 80 Ca -0.02 0.58 0.05 0.00 -0.01 0.00 0.00 57.00 57.60 2k4k n GLN 80 Cb 0.73 -1.90 0.15 0.00 1.02 0.00 0.00 30.24 30.24 2k4k n GLN 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2k4k n ALA 81 N -1.75 3.31 -1.04 -1.58 0.00 -0.71 -5.07 120.51 113.66 2k4k n ALA 81 Ca -0.01 -3.04 -0.34 0.00 0.00 0.00 0.00 53.44 50.06 2k4k n ALA 81 Cb 0.07 -0.47 0.11 0.00 0.00 0.00 0.00 19.45 19.17 2k4k n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k4k n ALA 82 N -0.64 -1.13 0.24 0.00 0.00 -0.89 -4.89 120.51 113.21 2k4k n ALA 82 Ca 0.16 -0.39 0.18 0.00 0.00 0.00 0.00 53.44 53.38 2k4k n ALA 82 Cb 0.83 -2.03 0.85 0.00 0.00 0.00 0.00 19.45 19.11 2k4k n ALA 82 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2k4k h PRO 83 N -1.00 0.00 -3.50 0.00 0.11 -1.92 -3.41 132.00 122.28 2k4k h PRO 83 Ca -0.45 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.51 2k4k h PRO 83 Cb 1.31 0.00 -0.21 0.00 0.11 0.00 0.00 31.00 32.20 2k4k h PRO 83 CO 0.42 0.00 -0.50 -2.00 -0.21 0.00 0.00 178.00 175.70 2k4k s GLU 84 N -4.37 0.43 0.36 1.05 2.12 -1.26 -5.17 118.70 111.86 2k4k s GLU 84 Ca -0.04 -0.31 -0.08 0.00 0.36 0.00 0.00 54.97 54.90 2k4k s GLU 84 Cb 0.12 0.18 0.02 0.00 0.26 0.00 0.00 34.13 34.72 2k4k s GLU 84 CO 0.43 -0.10 0.60 -1.59 -0.54 0.00 0.00 175.26 174.06 2k4k s LYS 85 N -1.17 2.05 0.22 4.30 -2.85 -1.26 -5.06 119.74 115.97 2k4k s LYS 85 Ca -0.13 -1.63 -0.02 0.00 -1.00 0.00 0.00 55.97 53.19 2k4k s LYS 85 Cb -0.07 0.52 -0.03 0.00 -2.06 0.00 0.00 37.83 36.19 2k4k s LYS 85 CO 0.01 -0.90 0.21 -1.59 0.10 0.00 0.00 175.35 173.18 2k4k s LYS 86 N -2.76 1.32 0.29 1.78 0.00 -1.26 -5.19 119.74 113.93 2k4k s LYS 86 Ca 0.25 -1.61 -0.08 0.00 0.00 0.00 0.00 55.97 54.53 2k4k s LYS 86 Cb -0.02 0.31 -0.00 0.00 0.00 0.00 0.00 37.83 38.11 2k4k s LYS 86 CO 0.17 -0.46 0.46 -1.83 0.00 0.00 0.00 175.35 173.68 2k4k s GLU 87 N -4.04 1.68 -0.06 1.78 -1.05 -1.26 -5.18 118.70 110.57 2k4k s GLU 87 Ca 0.36 -1.49 -0.12 0.00 -0.15 0.00 0.00 54.97 53.57 2k4k s GLU 87 Cb 0.05 0.45 0.02 0.00 -0.44 0.00 0.00 34.13 34.21 2k4k s GLU 87 CO 0.13 -0.69 0.29 -1.54 0.95 0.00 0.00 175.26 174.40 2k4k s SER 88 N -3.12 -0.23 0.58 0.83 1.04 -1.26 -5.16 113.70 106.38 2k4k s SER 88 Ca 0.27 0.30 -0.17 0.00 0.48 0.00 0.00 55.95 56.82 2k4k s SER 88 Cb 0.00 0.45 -0.04 0.00 0.10 0.00 0.00 66.02 66.53 2k4k s SER 88 CO 0.14 -0.28 1.10 -0.54 0.98 0.00 0.00 173.24 174.63 2k4k s LYS 89 N -0.65 3.24 0.69 4.02 3.01 -1.26 -5.01 119.74 123.77 2k4k s LYS 89 Ca -0.08 1.42 -0.15 0.00 -1.01 0.00 0.00 55.97 56.16 2k4k s LYS 89 Cb -0.04 -2.01 0.02 0.00 -1.01 0.00 0.00 37.83 34.79 2k4k s LYS 89 CO 0.02 -0.91 1.14 -1.25 0.51 0.00 0.00 175.35 174.87 2k4k s PRO 90 N -3.69 2.54 -0.03 -1.68 0.04 -1.26 -4.93 135.00 125.97 2k4k s PRO 90 Ca 0.68 1.52 0.20 0.00 0.04 0.00 0.00 61.00 63.44 2k4k s PRO 90 Cb -0.20 -1.91 0.63 0.00 0.04 0.00 0.00 34.50 33.06 2k4k s PRO 90 CO 0.33 -1.48 1.53 0.54 0.04 0.00 0.00 177.00 177.96 2k4k n ARG 91 N -2.56 3.02 -4.06 4.56 5.12 -1.26 -2.54 116.66 118.93 2k4k n ARG 91 Ca 0.11 -2.67 -0.08 0.00 -1.93 0.00 0.00 57.85 53.28 2k4k n ARG 91 Cb 0.51 -1.63 -0.10 0.00 -1.16 0.00 0.00 32.46 30.08 2k4k n ARG 91 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 2k4k s LYS 92 N -1.25 0.54 0.98 5.56 1.02 -1.26 -4.53 119.74 120.80 2k4k s LYS 92 Ca 0.47 -1.02 -0.12 0.00 0.02 0.00 0.00 55.97 55.32 2k4k s LYS 92 Cb 0.26 0.10 0.18 0.00 -0.52 0.00 0.00 37.83 37.85 2k4k s LYS 92 CO 0.29 -0.07 1.09 -1.25 -0.92 0.00 0.00 175.35 174.48 2k4k s PRO 93 N -3.02 0.58 0.08 -1.68 0.04 -1.26 -4.49 135.00 125.24 2k4k s PRO 93 Ca -0.00 0.98 0.01 0.00 0.04 0.00 0.00 61.00 62.03 2k4k s PRO 93 Cb 0.01 -1.72 -0.04 0.00 0.04 0.00 0.00 34.50 32.79 2k4k s PRO 93 CO -0.06 -2.75 -0.06 0.15 0.04 0.00 0.00 177.00 174.32 2k4k s LYS 94 N -4.74 0.76 -0.00 4.56 1.02 -1.26 -5.07 119.74 115.00 2k4k s LYS 94 Ca 0.66 -1.24 0.00 0.00 0.02 0.00 0.00 55.97 55.40 2k4k s LYS 94 Cb -0.21 -0.15 0.00 0.00 -0.52 0.00 0.00 37.83 36.95 2k4k s LYS 94 CO 0.59 -0.02 0.98 0.00 -0.92 0.00 0.00 175.35 175.98 2k4k n ALA 95 N 0.17 1.97 0.67 5.17 0.00 -1.26 -4.88 120.51 122.35 2k4k n ALA 95 Ca -0.14 -0.99 0.09 0.00 0.00 0.00 0.00 53.44 52.40 2k4k n ALA 95 Cb 0.60 -0.48 0.40 0.00 0.00 0.00 0.00 19.45 19.97 2k4k n ALA 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k4k n ALA 96 N -0.00 1.85 -0.72 0.00 0.00 -1.26 -4.85 120.51 115.53 2k4k n ALA 96 Ca 0.00 -0.07 -0.29 0.00 0.00 0.00 0.00 53.44 53.08 2k4k n ALA 96 Cb 0.69 -1.29 0.21 0.00 0.00 0.00 0.00 19.45 19.06 2k4k n ALA 96 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2k4k