#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4k s ALA 2 N 0.00 2.52 -0.85 3.04 0.00 -1.26 -4.94 121.76 120.27 2k4k s ALA 2 Ca 0.00 1.18 0.21 0.00 0.00 0.00 0.00 51.96 53.36 2k4k s ALA 2 Cb 0.00 -3.53 0.87 0.00 0.00 0.00 0.00 23.12 20.46 2k4k s ALA 2 CO 0.00 -1.43 1.66 0.00 0.00 0.00 0.00 175.76 176.00 2k4k n ALA 3 N -1.63 1.88 -1.20 0.00 0.00 -1.26 -4.91 120.51 113.40 2k4k n ALA 3 Ca 0.14 -0.03 -0.10 0.00 0.00 0.00 0.00 53.44 53.45 2k4k n ALA 3 Cb 0.48 -1.35 -0.04 0.00 0.00 0.00 0.00 19.45 18.53 2k4k n ALA 3 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2k4k n LYS 4 N -1.77 -1.51 -4.09 0.00 2.85 -1.26 -4.91 118.16 107.47 2k4k n LYS 4 Ca 0.04 0.69 -0.08 0.00 -1.05 0.00 0.00 58.31 57.91 2k4k n LYS 4 Cb 0.25 -4.83 -0.10 0.00 -0.65 0.00 0.00 35.03 29.70 2k4k n LYS 4 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 2k4k s PHE 5 N -1.75 0.58 -0.00 5.58 0.08 -1.26 -5.18 117.98 116.02 2k4k s PHE 5 Ca 0.00 -1.07 -0.03 0.00 0.12 0.00 0.00 56.93 55.95 2k4k s PHE 5 Cb 0.00 -0.38 -0.00 0.00 -0.57 0.00 0.00 43.02 42.06 2k4k s PHE 5 CO 0.00 -0.43 0.05 -1.21 -0.10 0.00 0.00 175.22 173.53 2k4k s GLU 6 N -3.95 0.26 0.39 0.44 2.02 -1.26 -5.01 118.70 111.59 2k4k s GLU 6 Ca 0.11 -0.28 -0.26 0.00 0.02 0.00 0.00 54.97 54.56 2k4k s GLU 6 Cb 0.08 0.11 -0.11 0.00 0.10 0.00 0.00 34.13 34.30 2k4k s GLU 6 CO -0.07 -0.05 1.23 1.33 0.02 0.00 0.00 175.26 177.72 2k4k n VAL 7 N 2.13 2.32 0.00 2.63 0.24 -1.26 -2.51 118.33 121.87 2k4k n VAL 7 Ca -0.19 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.61 2k4k n VAL 7 Cb 0.57 -1.49 0.00 0.00 -1.47 0.00 0.00 33.84 31.45 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 0.86 2.75 3.64 7.63 0.00 -0.29 -5.01 105.19 114.77 2k4k n GLY 8 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.97 2.60 -0.11 1.61 0.01 -1.04 -4.78 113.70 110.02 2k4k s SER 9 Ca 0.00 1.58 -0.05 0.00 1.31 0.00 0.00 55.95 58.79 2k4k s SER 9 Cb 0.00 -2.24 0.05 0.00 0.21 0.00 0.00 66.02 64.04 2k4k s SER 9 CO 0.00 -3.20 0.24 0.54 0.41 0.00 0.00 173.24 171.23 2k4k s VAL 10 N -2.76 -0.05 0.06 3.43 0.11 -1.26 -0.60 120.40 119.33 2k4k s VAL 10 Ca 0.65 0.15 0.01 0.00 -2.93 0.00 0.00 61.98 59.87 2k4k s VAL 10 Cb -0.21 -0.38 -0.00 0.00 -1.53 0.00 0.00 36.38 34.26 2k4k s VAL 10 CO 0.59 0.06 0.06 -1.22 -3.33 0.00 0.00 175.10 171.27 2k4k n TYR 11 N 4.27 -0.26 -4.35 1.54 4.01 -0.55 -4.99 117.16 116.84 2k4k n TYR 11 Ca -0.25 -0.49 -0.29 0.00 -0.16 0.00 0.00 57.90 56.71 2k4k n TYR 11 Cb 0.53 0.07 -0.12 0.00 -0.31 0.00 0.00 39.34 39.50 2k4k n TYR 11 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2k4k s THR 12 N -2.31 2.60 0.35 -0.72 2.01 -1.26 -0.58 115.64 115.73 2k4k s THR 12 Ca 0.07 -1.66 -0.09 0.00 0.31 0.00 0.00 61.69 60.32 2k4k s THR 12 Cb 0.00 -2.19 0.03 0.00 0.01 0.00 0.00 72.50 70.36 2k4k s THR 12 CO 0.05 0.06 0.61 0.61 -0.69 0.00 0.00 174.62 175.26 2k4k n GLY 13 N 0.74 1.52 2.94 4.40 0.00 -0.08 -4.78 105.19 109.94 2k4k n GLY 13 Ca -0.16 -1.38 -0.26 0.00 0.00 0.00 0.00 46.02 44.22 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 -2.35 1.54 0.10 1.61 2.36 -0.13 -1.02 119.74 121.84 2k4k s LYS 14 Ca 0.20 -0.30 -0.31 0.00 -2.55 0.00 0.00 55.97 53.01 2k4k s LYS 14 Cb -0.03 -1.47 -0.08 0.00 -1.05 0.00 0.00 37.83 35.19 2k4k s LYS 14 CO 0.14 -0.15 1.52 0.08 1.55 0.00 0.00 175.35 178.49 2k4k s VAL 15 N 1.30 3.07 -0.30 4.02 1.01 0.07 -1.25 120.40 128.32 2k4k s VAL 15 Ca -0.03 0.67 0.07 0.00 0.00 0.00 0.00 61.98 62.70 2k4k s VAL 15 Cb -0.14 -3.43 -0.08 0.00 0.00 0.00 0.00 36.38 32.73 2k4k s VAL 15 CO -0.04 0.03 0.28 0.35 0.00 0.00 0.00 175.10 175.73 2k4k n THR 16 N 4.27 0.00 -3.59 3.92 -2.24 0.21 -1.68 114.28 115.16 2k4k n THR 16 Ca 0.14 -0.32 0.01 0.00 -2.27 0.00 0.00 64.05 61.61 2k4k n THR 16 Cb 0.41 0.93 -0.01 0.00 -2.10 0.00 0.00 70.33 69.56 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 -1.79 -0.41 0.10 3.38 0.00 -1.20 -4.93 107.32 102.48 2k4k s GLY 17 Ca 0.02 1.08 0.08 0.00 0.00 0.00 0.00 44.72 45.90 2k4k s GLY 17 CO 0.29 0.26 -0.20 1.08 0.00 0.00 0.00 173.10 174.53 2k4k s LEU 18 N -2.77 2.31 0.11 0.66 1.43 -1.26 -1.13 118.68 118.03 2k4k s LEU 18 Ca 0.14 -0.70 -0.07 0.00 -1.03 0.00 0.00 54.13 52.47 2k4k s LEU 18 Cb 0.05 -0.84 -0.01 0.00 0.03 0.00 0.00 46.19 45.42 2k4k s LEU 18 CO -0.05 0.03 0.18 -1.10 0.23 