#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k0t s THR 4 N 0.00 -0.03 0.01 3.15 2.01 -0.19 -4.99 115.64 115.60 3k0t s THR 4 Ca 0.00 0.12 -0.27 0.00 0.31 0.00 0.00 61.69 61.85 3k0t s THR 4 Cb 0.00 -0.06 -0.04 0.00 0.01 0.00 0.00 72.50 72.41 3k0t s THR 4 CO 0.00 0.05 0.85 -0.69 -0.69 0.00 0.00 174.62 174.14 3k0t s VAL 5 N 0.61 4.82 -0.19 3.82 1.01 -1.26 -1.30 120.40 127.91 3k0t s VAL 5 Ca -0.05 1.80 -0.07 0.00 0.00 0.00 0.00 61.98 63.66 3k0t s VAL 5 Cb -0.07 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 3k0t s VAL 5 CO -0.02 0.26 0.05 -0.63 0.00 0.00 0.00 175.10 174.76 3k0t s ILE 6 N 0.54 4.59 -0.04 2.22 -1.09 -0.60 -4.97 121.20 121.87 3k0t s ILE 6 Ca 0.44 -0.10 -0.00 0.00 -2.23 0.00 0.00 60.65 58.76 3k0t s ILE 6 Cb -0.20 -3.08 0.03 0.00 -1.58 0.00 0.00 42.46 37.62 3k0t s ILE 6 CO 0.25 0.43 0.02 -0.89 -1.23 0.00 0.00 174.94 173.52 3k0t s THR 7 N 0.66 0.09 -0.14 2.92 2.01 -1.26 -3.38 115.64 116.53 3k0t s THR 7 Ca 0.03 0.20 -0.01 0.00 0.31 0.00 0.00 61.69 62.22 3k0t s THR 7 Cb -0.13 -0.24 -0.01 0.00 0.01 0.00 0.00 72.50 72.12 3k0t s THR 7 CO 0.02 0.16 -0.12 -0.55 -0.69 0.00 0.00 174.62 173.43 3k0t s SER 8 N 1.43 4.05 0.00 3.53 0.15 -1.26 -4.93 113.70 116.67 3k0t s SER 8 Ca -0.04 -0.33 0.12 0.00 0.70 0.00 0.00 55.95 56.40 3k0t s SER 8 Cb -0.13 -1.63 0.68 0.00 -1.71 0.00 0.00 66.02 63.23 3k0t s SER 8 CO -0.03 0.15 1.44 -0.90 1.20 0.00 0.00 173.24 175.10 3k0t n ASP 9 N 3.66 0.24 -0.29 5.45 5.68 -1.26 -2.12 116.55 127.91 3k0t n ASP 9 Ca -0.18 -1.66 0.08 0.00 -0.50 0.00 0.00 54.79 52.53 3k0t n ASP 9 Cb 0.52 -0.02 -0.03 0.00 -1.14 0.00 0.00 41.12 40.46 3k0t n ASP 9 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3k0t n LYS 10 N -0.53 1.62 -4.05 0.11 4.76 -1.26 -4.95 118.16 113.86 3k0t n LYS 10 Ca 0.09 -0.62 -0.24 0.00 -2.87 0.00 0.00 58.31 54.67 3k0t n LYS 10 Cb 0.08 -1.30 -0.04 0.00 -1.84 0.00 0.00 35.03 31.93 3k0t n LYS 10 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3k0t s ALA 11 N -2.13 3.72 0.28 7.82 0.00 -0.90 -4.77 121.76 125.77 3k0t s ALA 11 Ca 0.12 -1.25 -0.30 0.00 0.00 0.00 0.00 51.96 50.52 3k0t s ALA 11 Cb 0.13 -1.49 -0.12 0.00 0.00 0.00 0.00 23.12 21.64 3k0t s ALA 11 CO 0.49 0.37 1.53 -2.30 0.00 0.00 0.00 175.76 175.86 3k0t n PRO 12 N -0.87 2.48 -1.69 0.00 -0.02 -1.26 -4.88 135.00 128.76 3k0t n PRO 12 Ca -0.08 0.88 -0.41 0.00 -2.02 0.00 0.00 63.50 61.87 3k0t n PRO 12 Cb 0.56 -2.62 0.01 0.00 -0.02 