s GLN 97 N -2.91 0.04 0.20 0.00 -0.21 -1.26 -5.09 119.66 110.43 2k4k s GLN 97 Ca 0.10 1.05 0.00 0.00 0.02 0.00 0.00 55.36 56.53 2k4k s GLN 97 Cb 0.12 -1.65 -0.04 0.00 1.00 0.00 0.00 33.01 32.43 2k4k s GLN 97 CO 0.32 -3.14 0.08 0.14 -2.12 0.00 0.00 175.29 170.57 2k4k s VAL 98 N -2.61 0.33 0.42 1.09 -7.23 -1.26 -5.03 120.40 106.11 2k4k s VAL 98 Ca 0.67 -1.98 0.13 0.00 -1.81 0.00 0.00 61.98 58.99 2k4k s VAL 98 Cb -0.23 -2.37 0.33 0.00 0.56 0.00 0.00 36.38 34.67 2k4k s VAL 98 CO 0.61 -0.19 1.95 0.28 -0.31 0.00 0.00 175.10 177.44 2k4k h SER 99 N 2.61 0.43 0.53 4.85 0.02 -1.98 0.22 113.55 120.23 2k4k h SER 99 Ca -0.37 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 2k4k h SER 99 Cb 1.23 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.69 2k4k h SER 99 CO 0.59 0.25 0.00 -0.62 -1.14 0.00 0.00 176.83 175.91 2k4k n GLU 100 N -4.48 0.01 -1.49 3.45 4.71 -1.26 -3.30 120.64 118.28 2k4k n GLU 100 Ca 0.12 0.24 0.03 0.00 -0.01 0.00 0.00 57.16 57.54 2k4k n GLU 100 Cb 0.41 -1.51 0.01 0.00 -1.01 0.00 0.00 31.44 29.34 2k4k n GLU 100 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 2k4k n GLU 101 N -1.53 0.06 0.00 3.49 2.13 -0.02 -4.94 120.64 119.84 2k4k n GLU 101 Ca 0.04 -1.93 0.00 0.00 0.66 0.00 0.00 57.16 55.93 2k4k n GLU 101 Cb 0.18 0.01 0.00 0.00 0.27 0.00 0.00 31.44 31.90 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 0.40 2.05 -0.42 4.31 0.00 -0.67 -4.49 120.51 121.68 2k4k n ALA 102 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.16 2k4k n ALA 102 Cb 1.09 -1.00 0.28 0.00 0.00 0.00 0.00 19.45 19.82 2k4k n ALA 102 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2k4k s SER 103 N -0.48 -0.74 0.25 0.00 0.01 -1.26 -4.96 113.70 106.51 2k4k s SER 103 Ca 0.00 0.94 -0.30 0.00 1.31 0.00 0.00 55.95 57.90 2k4k s SER 103 Cb 0.00 -1.35 -0.14 0.00 0.21 0.00 0.00 66.02 64.74 2k4k s SER 103 CO 0.00 -5.18 1.18 0.41 0.41 0.00 0.00 173.24 170.06 2k4k n THR 104 N -5.52 1.43 -0.94 1.44 -1.04 -1.26 -4.96 114.28 103.43 2k4k n THR 104 Ca 0.11 -0.36 -0.30 0.00 -2.04 0.00 0.00 64.05 61.46 2k4k n THR 104 Cb 0.59 -1.13 0.15 0.00 -1.82 0.00 0.00 70.33 68.12 2k4k n THR 104 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2k4k s PRO 105 N -0.98 1.21 0.42 -2.82 0.04 -1.26 -4.93 135.00 126.68 