0.00 0.00 176.35 175.64 2k4k s GLN 19 N -1.98 0.90 0.00 1.70 -0.21 0.47 -4.98 119.66 115.56 2k4k s GLN 19 Ca 0.06 -1.07 0.05 0.00 0.02 0.00 0.00 55.36 54.42 2k4k s GLN 19 Cb -0.10 0.33 0.27 0.00 1.00 0.00 0.00 33.01 34.51 2k4k s GLN 19 CO 0.04 -0.29 0.97 0.00 -2.12 0.00 0.00 175.29 173.90 2k4k n ALA 20 N -0.08 1.47 -0.58 6.09 0.00 -1.26 -2.18 120.51 123.97 2k4k n ALA 20 Ca -0.12 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2k4k n ALA 20 Cb 0.62 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.99 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 -1.25 0.00 0.00 0.00 4.11 -1.26 -4.95 117.16 113.81 2k4k n TYR 21 Ca 0.03 -0.13 0.00 0.00 -0.00 0.00 0.00 57.90 57.80 2k4k n TYR 21 Cb 0.04 -0.01 0.00 0.00 -0.00 0.00 0.00 39.34 39.37 2k4k n TYR 21 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2k4k n GLY 22 N -0.13 -0.82 3.09 -7.48 0.00 -0.93 -0.74 105.19 98.18 2k4k n GLY 22 Ca 0.00 -1.25 -0.25 0.00 0.00 0.00 0.00 46.02 44.53 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 1.34 0.26 4.61 0.00 0.21 -0.40 121.76 125.78 2k4k s ALA 23 Ca 0.00 -0.58 -0.29 0.00 0.00 0.00 0.00 51.96 51.09 2k4k s ALA 23 Cb 0.00 -0.46 -0.09 0.00 0.00 0.00 0.00 23.12 22.57 2k4k s ALA 23 CO 0.00 0.23 0.93 -0.06 0.00 0.00 0.00 175.76 176.86 2k4k s PHE 24 N 0.12 3.90 -0.15 0.00 0.08 -0.28 -1.41 117.98 120.23 2k4k s PHE 24 Ca -0.04 1.86 -0.03 0.00 0.12 0.00 0.00 56.93 58.84 2k4k s PHE 24 Cb -0.11 -2.95 0.05 0.00 -0.57 0.00 0.00 43.02 39.44 2k4k s PHE 24 CO 0.02 0.39 0.04 0.08 -0.10 0.00 0.00 175.22 175.65 2k4k s VAL 25 N -1.31 0.29 0.44 -0.44 1.01 -0.11 -0.62 120.40 119.66 2k4k s VAL 25 Ca 0.43 -0.24 -0.24 0.00 0.00 0.00 0.00 61.98 61.93 2k4k s VAL 25 Cb -0.24 -0.75 -0.08 0.00 0.00 0.00 0.00 36.38 35.32 2k4k s VAL 25 CO 0.29 -0.10 1.23 0.00 0.00 0.00 0.00 175.10 176.52 2k4k s ALA 26 N 1.98 3.07 0.00 5.51 0.00 -0.38 -1.22 121.76 130.72 2k4k s ALA 26 Ca 0.01 1.08 0.00 0.00 0.00 0.00 0.00 51.96 53.05 2k4k s ALA 26 Cb -0.15 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.53 2k4k s ALA 26 CO -0.07 -0.77 0.00 1.28 0.00 0.00 0.00 175.76 176.19 2k4k n LEU 27 N -0.27 0.00 -3.58 0.00 4.77 0.05 -0.96 117.00 117.02 2k4k n LEU 27 Ca 0.06 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.94 2k4k n LEU 27 Cb 0.46 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.53 2k4k n LEU 27 CO 0.51 0.00 0.44 -0.62 -1.33 0.00 0.00 177.39 176.39 2k4k s ASP 28 N -2.71 -0.45 0.39 -1.43 2.15 -0.90 -4.82 116.67 108.90 2k4k s ASP 28 Ca 0.00 -0.21 0.21 0.00 0.43 0.00 0.00 52.55 52.98 2k4k s ASP 28 Cb 0.00 0.64 1.16 0.00 -0.30 0.00 0.00 42.92 44.42 2k4k s ASP 28 CO 0.00 -1.09 1.62 -0.33 -0.17 0.00 0.00 175.17 175.20 2k4k h GLU 29 N 2.00 0.00 0.00 4.34 5.08 -2.04 -2.05 114.58 121.91 2k4k h GLU 29 Ca -0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 2k4k h GLU 29 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 2k4k h GLU 29 CO 0.33 0.00 -0.31 -0.85 -1.00 0.00 0.00 179.01 177.17 2k4k n GLU 30 N -2.32 0.21 -3.88 2.33 0.28 -1.26 -5.10 120.64 110.90 2k4k n GLU 30 Ca -0.01 -1.01 -0.12 0.00 -0.16 0.00 0.00 57.16 55.86 2k4k n GLU 30 Cb 0.19 -0.60 -0.14 0.00 1.43 0.00 0.00 31.44 32.32 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 -0.27 0.01 0.05 3.84 2.01 -0.77 -5.10 115.64 115.41 2k4k s THR 31 Ca 0.03 -0.11 -0.21 0.00 0.31 0.00 0.00 61.69 61.71 2k4k s THR 31 Cb 0.02 -0.06 0.05 0.00 0.01 0.00 0.00 72.50 72.52 2k4k s THR 31 CO 0.00 -0.06 0.49 -1.58 -0.69 0.00 0.00 174.62 172.78 2k4k s GLN 32 N -0.17 1.00 0.35 4.92 -0.44 -1.26 -0.77 119.66 123.29 2k4k s GLN 32 Ca -0.02 -0.28 0.04 0.00 -2.50 0.00 0.00 55.36 52.61 2k4k s GLN 32 Cb -0.01 0.45 -0.02 0.00 -1.64 0.00 0.00 33.01 31.80 2k4k s GLN 32 CO -0.00 -0.36 0.37 0.20 0.50 0.00 0.00 175.29 176.00 2k4k s GLY 33 N -1.99 2.10 -0.27 2.59 0.00 -0.36 -4.31 107.32 105.08 2k4k s GLY 33 Ca -0.05 -1.91 -0.01 0.00 0.00 0.00 0.00 44.72 42.75 2k4k s GLY 33 CO -0.02 -1.31 0.06 -2.27 0.00 0.00 0.00 173.10 169.56 2k4k s LEU 34 N -3.34 2.21 -0.22 0.66 2.96 -0.58 -0.94 118.68 119.43 2k4k s LEU 34 Ca 0.37 -1.41 -0.29 0.00 -0.22 0.00 0.00 54.13 52.58 2k4k s LEU 34 Cb 0.01 -0.90 -0.03 0.00 0.50 0.00 0.00 46.19 45.77 2k4k s LEU 34 CO 0.26 -0.36 1.65 0.54 -1.32 0.00 0.00 176.35 177.12 2k4k s VAL 35 N 1.59 3.65 0.57 1.68 