0.00 0.00 33.50 31.43 3k0t n PRO 12 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3k0t n ALA 13 N 2.07 1.22 -2.68 3.55 0.00 -1.26 -4.91 120.51 118.50 3k0t n ALA 13 Ca 0.10 0.27 -0.43 0.00 0.00 0.00 0.00 53.44 53.37 3k0t n ALA 13 Cb 0.35 -2.25 -0.04 0.00 0.00 0.00 0.00 19.45 17.50 3k0t n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k0t s ALA 14 N -1.20 3.19 -0.36 0.00 0.00 -1.26 -5.01 121.76 117.12 3k0t s ALA 14 Ca 0.61 -1.34 -0.12 0.00 0.00 0.00 0.00 51.96 51.10 3k0t s ALA 14 Cb -0.51 -3.70 0.00 0.00 0.00 0.00 0.00 23.12 18.91 3k0t s ALA 14 CO 0.58 -2.36 0.23 0.42 0.00 0.00 0.00 175.76 174.63 3k0t s ILE 15 N 3.79 5.03 -1.45 0.00 -1.09 -1.26 -4.91 121.20 121.31 3k0t s ILE 15 Ca 0.28 -0.48 0.00 0.00 -2.23 0.00 0.00 60.65 58.22 3k0t s ILE 15 Cb -0.14 -3.67 0.00 0.00 -1.58 0.00 0.00 42.46 37.07 3k0t s ILE 15 CO 0.18 -0.11 0.00 0.61 -1.23 0.00 0.00 174.94 174.39 3k0t n GLY 16 N 5.08 0.64 2.33 6.18 0.00 -1.26 -4.88 105.19 113.28 3k0t n GLY 16 Ca -0.12 -2.20 -0.37 0.00 0.00 0.00 0.00 46.02 43.33 3k0t n GLY 16 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3k0t n PRO 17 N -0.52 3.74 -3.90 1.61 -0.04 -1.26 -4.86 135.00 129.77 3k0t n PRO 17 Ca 0.00 -2.41 -0.10 0.00 -0.04 0.00 0.00 63.50 60.95 3k0t n PRO 17 Cb 0.00 -2.67 -0.06 0.00 -0.04 0.00 0.00 33.50 30.73 3k0t n PRO 17 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 3k0t s TYR 18 N 1.13 0.25 0.21 0.54 -0.85 -1.26 -5.17 117.35 112.20 3k0t s TYR 18 Ca 0.66 -0.61 0.11 0.00 -0.52 0.00 0.00 57.07 56.70 3k0t s TYR 18 Cb 0.20 0.08 -0.04 0.00 0.38 0.00 0.00 41.96 42.57 3k0t s TYR 18 CO -0.07 -0.79 -0.18 -1.12 -1.52 0.00 0.00 175.55 171.87 3k0t s SER 19 N -2.94 3.72 0.30 -0.18 0.01 -1.26 -4.84 113.70 108.51 3k0t s SER 19 Ca 0.15 -0.81 -0.01 0.00 1.31 0.00 0.00 55.95 56.59 3k0t s SER 19 Cb 0.02 -0.41 0.47 0.00 0.21 0.00 0.00 66.02 66.31 3k0t s SER 19 CO -0.00 0.10 1.96 1.56 0.41 0.00 0.00 173.24 177.26 3k0t h GLN 20 N 2.90 1.06 -2.67 12.44 4.20 -1.95 -3.41 115.11 127.68 3k0t h GLN 20 Ca -0.45 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.18 3k0t h GLN 20 Cb 1.22 -0.24 -0.14 0.00 0.30 0.00 0.00 27.48 28.62 3k0t h GLN 20 CO 0.52 0.70 0.25 0.00 -0.67 0.00 0.00 178.83 179.64 3k0t s ALA 21 N -5.92 -1.67 -0.09 3.87 0.00 -1.22 -0.50 121.76 116.24 3k0t s ALA 21 Ca -0.11 0.75 0.01 0.00 0.00 0.00 0.00 51.96 52.61 3k0t s ALA 21 Cb 0.18 0.61 0.02 0.00 0.00 0.00 0.00 