2k4k s PRO 105 Ca 0.65 1.22 0.09 0.00 0.04 0.00 0.00 61.00 63.00 2k4k s PRO 105 Cb -0.72 -1.77 0.90 0.00 0.04 0.00 0.00 34.50 32.95 2k4k s PRO 105 CO 0.55 -2.39 2.05 1.96 0.04 0.00 0.00 177.00 179.21 2k4k h GLN 106 N -1.68 0.42 0.00 4.56 4.20 -2.00 -3.47 115.11 117.15 2k4k h GLN 106 Ca -0.46 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.21 2k4k h GLN 106 Cb 1.27 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.96 2k4k h GLN 106 CO 0.48 0.32 0.00 0.41 -0.67 0.00 0.00 178.83 179.37 2k4k n GLY 107 N -1.38 -0.88 3.76 3.46 0.00 -1.26 -4.95 105.19 103.95 2k4k n GLY 107 Ca 0.02 -1.15 -0.09 0.00 0.00 0.00 0.00 46.02 44.80 2k4k n GLY 107 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2k4k s PHE 108 N -2.00 0.18 0.55 1.61 -0.71 -1.26 -4.67 117.98 111.69 2k4k s PHE 108 Ca 0.00 -0.72 -0.21 0.00 -1.04 0.00 0.00 56.93 54.97 2k4k s PHE 108 Cb 0.00 0.63 -0.05 0.00 -1.21 0.00 0.00 43.02 42.39 2k4k s PHE 108 CO 0.00 -1.38 1.26 1.21 -1.34 0.00 0.00 175.22 174.97 2k4k s ASN 109 N -3.05 5.38 -0.00 1.98 3.84 -1.05 -4.70 114.94 117.33 2k4k s ASN 109 Ca 0.17 2.52 0.00 0.00 0.21 0.00 0.00 52.86 55.76 2k4k s ASN 109 Cb -0.04 -2.61 -0.00 0.00 -0.55 0.00 0.00 41.25 38.04 2k4k s ASN 109 CO 0.11 -1.47 0.01 0.35 -2.79 0.00 0.00 177.10 173.31 2k4k n THR 110 N -1.19 0.00 -2.50 -5.21 -2.24 -1.26 -5.05 114.28 96.83 2k4k n THR 110 Ca 0.11 -0.33 -0.41 0.00 -2.27 0.00 0.00 64.05 61.15 2k4k n THR 110 Cb 0.48 0.83 -0.04 0.00 -2.10 0.00 0.00 70.33 69.50 2k4k n THR 110 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2k4k s LEU 111 N -2.35 4.47 0.22 3.22 1.43 -1.26 -4.95 118.68 119.46 2k4k s LEU 111 Ca 0.00 2.07 -0.05 0.00 -1.03 0.00 0.00 54.13 55.13 2k4k s LEU 111 Cb 0.00 -3.60 0.20 0.00 0.03 0.00 0.00 46.19 42.83 2k4k s LEU 111 CO 0.01 -0.26 1.67 0.50 0.23 0.00 0.00 176.35 178.51 2k4k h LYS 112 N 5.36 0.85 -3.66 1.70 3.64 -2.06 -3.45 116.57 118.94 2k4k h LYS 112 Ca -0.44 -0.29 -0.08 0.00 -1.27 0.00 0.00 60.65 58.57 2k4k h LYS 112 Cb 1.21 -0.07 -0.14 0.00 -0.41 0.00 0.00 32.23 32.82 2k4k h LYS 112 CO 0.74 0.92 -0.31 0.34 -2.27 0.00 0.00 179.45 178.86 2k4k s ASP 113 N -6.68 0.03 0.30 4.20 2.15 -1.26 -5.14 116.67 110.26 2k4k s ASP 113 Ca -0.10 -0.52 -0.29 0.00 0.43 0.00 0.00 52.55 52.07 2k4k s ASP 113 Cb 0.14 0.36 -0.13 0.00 -0.30 0.00 0.00 42.92 42.98 2k4k s ASP 113 CO 0.83 -0.72 1.32 0.29 -0.17 0.00 0.00 175.17 176.72 2k4k n LYS 114 N 0.07 2.03 0.00 4.34 5.02 -1.26 -4.88 118.16 123.48 2k4k n LYS 114 Ca -0.16 0.72 0.00 0.00 -2.02 0.00 0.00 58.31 56.85 2k4k n LYS 114 Cb 0.62 -2.31 0.00 0.00 -0.02 0.00 0.00 35.03 33.32 2k4k n LYS 114 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 2k4k n LEU 115 N 1.38 0.00 0.21 -0.35 7.94 -1.26 -4.83 117.00 120.08 2k4k n LEU 115 Ca 0.08 0.00 0.15 0.00 -1.11 0.00 0.00 56.01 55.13 2k4k n LEU 115 Cb 0.34 0.00 0.66 0.00 0.53 0.00 0.00 43.42 44.94 2k4k n LEU 115 CO 0.62 0.00 0.94 -0.33 -1.11 0.00 0.00 177.39 177.51 2k4k h GLU 116 N 0.00 0.00 -4.54 1.96 3.07 -2.01 -3.44 114.58 109.62 2k4k h GLU 116 Ca 0.00 0.00 -0.22 0.00 -0.50 0.00 0.00 59.36 58.64 2k4k h GLU 116 Cb 0.02 0.00 -0.15 0.00 -0.84 0.00 0.00 28.75 27.78 2k4k h GLU 116 CO 0.00 0.00 -0.63 -1.21 -1.40 0.00 0.00 179.01 175.77 2k4k s GLU 117 N -3.56 1.09 0.33 2.33 2.02 -1.26 -5.09 118.70 114.56 2k4k s GLU 117 Ca 0.01 -1.55 0.07 0.00 0.02 0.00 0.00 54.97 53.51 2k4k s GLU 117 Cb 0.09 0.23 -0.03 0.00 0.10 0.00 0.00 34.13 34.52 2k4k s GLU 117 CO 0.42 -0.33 0.26 -1.58 0.02 0.00 0.00 175.26 174.05 2k4k s TRP 118 N -4.09 1.74 -2.00 1.61 0.52 -1.26 -5.02 118.94 110.43 2k4k s TRP 118 Ca 0.32 -1.62 0.12 0.00 0.02 0.00 0.00 56.10 54.95 2k4k s TRP 118 Cb 0.07 -0.75 0.71 0.00 -1.15 0.00 0.00 33.47 32.35 2k4k s TRP 118 CO 0.08 -0.81 1.14 0.44 0.02 0.00 0.00 176.95 177.82 2k4k n ILE 119 N -0.64 0.00 -3.95 2.03 -5.35 -1.26 -4.72 119.36 105.47 2k4k n ILE 119 Ca 0.06 0.00 -0.09 0.00 -0.27 0.00 0.00 62.75 62.45 2k4k n ILE 119 Cb 0.63 -0.77 -0.08 0.00 -1.74 0.00 0.00 39.64 37.68 2k4k n ILE 119 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 2k4k s GLU 120 N -2.00 0.96 0.51 6.28 2.56 -1.26 -5.05 118.70 120.69 2k4k s GLU 120 Ca 0.18 -1.12 0.18 0.00 0.00 0.00 0.00 54.97 54.21 2k4k s GLU 120 Cb 0.08 0.33 1.28 0.00 2.00 0.00 0.00 34.13 37.82 2k4k s GLU 120 CO 0.14 -0.31 2.11 1.98 -0.56 0.00 0.00 175.26 178.62 2k4k h MET 121 N 2.71 0.00 -7.01 4.30 -1.53 -2.03 -3.44 114.93 107.93 2k4k h MET 121 Ca -0.33 0.00 -0.55 0.00 -3.44 0.00 0.00 59.70 55.38 2k4k h MET 121 Cb 1.21 0.00 0.18 0.00 -0.55 0.00 0.00 31.60 32.44 2k4k h MET 121 CO 0.54 0.06 