0.11 -0.50 -1.87 120.40 125.62 2k4k s VAL 35 Ca 0.05 0.72 -0.18 0.00 -2.93 0.00 0.00 61.98 59.64 2k4k s VAL 35 Cb -0.18 -3.67 -0.05 0.00 -1.53 0.00 0.00 36.38 30.96 2k4k s VAL 35 CO -0.17 -0.29 1.12 -1.00 -3.33 0.00 0.00 175.10 171.43 2k4k s HIS 36 N 5.36 2.68 0.34 1.54 0.09 -1.25 -0.62 115.29 123.43 2k4k s HIS 36 Ca 0.73 1.55 0.06 0.00 -0.00 0.00 0.00 55.06 57.40 2k4k s HIS 36 Cb -0.25 -3.25 0.72 0.00 -0.00 0.00 0.00 32.58 29.80 2k4k s HIS 36 CO 0.30 -1.55 1.90 0.97 -0.00 0.00 0.00 174.74 176.36 2k4k h ILE 37 N 0.95 0.94 0.00 0.60 2.10 -1.27 0.70 117.51 121.53 2k4k h ILE 37 Ca -0.49 -0.27 0.00 0.00 1.08 0.00 0.00 64.86 65.17 2k4k h ILE 37 Cb 1.26 0.07 0.00 0.00 -1.09 0.00 0.00 36.82 37.05 2k4k h ILE 37 CO 0.56 0.15 0.00 -1.20 -1.08 0.00 0.00 178.15 176.58 2k4k n SER 38 N -4.53 0.00 0.00 2.19 7.64 -1.26 -2.11 113.62 115.55 2k4k n SER 38 Ca 0.15 0.05 0.00 0.00 1.01 0.00 0.00 58.87 60.07 2k4k n SER 38 Cb 0.34 -0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 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 -1.23 -0.91 -0.09 1.43 -0.58 0.22 -4.68 120.64 114.80 2k4k n GLU 39 Ca 0.06 -0.47 -0.13 0.00 -0.42 0.00 0.00 57.16 56.20 2k4k n GLU 39 Cb 0.08 -0.97 -0.05 0.00 -0.57 0.00 0.00 31.44 29.93 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 0.06 1.31 -3.27 2.62 2.07 -1.22 0.57 116.25 118.39 2k4k h VAL 40 Ca 0.00 -1.45 -0.15 0.00 0.82 0.00 0.00 66.70 65.92 2k4k h VAL 40 Cb 0.03 1.63 -0.23 0.00 -1.52 0.00 0.00 31.29 31.20 2k4k h VAL 40 CO 0.00 0.46 -0.42 -0.89 0.02 0.00 0.00 177.57 176.74 2k4k s THR 41 N -4.34 0.04 -0.51 2.57 2.01 -1.26 -2.12 115.64 112.03 2k4k s THR 41 Ca -0.13 -0.36 -0.06 0.00 0.31 0.00 0.00 61.69 61.45 2k4k s THR 41 Cb 0.08 -0.43 -0.17 0.00 0.01 0.00 0.00 72.50 71.99 2k4k s THR 41 CO 0.82 -0.20 2.98 0.00 -0.69 0.00 0.00 174.62 177.54 2k4k n HIS 42 N 2.01 0.76 -4.01 4.92 1.44 -1.26 -4.76 115.22 114.33 2k4k n HIS 42 Ca -0.18 -1.81 0.02 0.00 -2.01 0.00 0.00 57.72 53.74 2k4k n HIS 42 Cb 0.57 -1.72 0.00 0.00 0.12 0.00 0.00 29.99 28.97 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 2.97 0.28 3.68 -1.39 0.00 -1.26 -5.15 105.19 104.32 2k4k n GLY 43 Ca 0.48 -0.88 -0.35 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.37 1.27 -3.78 1.61 3.72 -1.26 -5.02 117.46 113.62 2k4k n PHE 44 Ca 0.03 0.41 -0.30 0.00 -0.05 0.00 0.00 57.45 57.53 2k4k n PHE 44 Cb 0.22 -2.14 -0.14 0.00 -0.94 0.00 0.00 39.48 36.48 2k4k n PHE 44 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2k4k s VAL 45 N -1.85 1.39 0.18 -4.37 1.01 -1.26 -4.95 120.40 110.54 2k4k s VAL 45 Ca 0.76 -2.10 -0.14 0.00 0.00 0.00 0.00 61.98 60.50 2k4k s VAL 45 Cb -0.33 -2.01 0.10 0.00 0.00 0.00 0.00 36.38 34.15 2k4k s VAL 45 CO 0.48 -0.76 1.71 0.11 0.00 0.00 0.00 175.10 176.64 2k4k h LYS 46 N 7.40 0.19 -2.36 2.72 1.79 -1.97 -3.43 116.57 120.91 2k4k h LYS 46 Ca -0.07 -0.01 -0.08 0.00 -2.18 0.00 0.00 60.65 58.31 2k4k h LYS 46 Cb 0.97 -0.04 -0.21 0.00 -1.58 0.00 0.00 32.23 31.37 2k4k h LYS 46 CO 0.49 0.12 -0.01 0.34 -1.08 0.00 0.00 179.45 179.32 2k4k s ASP 47 N -5.29 -0.54 0.38 0.86 2.15 -1.26 -5.08 116.67 107.89 2k4k s ASP 47 Ca -0.13 0.80 0.05 0.00 0.43 0.00 0.00 52.55 53.69 2k4k s ASP 47 Cb 0.15 0.79 0.74 0.00 -0.30 0.00 0.00 42.92 44.30 2k4k s ASP 47 CO 0.72 -0.39 2.03 -0.29 -0.17 0.00 0.00 175.17 177.07 2k4k h ILE 48 N 3.73 1.14 0.00 4.11 2.10 -1.90 -2.05 117.51 124.64 2k4k h ILE 48 Ca -0.28 -0.27 0.00 0.00 1.08 0.00 0.00 64.86 65.39 2k4k h ILE 48 Cb 1.16 0.41 0.00 0.00 -1.09 0.00 0.00 36.82 37.30 2k4k h ILE 48 CO 0.28 0.14 0.00 -0.55 -1.08 0.00 0.00 178.15 176.93 2k4k h ASN 49 N 0.69 0.00 0.40 2.19 7.08 -1.96 0.11 115.58 124.09 2k4k h ASN 49 Ca 0.18 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.40 2k4k h ASN 49 Cb -0.06 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.18 2k4k h ASN 49 CO -0.04 0.00 -0.10 -0.62 -2.08 0.00 0.00 177.43 174.59 2k4k n GLU 50 N -2.64 0.63 0.00 4.14 -0.58 -0.77 -4.27 120.64 117.14 2k4k n GLU 50 Ca -0.00 -0.19 0.00 0.00 -0.42 0.00 0.00 57.16 56.55 2k4k n GLU 50 Cb 0.16 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.54 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 -1.02 0.00 -4.07 -0.32 8.25 -0.35 -5.03 115.22 112.68 2k4k n HIS 51 Ca 0.14 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.47 