23.12 23.93 3k0t s ALA 21 CO 0.79 -0.67 -0.12 0.42 0.00 0.00 0.00 175.76 176.19 3k0t s ILE 22 N -3.10 1.20 -0.26 0.00 -1.09 0.43 -1.56 121.20 116.82 3k0t s ILE 22 Ca -0.01 -0.47 -0.10 0.00 -2.23 0.00 0.00 60.65 57.84 3k0t s ILE 22 Cb -0.01 -1.12 -0.04 0.00 -1.58 0.00 0.00 42.46 39.71 3k0t s ILE 22 CO -0.08 0.38 0.14 -0.75 -1.23 0.00 0.00 174.94 173.40 3k0t s LYS 23 N 1.01 3.89 -0.21 2.79 2.20 -0.42 0.21 119.74 129.21 3k0t s LYS 23 Ca -0.08 -0.36 0.01 0.00 -0.36 0.00 0.00 55.97 55.18 3k0t s LYS 23 Cb -0.15 -3.51 0.05 0.00 -1.51 0.00 0.00 37.83 32.71 3k0t s LYS 23 CO -0.01 -0.10 -0.10 0.00 -0.36 0.00 0.00 175.35 174.78 3k0t s ALA 24 N 1.48 2.03 0.00 3.13 0.00 0.67 -1.02 121.76 128.05 3k0t s ALA 24 Ca 0.07 -1.25 0.00 0.00 0.00 0.00 0.00 51.96 50.77 3k0t s ALA 24 Cb -0.15 -1.32 0.00 0.00 0.00 0.00 0.00 23.12 21.65 3k0t s ALA 24 CO 0.07 -0.89 0.00 0.41 0.00 0.00 0.00 175.76 175.35 3k0t n GLY 25 N 4.67 2.90 0.46 0.00 0.00 -1.26 -1.52 105.19 110.44 3k0t n GLY 25 Ca -0.14 -0.23 0.14 0.00 0.00 0.00 0.00 46.02 45.78 3k0t n GLY 25 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3k0t n ASN 26 N 5.36 1.51 -4.48 1.61 4.13 -1.26 -4.89 115.26 117.24 3k0t n ASN 26 Ca 0.00 -1.41 -0.35 0.00 1.68 0.00 0.00 54.58 54.51 3k0t n ASN 26 Cb 0.00 0.03 -0.12 0.00 -1.54 0.00 0.00 39.78 38.15 3k0t n ASN 26 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3k0t s THR 27 N -2.11 4.08 -0.26 3.41 2.01 -0.58 -0.09 115.64 122.10 3k0t s THR 27 Ca 0.34 -0.28 -0.07 0.00 0.31 0.00 0.00 61.69 62.00 3k0t s THR 27 Cb 0.21 -2.84 -0.01 0.00 0.01 0.00 0.00 72.50 69.87 3k0t s THR 27 CO 0.37 0.44 0.06 -0.69 -0.69 0.00 0.00 174.62 174.11 3k0t s VAL 28 N 0.83 4.07 0.47 3.82 1.01 0.90 -0.24 120.40 131.26 3k0t s VAL 28 Ca 0.01 -0.37 0.04 0.00 0.00 0.00 0.00 61.98 61.66 3k0t s VAL 28 Cb -0.14 -2.95 0.02 0.00 0.00 0.00 0.00 36.38 33.30 3k0t s VAL 28 CO 0.02 0.28 0.66 -0.31 0.00 0.00 0.00 175.10 175.74 3k0t s TYR 29 N 1.56 2.91 0.18 5.22 2.02 0.13 -1.57 117.35 127.81 3k0t s TYR 29 Ca 0.05 -0.15 0.09 0.00 -0.37 0.00 0.00 57.07 56.70 3k0t s TYR 29 Cb -0.16 -2.49 -0.04 0.00 -0.40 0.00 0.00 41.96 38.88 3k0t s TYR 29 CO 0.02 -0.56 -0.19 -1.12 -1.57 0.00 0.00 175.55 172.13 3k0t s SER 31 N -4.35 2.88 0.39 2.29 0.01 0.35 -0.43 113.70 114.85 3k0t s SER 31 Ca 0.54 -0.88 -0.27 0.00 1.31 0.00 0.00 55.95 56.65 3k0t s SER 31 Cb -0.10 -0.18 -0.10 0.00 0.21 0.00 0.00 66.02 65.85 3k0t s SER 