0.09 0.43 0.14 0.00 0.00 176.91 178.17 2k4k n SER 122 N -4.32 0.31 -3.81 1.39 7.64 -1.26 -4.98 113.62 108.59 2k4k n SER 122 Ca -0.03 0.60 -0.12 0.00 1.01 0.00 0.00 58.87 60.32 2k4k n SER 122 Cb 0.15 -1.41 -0.12 0.00 -1.01 0.00 0.00 64.21 61.82 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 -1.85 -0.19 0.06 6.43 2.47 -1.26 -4.62 114.94 115.98 2k4k s ASN 123 Ca 0.71 0.35 -0.06 0.00 0.42 0.00 0.00 52.86 54.27 2k4k s ASN 123 Cb -0.31 0.39 -0.01 0.00 -1.45 0.00 0.00 41.25 39.87 2k4k s ASN 123 CO 0.53 -0.10 0.12 -0.13 -3.72 0.00 0.00 177.10 173.80 2k4k s ARG 124 N -0.05 0.72 0.33 0.43 0.52 -1.26 -5.14 118.95 114.50 2k4k s ARG 124 Ca -0.02 -0.93 -0.29 0.00 -0.52 0.00 0.00 55.73 53.98 2k4k s ARG 124 Cb -0.02 0.28 -0.11 0.00 0.52 0.00 0.00 34.95 35.62 2k4k s ARG 124 CO 0.00 -0.20 1.49 0.21 0.02 0.00 0.00 175.30 176.82 2k4k s LYS 125 N -3.44 4.17 0.58 3.54 2.47 -1.26 -4.89 119.74 120.90 2k4k s LYS 125 Ca 0.02 2.49 0.28 0.00 -1.56 0.00 0.00 55.97 57.21 2k4k s LYS 125 Cb 0.03 -3.02 1.76 0.00 -1.46 0.00 0.00 37.83 35.15 2k4k s LYS 125 CO -0.09 -0.50 2.23 0.22 0.16 0.00 0.00 175.35 177.37 2k4k h ASP 126 N 3.87 0.00 0.00 1.43 3.58 -2.01 -2.87 116.42 120.42 2k4k h ASP 126 Ca -0.49 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.96 2k4k h ASP 126 Cb 1.23 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.28 2k4k h ASP 126 CO 0.71 0.00 0.15 0.25 -2.88 0.00 0.00 179.24 177.47 2k4k h LEU 127 N 0.00 0.00 -2.26 2.28 5.85 -2.04 -2.04 115.31 117.09 2k4k h LEU 127 Ca 0.01 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.76 2k4k h LEU 127 Cb 0.05 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.07 2k4k h LEU 127 CO -0.00 0.00 0.11 0.16 -0.34 0.00 0.00 178.44 178.37 2k4k h ILE 128 N 0.00 0.59 -3.82 4.05 3.07 -1.90 -3.43 117.51 116.07 2k4k h ILE 128 Ca 0.00 0.00 -0.53 0.00 1.55 0.00 0.00 64.86 65.88 2k4k h ILE 128 Cb 0.30 0.91 0.08 0.00 -0.27 0.00 0.00 36.82 37.85 2k4k h ILE 128 CO 0.00 0.00 0.73 -0.54 -1.05 0.00 0.00 178.15 177.29 2k4k s LYS 129 N -4.73 4.23 0.00 0.16 1.02 -0.77 -5.20 119.74 114.45 2k4k s LYS 129 Ca -0.05 2.40 0.00 0.00 0.02 0.00 0.00 55.97 58.34 2k4k s LYS 129 Cb 0.16 -3.03 0.00 0.00 -0.52 0.00 0.00 37.83 34.44 2k4k s LYS 129 CO 0.58 -0.39 0.45 0.36 -0.92 0.00 0.00 175.35 175.43