2k4k n HIS 51 Cb 0.27 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.33 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 -0.92 0.83 -0.15 2.41 2.96 0.24 -4.95 118.68 119.11 2k4k s LEU 52 Ca 0.00 -1.33 -0.07 0.00 -0.22 0.00 0.00 54.13 52.51 2k4k s LEU 52 Cb 0.00 1.46 0.06 0.00 0.50 0.00 0.00 46.19 48.21 2k4k s LEU 52 CO 0.00 -1.22 0.34 -0.44 -1.32 0.00 0.00 176.35 173.71 2k4k s SER 53 N -3.17 -0.33 0.58 3.68 0.01 -1.26 -4.16 113.70 109.05 2k4k s SER 53 Ca 0.29 0.74 -0.20 0.00 1.31 0.00 0.00 55.95 58.10 2k4k s SER 53 Cb 0.00 0.68 -0.04 0.00 0.21 0.00 0.00 66.02 66.88 2k4k s SER 53 CO 0.16 -0.19 1.28 0.54 0.41 0.00 0.00 173.24 175.44 2k4k s VAL 54 N 1.54 2.33 -0.70 3.43 0.11 -1.26 -3.60 120.40 122.25 2k4k s VAL 54 Ca -0.08 0.22 -0.01 0.00 -2.93 0.00 0.00 61.98 59.18 2k4k s VAL 54 Cb -0.10 -3.10 0.00 0.00 -1.53 0.00 0.00 36.38 31.65 2k4k s VAL 54 CO -0.11 -0.03 0.16 0.61 -3.33 0.00 0.00 175.10 172.40 2k4k n GLY 55 N 0.68 0.10 3.39 6.54 0.00 -0.68 -5.00 105.19 110.23 2k4k n GLY 55 Ca 0.13 -0.44 -0.20 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.76 2.57 -0.19 1.61 2.15 -1.24 -4.95 116.67 113.86 2k4k s ASP 56 Ca 0.08 -1.14 -0.03 0.00 0.43 0.00 0.00 52.55 51.88 2k4k s ASP 56 Cb -0.03 -0.13 -0.02 0.00 -0.30 0.00 0.00 42.92 42.44 2k4k s ASP 56 CO 0.10 -0.31 -0.05 -0.70 -0.17 0.00 0.00 175.17 174.03 2k4k s GLU 57 N -3.72 3.46 0.02 4.34 2.12 -1.26 -0.75 118.70 122.91 2k4k s GLU 57 Ca 0.27 -0.60 0.01 0.00 0.36 0.00 0.00 54.97 55.01 2k4k s GLU 57 Cb 0.03 -2.93 -0.02 0.00 0.26 0.00 0.00 34.13 31.48 2k4k s GLU 57 CO 0.10 -0.01 -0.05 0.14 -0.54 0.00 0.00 175.26 174.90 2k4k s VAL 58 N 0.99 0.36 0.12 3.70 -7.23 -0.19 -4.98 120.40 113.16 2k4k s VAL 58 Ca 0.00 -0.71 -0.26 0.00 -1.81 0.00 0.00 61.98 59.20 2k4k s VAL 58 Cb -0.15 -0.40 -0.07 0.00 0.56 0.00 0.00 36.38 36.32 2k4k s VAL 58 CO 0.00 -0.24 0.80 -1.10 -0.31 0.00 0.00 175.10 174.26 2k4k s GLN 59 N -1.02 4.57 -0.04 4.82 1.11 -1.26 -0.90 119.66 126.94 2k4k s GLN 59 Ca -0.07 1.18 0.01 0.00 0.01 0.00 0.00 55.36 56.48 2k4k s GLN 59 Cb -0.07 -3.31 0.02 0.00 -1.01 0.00 0.00 33.01 28.64 2k4k s GLN 59 CO -0.00 0.42 -0.04 0.14 0.01 0.00 0.00 175.29 175.82 2k4k s VAL 60 N -0.62 0.48 -0.01 1.09 -7.23 0.25 -4.77 120.40 109.60 2k4k s VAL 60 Ca 0.38 -0.09 -0.22 0.00 -1.81 0.00 0.00 61.98 60.24 2k4k s VAL 60 Cb -0.22 -0.52 -0.05 0.00 0.56 0.00 0.00 36.38 36.15 2k4k s VAL 60 CO 0.26 0.21 0.64 -0.75 -0.31 0.00 0.00 175.10 175.15 2k4k s LYS 61 N 0.93 4.38 -0.18 4.82 2.20 -0.72 -1.48 119.74 129.70 2k4k s LYS 61 Ca -0.11 0.81 -0.29 0.00 -0.36 0.00 0.00 55.97 56.02 2k4k s LYS 61 Cb -0.14 -3.37 -0.03 0.00 -1.51 0.00 0.00 37.83 32.77 2k4k s LYS 61 CO -0.00 0.28 1.67 0.08 -0.36 0.00 0.00 175.35 177.02 2k4k s VAL 62 N 0.07 3.62 -0.19 4.02 1.01 0.23 -1.21 120.40 127.95 2k4k s VAL 62 Ca 0.34 0.70 0.01 0.00 0.00 0.00 0.00 61.98 63.03 2k4k s VAL 62 Cb -0.18 -3.60 -0.22 0.00 0.00 0.00 0.00 36.38 32.38 2k4k s VAL 62 CO 0.18 -0.22 0.08 -0.11 0.00 0.00 0.00 175.10 175.03 2k4k n LEU 63 N 8.35 2.47 -3.64 3.92 7.94 -0.03 -1.14 117.00 134.87 2k4k n LEU 63 Ca 0.19 0.04 -0.11 0.00 -1.11 0.00 0.00 56.01 55.02 2k4k n LEU 63 Cb 0.45 -0.80 -0.05 0.00 0.53 0.00 0.00 43.42 43.54 2k4k n LEU 63 CO 0.64 0.84 0.16 0.00 -1.11 0.00 0.00 177.39 177.92 2k4k s ALA 64 N -2.54 -0.94 -0.01 1.96 0.00 -0.86 -4.78 121.76 114.60 2k4k s ALA 64 Ca -0.26 0.01 -0.01 0.00 0.00 0.00 0.00 51.96 51.70 2k4k s ALA 64 Cb 0.08 0.63 -0.00 0.00 0.00 0.00 0.00 23.12 23.83 2k4k s ALA 64 CO 0.70 -0.61 0.02 0.08 0.00 0.00 0.00 175.76 175.95 2k4k s VAL 65 N -3.58 0.02 -0.23 0.00 1.01 -1.26 -0.80 120.40 115.55 2k4k s VAL 65 Ca 0.02 -0.14 -0.04 0.00 0.00 0.00 0.00 61.98 61.81 2k4k s VAL 65 Cb 0.01 -0.09 0.08 0.00 0.00 0.00 0.00 36.38 36.38 2k4k s VAL 65 CO -0.10 -0.08 0.11 -0.62 0.00 0.00 0.00 175.10 174.40 2k4k s ASP 66 N -0.22 2.99 0.18 3.32 -1.08 -0.27 -4.99 116.67 116.60 2k4k s ASP 66 Ca -0.03 -0.97 0.26 0.00 -0.52 0.00 0.00 52.55 51.29 2k4k s ASP 66 Cb -0.02 -0.34 0.88 0.00 -1.46 0.00 0.00 42.92 41.99 2k4k s ASP 66 CO -0.00 -0.39 1.79 -0.62 0.52 0.00 0.00 175.17 176.47 2k4k n GLU 67 N 5.24 0.22 0.02 4.34 1.02 -1.26 -0.84 120.64 129.37 2k4k n GLU 67 Ca -0.06 0.20 -0.18 0.00 -0.02 0.00 0.00 57.16 57.09 2k4k n GLU 67 Cb 0.45 -1.76 -0.13 0.00 -0.02 0.00 0.00 31.44 29.98 2k4k n GLU 67 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2k4k h GLU 68 N 0.00 0.31 0.00 3.49 5.08 -1.96 -3.16 114.58 118.35 2k4k h GLU 68 Ca 0.00 -0.44 -0.06 0.00 -1.00 0.00 0.00 59.36 57.86 2k4k h GLU 68 Cb 0.67 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 2k4k h GLU 68 CO 0.00 1.16 -0.30 0.87 -1.00 0.00 0.00 179.01 179.73 2k4k h LYS 69 N -0.32 0.00 -4.16 2.33 1.57 -2.00 -3.47 116.57 110.52 2k4k h LYS 69 Ca -0.10 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.47 2k4k h LYS 69 Cb 1.44 0.00 0.10 0.00 0.08 0.00 0.00 32.23 33.85 2k4k h LYS 69 CO 0.12 0.30 -0.46 0.41 -0.57 0.00 0.00 179.45 179.26 2k4k n GLY 70 N -0.53 -0.03 3.19 3.86 0.00 -0.02 -5.05 105.19 106.61 2k4k n GLY 70 Ca -0.02 -0.12 -0.13 0.00 0.00 0.00 0.00 46.02 45.75 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 -5.01 0.90 -0.02 1.61 -0.14 -0.12 -5.01 119.74 111.95 2k4k s LYS 71 Ca 0.07 -1.31 -0.01 0.00 -1.36 0.00 0.00 55.97 53.36 2k4k s LYS 71 Cb -0.03 -0.43 0.01 0.00 -1.68 0.00 0.00 37.83 35.70 2k4k s LYS 71 CO 0.44 0.04 0.04 0.42 -0.76 0.00 0.00 175.35 175.53 2k4k s ILE 72 N -3.16 -0.02 0.09 2.17 1.01 -1.26 -1.11 121.20 118.93 2k4k s ILE 72 Ca 0.11 0.06 0.05 0.00 0.00 0.00 0.00 60.65 60.87 2k4k s ILE 72 Cb 0.02 -0.07 -0.04 0.00 0.01 0.00 0.00 42.46 42.38 2k4k s ILE 72 CO -0.02 0.02 -0.02 -0.44 0.00 0.00 0.00 174.94 174.49 2k4k s SER 73 N 0.31 4.92 0.25 3.58 0.01 0.02 -1.53 113.70 121.27 2k4k s SER 73 Ca -0.02 -0.21 0.03 0.00 1.31 0.00 0.00 55.95 57.05 2k4k s SER 73 Cb -0.04 -1.14 -0.05 0.00 0.21 0.00 0.00 66.02 65.01 2k4k s SER 73 CO -0.01 0.17 0.04 -0.76 0.41 0.00 0.00 173.24 173.10 2k4k s LEU 74 N -2.31 1.98 0.02 2.44 1.43 -0.78 -0.85 118.68 120.62 2k4k s LEU 74 Ca 0.25 -1.30 0.02 0.00 -1.03 0.00 0.00 54.13 52.07 2k4k s LEU 74 Cb -0.12 -0.16 -0.02 0.00 0.03 0.00 0.00 46.19 45.93 2k4k s LEU 74 CO 0.18 -0.61 -0.06 -0.94 0.23 0.00 0.00 176.35 175.14 2k4k s SER 75 N -3.32 0.63 -0.02 2.29 1.04 -0.35 -3.93 113.70 110.03 2k4k s SER 75 Ca 0.33 -0.37 0.05 0.00 0.48 0.00 0.00 55.95 56.43 2k4k s SER 75 Cb 0.07 0.01 -0.07 0.00 0.10 0.00 0.00 66.02 66.13 2k4k s SER 75 CO 0.11 -0.13 0.08 -0.38 0.98 0.00 0.00 173.24 173.90 2k4k n ILE 76 N 2.02 0.11 0.22 -1.02 2.08 -0.05 -1.75 119.36 120.97 2k4k n ILE 76 Ca -0.19 -0.14 0.15 0.00 0.56 0.00 0.00 62.75 63.12 2k4k n ILE 76 Cb 0.56 -0.03 0.81 0.00 -0.75 0.00 0.00 39.64 40.23 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 -0.44 0.81 114.38 115.24 2k4k h ARG 77 Ca -0.04 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 59.95 2k4k h ARG 77 Cb 0.58 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.65 2k4k h ARG 77 CO 0.00 0.00 -0.40 0.00 0.10 0.00 0.00 179.97 179.67 2k4k h ALA 78 N 1.87 1.10 0.00 0.08 0.00 -1.83 -3.37 119.26 117.12 2k4k h ALA 78 Ca 0.06 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.54 2k4k h ALA 78 Cb 0.32 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2k4k h ALA 78 CO -0.00 0.50 -1.69 0.25 0.00 0.00 0.00 179.25 178.31 2k4k n THR 79 N -3.72 0.25 -0.87 0.00 -2.24 0.08 -4.98 114.28 102.80 2k4k n THR 79 Ca -0.01 -0.37 -0.29 0.00 -2.27 0.00 0.00 64.05 61.11 2k4k n THR 79 Cb 0.48 -0.06 0.20 0.00 -2.10 0.00 0.00 70.33 68.85 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 -2.75 0.11 -1.55 -0.78 -0.21 -0.05 -4.07 119.66 110.36 2k4k s GLN 80 Ca -0.05 0.83 -0.13 0.00 0.02 0.00 0.00 55.36 56.03 2k4k s GLN 80 Cb 0.07 -1.68 0.09 0.00 1.00 0.00 0.00 33.01 32.50 2k4k s GLN 80 CO 0.55 -3.03 0.85 0.00 -2.12 0.00 0.00 175.29 171.54 2k4k n ALA 81 N -4.43 -1.41 -2.63 6.09 0.00 -1.26 -4.98 120.51 111.90 2k4k n ALA 81 Ca 0.05 0.06 -0.09 0.00 0.00 0.00 0.00 53.44 53.46 2k4k n ALA 81 Cb 0.55 -3.68 -0.07 0.00 0.00 0.00 0.00 19.45 16.25 2k4k n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k4k s ALA 82 N -3.39 -0.22 0.88 0.00 0.00 -1.26 -4.56 121.76 113.20 2k4k s ALA 82 Ca 0.57 -0.64 -0.13 0.00 0.00 0.00 0.00 51.96 51.76 2k4k s ALA 82 Cb -0.29 0.59 0.04 0.00 0.00 0.00 0.00 23.12 23.46 2k4k s ALA 82 CO 0.86 -0.55 0.63 -2.30 0.00 0.00 0.00 175.76 174.41 2k4k n PRO 83 N -0.11 -0.11 -3.65 0.00 -0.02 -1.09 -4.55 135.00 125.47 2k4k n PRO 83 Ca -0.13 0.02 -0.27 0.00 -2.02 0.00 0.00 63.50 61.10 2k4k n PRO 83 Cb 0.63 -2.00 -0.16 0.00 -0.02 0.00 0.00 33.50 31.95 2k4k n PRO 83 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2k4k s GLU 84 N -3.63 0.32 0.51 -0.52 2.02 -1.26 -5.02 118.70 111.11 2k4k s GLU 84 Ca 0.62 -0.34 0.19 0.00 0.02 0.00 0.00 54.97 55.47 2k4k s GLU 84 Cb -0.26 -1.82 1.28 0.00 0.10 0.00 0.00 34.13 33.44 2k4k s GLU 84 CO 0.62 -0.74 2.06 -0.22 0.02 0.00 0.00 175.26 177.00 2k4k h LYS 85 N 8.34 0.07 0.00 1.61 3.64 -1.99 -2.01 116.57 126.22 2k4k h LYS 85 Ca -0.16 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 2k4k h LYS 85 Cb 1.11 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.91 2k4k h LYS 85 CO 0.34 0.04 0.00 0.36 -2.27 0.00 0.00 179.45 177.93 2k4k n LYS 86 N -4.46 0.11 -1.43 1.90 2.85 -1.26 -4.82 118.16 111.05 2k4k n LYS 86 Ca 0.04 0.42 -0.33 0.00 -1.05 0.00 0.00 58.31 57.38 2k4k n LYS 86 Cb 0.34 -1.74 0.09 0.00 -0.65 0.00 0.00 35.03 33.06 2k4k n LYS 86 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 2k4k s GLU 87 N -3.23 2.21 -0.00 -1.58 0.41 -0.76 -4.99 118.70 110.76 2k4k s GLU 87 Ca 0.03 1.57 0.00 0.00 -0.41 0.00 0.00 54.97 56.17 2k4k s GLU 87 Cb 0.08 -1.86 0.00 0.00 -1.78 0.00 0.00 34.13 30.57 2k4k s GLU 87 CO 0.29 -1.74 0.86 0.43 -0.49 0.00 0.00 175.26 174.60 2k4k n SER 88 N -2.88 0.05 -4.08 -0.19 7.64 -1.26 -5.09 113.62 107.81 2k4k n SER 88 Ca 0.12 -1.73 -0.08 0.00 1.01 0.00 0.00 58.87 58.19 2k4k n SER 88 Cb 0.51 -0.14 -0.10 0.00 -1.01 0.00 0.00 64.21 63.47 2k4k n SER 88 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2k4k s LYS 89 N -0.05 0.74 0.72 1.43 1.02 -1.26 -5.15 119.74 117.18 2k4k s LYS 89 Ca 0.01 -1.25 -0.16 0.00 0.02 0.00 0.00 55.97 54.58 2k4k s LYS 89 Cb 0.00 0.24 -0.05 0.00 -0.52 0.00 0.00 37.83 37.51 2k4k s LYS 89 CO 0.00 -0.18 0.48 -2.30 -0.92 0.00 0.00 175.35 172.44 2k4k n PRO 90 N 0.03 0.29 -3.67 -1.68 -0.02 -1.26 -5.04 135.00 123.64 2k4k n PRO 90 Ca -0.12 0.14 -0.14 0.00 -2.02 0.00 0.00 63.50 61.36 2k4k n PRO 90 Cb 0.62 -1.78 -0.08 0.00 -0.02 0.00 0.00 33.50 32.23 2k4k n PRO 90 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2k4k s ARG 91 N -2.67 0.71 0.51 -0.52 3.52 -1.26 -5.16 118.95 114.09 2k4k s ARG 91 Ca 0.65 0.51 -0.22 0.00 -0.13 0.00 0.00 55.73 56.54 2k4k s ARG 91 Cb -0.35 0.34 -0.06 0.00 -1.56 0.00 0.00 34.95 33.32 2k4k s ARG 91 CO 0.59 -0.14 1.32 0.15 -0.81 0.00 0.00 175.30 176.41 2k4k s LYS 92 N -0.23 3.36 0.36 5.12 -0.14 -1.26 -4.78 119.74 122.16 2k4k s LYS 92 Ca -0.04 2.14 0.12 0.00 -1.36 0.00 0.00 55.97 56.83 2k4k s LYS 92 Cb -0.03 -2.34 0.91 0.00 -1.68 0.00 0.00 37.83 34.68 2k4k s LYS 92 CO 0.03 -0.99 1.81 -1.35 -0.76 0.00 0.00 175.35 174.09 2k4k h PRO 93 N 1.71 0.58 0.00 -1.68 0.11 -2.02 -0.06 132.00 130.64 2k4k h PRO 93 Ca -0.50 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.57 2k4k h PRO 93 Cb 1.28 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2k4k h PRO 93 CO 0.58 0.38 0.00 1.63 -0.21 0.00 0.00 178.00 180.39 2k4k n LYS 94 N -4.65 0.05 -0.72 1.05 5.02 -1.26 -1.35 118.16 116.30 2k4k n LYS 94 Ca 0.22 0.54 0.03 0.00 -2.02 0.00 0.00 58.31 57.09 2k4k n LYS 94 Cb 0.65 -1.66 0.05 0.00 -0.02 0.00 0.00 35.03 34.05 2k4k n LYS 94 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2k4k n ALA 95 N -1.60 2.31 -2.46 7.82 0.00 -0.10 -4.07 120.51 122.42 2k4k n ALA 95 Ca -0.00 -1.87 0.01 0.00 0.00 0.00 0.00 53.44 51.58 2k4k n ALA 95 Cb 0.02 -0.53 0.01 0.00 0.00 0.00 0.00 19.45 18.95 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 -0.20 2.65 -0.97 0.00 0.00 -0.45 -2.67 120.51 118.85 2k4k n ALA 96 Ca 0.06 -2.07 -0.33 0.00 0.00 0.00 0.00 53.44 51.10 2k4k n ALA 96 Cb 0.82 -0.69 0.13 0.00 0.00 0.00 0.00 19.45 19.71 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 0.22 -0.03 0.00 0.00 3.00 -1.01 -4.82 117.38 114.74 2k4k n GLN 97 Ca -0.00 0.06 0.00 0.00 -0.01 0.00 0.00 57.00 57.05 2k4k n GLN 97 Cb 1.02 -2.28 0.00 0.00 0.00 0.00 0.00 30.24 28.99 2k4k n GLN 97 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.06 178.39 2k4k n VAL 98 N -3.48 0.00 -1.64 5.09 0.24 -1.26 -4.78 118.33 112.50 2k4k n VAL 98 Ca 0.12 -0.32 -0.36 0.00 -2.04 0.00 0.00 64.34 61.73 2k4k n VAL 98 Cb 0.51 1.17 0.08 0.00 -1.47 0.00 0.00 33.84 34.13 2k4k n VAL 98 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2k4k s SER 99 N -0.33 4.45 0.22 -1.34 0.01 -1.26 -5.06 113.70 110.40 2k4k s SER 99 Ca 0.00 2.55 -0.17 0.00 1.31 0.00 0.00 55.95 59.65 2k4k s SER 99 Cb 0.00 -2.61 0.02 0.00 0.21 0.00 0.00 66.02 63.64 2k4k s SER 99 CO 0.00 -2.10 0.54 -1.83 0.41 0.00 0.00 173.24 170.26 2k4k s GLU 100 N -3.53 1.48 -0.05 12.44 -1.05 -1.26 -5.18 118.70 121.56 2k4k s GLU 100 Ca 0.80 -0.98 -0.15 0.00 -0.15 0.00 0.00 54.97 54.49 2k4k s GLU 100 Cb -0.35 0.52 0.03 0.00 -0.44 0.00 0.00 34.13 33.89 2k4k s GLU 100 CO 0.41 -0.64 0.34 -2.00 0.95 0.00 0.00 175.26 174.33 2k4k s GLU 101 N -3.92 0.63 0.25 -4.83 2.12 -1.26 -5.19 118.70 106.50 2k4k s GLU 101 Ca 0.13 0.00 -0.15 0.00 0.36 0.00 0.00 54.97 55.31 2k4k s GLU 101 Cb -0.02 0.28 0.00 0.00 0.26 0.00 0.00 34.13 34.66 2k4k s GLU 101 CO 0.02 -0.16 0.53 0.00 -0.54 0.00 0.00 175.26 175.11 2k4k s ALA 102 N -0.94 -0.47 -1.24 6.30 0.00 -1.26 -5.03 121.76 119.11 2k4k s ALA 102 Ca -0.10 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.13 2k4k s ALA 102 Cb -0.04 1.01 0.00 0.00 0.00 0.00 0.00 23.12 24.09 2k4k s ALA 102 CO 0.04 -0.89 0.47 0.43 0.00 0.00 0.00 175.76 175.81 2k4k n SER 103 N -0.39 0.57 -4.56 0.00 7.64 -1.26 -4.92 113.62 110.70 2k4k n SER 103 Ca -0.02 -1.51 -0.35 0.00 1.01 0.00 0.00 58.87 58.00 2k4k n SER 103 Cb 0.61 -0.29 0.10 0.00 -1.01 0.00 0.00 64.21 63.63 2k4k n SER 103 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2k4k n THR 104 N -0.03 1.72 0.02 0.44 -2.24 -1.26 -4.95 114.28 107.97 2k4k n THR 104 Ca 0.00 -0.29 -0.09 0.00 -2.27 0.00 0.00 64.05 61.40 2k4k n THR 104 Cb 0.14 -0.94 0.07 0.00 -2.10 0.00 0.00 70.33 67.50 2k4k n THR 104 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2k4k h PRO 105 N -0.76 0.51 -1.21 -0.78 0.13 -1.91 -3.43 132.00 124.56 2k4k h PRO 105 Ca -0.46 -0.32 -0.26 0.00 -0.87 0.00 0.00 66.00 64.09 2k4k h PRO 105 Cb 1.32 0.04 -0.10 0.00 0.13 0.00 0.00 31.00 32.38 2k4k h PRO 105 CO 0.43 0.93 -0.24 0.94 -0.23 0.00 0.00 178.00 179.83 2k4k n GLN 106 N -3.95 -1.37 -1.73 0.86 7.27 -1.26 -0.50 117.38 116.70 2k4k n GLN 106 Ca -0.03 0.79 -0.21 0.00 0.07 0.00 0.00 57.00 57.62 2k4k n GLN 106 Cb 0.60 -5.01 -0.08 0.00 2.41 0.00 0.00 30.24 28.16 2k4k n GLN 106 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2k4k n GLY 107 N -0.18 1.61 1.46 1.69 0.00 -1.26 -4.63 105.19 103.87 2k4k n GLY 107 Ca -0.13 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2k4k n GLY 107 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2k4k n PHE 108 N -2.64 -1.37 0.77 1.61 7.35 -0.45 -4.87 117.46 117.86 2k4k n PHE 108 Ca -0.21 0.00 0.09 0.00 -0.76 0.00 0.00 57.45 56.56 2k4k n PHE 108 Cb 0.69 0.36 0.43 0.00 0.35 0.00 0.00 39.48 41.31 2k4k n PHE 108 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 2k4k n ASN 109 N -2.23 0.00 -4.71 -2.13 5.15 0.35 -4.90 115.26 106.79 2k4k n ASN 109 Ca 0.00 0.19 -0.66 0.00 -0.60 0.00 0.00 54.58 53.51 2k4k n ASN 109 Cb 0.00 -0.36 -0.10 0.00 -0.53 0.00 0.00 39.78 38.80 2k4k n ASN 109 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 2k4k n THR 110 N -1.36 0.01 -1.89 -0.44 -1.04 -0.60 -4.78 114.28 104.19 2k4k n THR 110 Ca 0.07 -0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.75 2k4k n THR 110 Cb 0.16 -0.46 0.03 0.00 -1.82 0.00 0.00 70.33 68.25 2k4k n THR 110 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2k4k s LEU 111 N 2.53 3.45 0.55 -4.42 1.43 -1.26 -4.95 118.68 116.02 2k4k s LEU 111 Ca 1.02 1.94 0.32 0.00 -1.03 0.00 0.00 54.13 56.38 2k4k s LEU 111 Cb -1.44 -4.55 1.60 0.00 0.03 0.00 0.00 46.19 41.84 2k4k s LEU 111 CO 0.77 -1.43 2.10 0.07 0.23 0.00 0.00 176.35 178.09 2k4k h LYS 112 N 0.25 0.00 -6.10 1.70 2.10 -1.98 -3.43 116.57 109.11 2k4k h LYS 112 Ca -0.47 0.00 -0.70 0.00 -2.00 0.00 0.00 60.65 57.48 2k4k h LYS 112 Cb 1.24 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.57 2k4k h LYS 112 CO 0.55 0.07 1.15 -3.47 -2.00 0.00 0.00 179.45 175.76 2k4k n ASP 113 N -3.38 2.38 -4.36 7.07 2.03 -1.26 -1.24 116.55 117.78 2k4k n ASP 113 Ca -0.01 0.78 -0.37 0.00 0.52 0.00 0.00 54.79 55.71 2k4k n ASP 113 Cb 0.23 -1.21 -0.06 0.00 -0.72 0.00 0.00 41.12 39.36 2k4k n ASP 113 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2k4k n LYS 114 N 6.78 -1.65 0.00 -0.67 4.81 -1.26 -4.73 118.16 121.43 2k4k n LYS 114 Ca 0.33 0.22 0.00 0.00 -0.87 0.00 0.00 58.31 57.99 2k4k n LYS 114 Cb 0.18 -4.57 0.00 0.00 0.02 0.00 0.00 35.03 30.67 2k4k n LYS 114 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2k4k n LEU 115 N -4.29 0.70 0.22 3.14 7.94 -0.39 -4.77 117.00 119.56 2k4k n LEU 115 Ca -0.03 0.00 0.11 0.00 -1.11 0.00 0.00 56.01 54.98 2k4k n LEU 115 Cb 0.53 0.00 0.42 0.00 0.53 0.00 0.00 43.42 44.91 2k4k n LEU 115 CO 0.90 0.09 0.80 -0.08 -1.11 0.00 0.00 177.39 177.99 2k4k h GLU 116 N 0.00 0.00 -4.68 1.96 4.57 -1.46 -3.45 114.58 111.52 2k4k h GLU 116 Ca 0.00 0.00 -0.33 0.00 -1.18 0.00 0.00 59.36 57.85 2k4k h GLU 116 Cb 0.25 0.00 -0.14 0.00 -0.16 0.00 0.00 28.75 28.70 2k4k h GLU 116 CO 0.00 0.19 -0.55 -1.21 -1.18 0.00 0.00 179.01 176.26 2k4k s GLU 117 N -3.53 1.44 -0.30 1.92 0.41 -1.26 -5.10 118.70 112.27 2k4k s GLU 117 Ca 0.02 -1.77 0.18 0.00 -0.41 0.00 0.00 54.97 52.98 2k4k s GLU 117 Cb 0.09 0.30 0.48 0.00 -1.78 0.00 0.00 34.13 33.22 2k4k s GLU 117 CO 0.63 -0.50 1.07 0.91 -0.49 0.00 0.00 175.26 176.88 2k4k n TRP 118 N -0.41 1.62 -4.40 1.61 8.01 -1.26 -4.15 117.44 118.45 2k4k n TRP 118 Ca 0.04 -2.46 -0.20 0.00 -1.31 0.00 0.00 57.50 53.57 2k4k n TRP 118 Cb 0.64 -0.28 -0.10 0.00 -2.01 0.00 0.00 31.31 29.57 2k4k n TRP 118 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.69 177.64 2k4k s ILE 119 N -3.84 0.70 0.00 -0.99 -4.36 -1.26 -5.08 121.20 106.36 2k4k s ILE 119 Ca 0.32 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.71 2k4k s ILE 119 Cb 0.39 -2.60 0.00 0.00 1.25 0.00 0.00 42.46 41.50 2k4k s ILE 119 CO -0.02 0.00 0.00 -0.62 0.24 0.00 0.00 174.94 174.54 2k4k n GLU 120 N -0.65 0.94 0.21 0.37 -0.58 -1.26 -4.75 120.64 114.93 2k4k n GLU 120 Ca -0.02 0.00 0.14 0.00 -0.42 0.00 0.00 57.16 56.86 2k4k n GLU 120 Cb 0.66 0.00 0.75 0.00 -0.57 0.00 0.00 31.44 32.28 2k4k n GLU 120 CO 0.00 0.00 0.00 0.52 -0.48 0.00 0.00 177.13 177.17 2k4k h MET 121 N 0.00 0.00 -4.75 3.49 2.86 -2.02 -3.43 114.93 111.08 2k4k h MET 121 Ca 0.00 0.00 -0.29 0.00 -2.06 0.00 0.00 59.70 57.35 2k4k h MET 121 Cb 0.00 0.00 -0.15 0.00 0.06 0.00 0.00 31.60 31.51 2k4k h MET 121 CO 0.00 0.00 -0.63 -1.12 1.06 0.00 0.00 176.91 176.22 2k4k s SER 122 N -4.30 0.90 -0.90 1.22 0.01 -1.26 -5.05 113.70 104.32 2k4k s SER 122 Ca -0.03 -1.30 -0.06 0.00 1.31 0.00 0.00 55.95 55.87 2k4k s SER 122 Cb 0.08 0.20 -0.08 0.00 0.21 0.00 0.00 66.02 66.43 2k4k s SER 122 CO 0.25 -0.70 2.37 -3.20 0.41 0.00 0.00 173.24 172.37 2k4k n ASN 123 N -0.31 5.46 -4.71 2.44 5.15 -1.26 -4.87 115.26 117.15 2k4k n ASN 123 Ca -0.02 -2.34 -0.41 0.00 -0.60 0.00 0.00 54.58 51.21 2k4k n ASN 123 Cb 0.65 -1.16 0.01 0.00 -0.53 0.00 0.00 39.78 38.75 2k4k n ASN 123 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 2k4k n ARG 124 N 3.80 1.96 -0.64 1.20 0.63 -1.26 -5.00 116.66 117.35 2k4k n ARG 124 Ca 0.49 0.70 -0.31 0.00 -0.92 0.00 0.00 57.85 57.81 2k4k n ARG 124 Cb 0.24 -2.41 0.18 0.00 0.45 0.00 0.00 32.46 30.92 2k4k n ARG 124 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 2k4k n LYS 125 N 0.00 -0.87 0.00 -0.14 5.02 -1.26 -4.86 118.16 116.05 2k4k n LYS 125 Ca 0.06 -0.19 0.00 0.00 -2.02 0.00 0.00 58.31 56.16 2k4k n LYS 125 Cb 0.40 -2.29 0.00 0.00 -0.02 0.00 0.00 35.03 33.12 2k4k n LYS 125 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2k4k n ASP 126 N -4.16 0.01 -4.70 4.39 2.03 -1.26 -5.04 116.55 107.82 2k4k n ASP 126 Ca 0.10 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.99 2k4k n ASP 126 Cb 0.53 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.90 2k4k n ASP 126 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2k4k s LEU 127 N -4.03 4.34 0.09 -2.67 2.96 -1.26 -5.00 118.68 113.12 2k4k s LEU 127 Ca 0.00 2.26 -0.20 0.00 -0.22 0.00 0.00 54.13 55.96 2k4k s LEU 127 Cb 0.00 -3.57 0.05 0.00 0.50 0.00 0.00 46.19 43.17 2k4k s LEU 127 CO 0.00 -0.73 0.50 -0.51 -1.32 0.00 0.00 176.35 174.29 2k4k s ILE 128 N 1.98 0.04 -0.04 6.68 1.10 -1.26 -5.18 121.20 124.52 2k4k s ILE 128 Ca 0.66 -0.30 -0.08 0.00 -0.51 0.00 0.00 60.65 60.42 2k4k s ILE 128 Cb -0.35 -1.04 0.01 0.00 0.15 0.00 0.00 42.46 41.24 2k4k s ILE 128 CO 0.29 -0.16 0.19 -0.75 -2.11 0.00 0.00 174.94 172.40 2k4k s LYS 129 N -3.11 0.39 0.00 3.50 2.20 -1.26 -5.30 119.74 116.16 2k4k s LYS 129 Ca -0.02 -0.04 0.00 0.00 -0.36 0.00 0.00 55.97 55.55 2k4k s LYS 129 Cb 0.00 0.17 0.00 0.00 -1.51 0.00 0.00 37.83 36.49 2k4k s LYS 129 CO -0.07 -0.08 0.48 1.63 -0.36 0.00 0.00 175.35 176.95