31 CO 0.36 -0.01 1.39 -0.83 0.41 0.00 0.00 173.24 174.55 3k0t s GLY 32 N -2.77 2.94 -0.04 3.44 0.00 -1.26 -4.63 107.32 105.01 3k0t s GLY 32 Ca 0.18 1.39 0.03 0.00 0.00 0.00 0.00 44.72 46.32 3k0t s GLY 32 CO 0.08 2.03 -0.11 1.20 0.00 0.00 0.00 173.10 176.30 3k0t s GLN 33 N -2.17 2.56 0.40 2.90 -1.52 -1.26 -4.94 119.66 115.63 3k0t s GLN 33 Ca 0.55 -0.67 0.08 0.00 -1.95 0.00 0.00 55.36 53.37 3k0t s GLN 33 Cb -0.42 -2.46 -0.04 0.00 -0.22 0.00 0.00 33.01 29.87 3k0t s GLN 33 CO 0.56 0.63 0.21 0.96 -0.25 0.00 0.00 175.29 177.40 3k0t s ILE 34 N -0.81 2.52 0.00 1.08 -4.36 -1.26 -4.35 121.20 114.01 3k0t s ILE 34 Ca 0.13 -1.62 0.00 0.00 -0.26 0.00 0.00 60.65 58.90 3k0t s ILE 34 Cb -0.11 -2.99 0.00 0.00 1.25 0.00 0.00 42.46 40.61 3k0t s ILE 34 CO 0.02 -0.04 0.88 -2.65 0.24 0.00 0.00 174.94 173.40 3k0t n PRO 35 N -1.28 0.46 -2.73 0.37 -0.01 -1.26 -4.58 135.00 125.98 3k0t n PRO 35 Ca -0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 63.50 63.08 3k0t n PRO 35 Cb 0.63 -1.27 -0.05 0.00 -0.01 0.00 0.00 33.50 32.81 3k0t n PRO 35 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 175.50 174.98 3k0t s LEU 36 N 0.00 4.51 -0.28 2.45 1.43 -1.26 -1.66 118.68 123.87 3k0t s LEU 36 Ca 0.00 1.81 -0.29 0.00 -1.03 0.00 0.00 54.13 54.62 3k0t s LEU 36 Cb 0.00 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.63 3k0t s LEU 36 CO 0.00 -0.05 1.24 -0.62 0.23 0.00 0.00 176.35 177.16 3k0t s ASP 37 N -0.12 6.78 0.45 2.29 -1.08 -0.18 -4.79 116.67 120.03 3k0t s ASP 37 Ca 0.46 1.26 0.13 0.00 -0.52 0.00 0.00 52.55 53.89 3k0t s ASP 37 Cb -0.24 -2.54 1.07 0.00 -1.46 0.00 0.00 42.92 39.75 3k0t s ASP 37 CO 0.30 -0.98 2.04 -0.65 0.52 0.00 0.00 175.17 176.40 3k0t h PRO 38 N 8.83 0.32 0.00 4.34 0.11 -1.88 -2.88 132.00 140.84 3k0t h PRO 38 Ca -0.25 -0.02 -0.17 0.00 0.11 0.00 0.00 66.00 65.67 3k0t h PRO 38 Cb 1.09 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.10 3k0t h PRO 38 CO 1.02 0.21 -0.83 0.66 -0.21 0.00 0.00 178.00 178.85 3k0t h SER 39 N 0.33 0.00 0.00 -2.05 4.64 -1.93 -3.44 113.55 111.09 3k0t h SER 39 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 3k0t h SER 39 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 3k0t h SER 39 CO -0.04 0.83 0.00 0.35 -0.87 0.00 0.00 176.83 177.10 3k0t n THR 40 N -3.38 0.00 0.00 2.95 -2.24 -1.09 -5.20 114.28 105.32 3k0t n THR 40 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3k0t n THR 40 Cb 0.84 -0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 3k0t n THR 40 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3k0t n GLU 42 N -0.13 0.00 -2.38 -0.78 1.02 -1.25 -5.01 120.64 112.12 3k0t n GLU 42 Ca 0.00 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.73 3k0t n GLU 42 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.38 3k0t n GLU 42 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3k0t s LEU 43 N 0.00 4.51 0.60 -4.62 1.43 -1.26 -1.01 118.68 118.33 3k0t s LEU 43 Ca 0.00 2.36 -0.14 0.00 -1.03 0.00 0.00 54.13 55.32 3k0t s LEU 43 Cb 0.00 -3.63 -0.04 0.00 0.03 0.00 0.00 46.19 42.55 3k0t s LEU 43 CO 0.00 -0.27 1.03 0.68 0.23 0.00 0.00 176.35 178.03 3k0t s VAL 44 N -0.97 4.21 0.05 -1.59 -7.23 -0.67 -4.88 120.40 109.32 3k0t s VAL 44 Ca 0.47 0.90 0.02 0.00 -1.81 0.00 0.00 61.98 61.57 3k0t s VAL 44 Cb -0.34 -3.56 -0.04 0.00 0.56 0.00 0.00 36.38 33.00 3k0t s VAL 44 CO 0.43 -0.76 0.04 -1.61 -0.31 0.00 0.00 175.10 172.89 3k0t s GLU 45 N -4.52 2.81 0.00 4.82 2.02 -1.26 -4.64 118.70 117.93 3k0t s GLU 45 Ca 0.59 -0.67 0.00 0.00 0.02 0.00 0.00 54.97 54.91 3k0t s GLU 45 Cb -0.13 -2.69 0.00 0.00 0.10 0.00 0.00 34.13 31.41 3k0t s GLU 45 CO 0.43 0.59 0.00 0.41 0.02 0.00 0.00 175.26 176.71 3k0t n GLY 46 N 0.85 0.75 0.35 -1.39 0.00 -1.26 -4.48 105.19 100.01 3k0t n GLY 46 Ca -0.11 -1.41 -0.00 0.00 0.00 0.00 0.00 46.02 44.49 3k0t n GLY 46 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3k0t h ILE 47 N 0.00 1.13 -0.52 -0.61 6.09 -1.99 -0.31 117.51 121.30 3k0t h ILE 47 Ca 0.00 -0.39 -0.09 0.00 -1.37 0.00 0.00 64.86 63.01 3k0t h ILE 47 Cb 0.00 -0.11 -0.02 0.00 0.47 0.00 0.00 36.82 37.16 3k0t h ILE 47 CO 0.00 0.21 -0.03 -0.33 -3.07 0.00 0.00 178.15 174.92 3k0t h GLU 48 N 1.14 0.94 -0.65 2.19 3.07 -1.99 -0.73 114.58 118.55 3k0t h GLU 48 Ca 0.38 -0.32 -0.08 0.00 -0.50 0.00 0.00 59.36 58.85 3k0t h GLU 48 Cb 0.05 -0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 27.86 3k0t h GLU 48 CO -0.14 0.97 0.11 0.00 -1.40 0.00 0.00 179.01 178.56 3k0t h ALA 49 N 0.93 0.86 -0.56 3.43 0.00 -1.71 -1.28 119.26 120.94 3k0t h ALA 49 Ca 0.14 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 3k0t h ALA 49 Cb 0.57 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3k0t h ALA 49 CO 0.03 0.62 0.11 1.96 0.00 0.00 0.00 179.25 181.97 3k0t h GLN 50 N 0.99 0.91 -0.40 0.00 4.20 -0.75 0.62 115.11 120.68 3k0t h GLN 50 Ca 0.20 -0.24 -0.03 0.00 0.06 0.00 0.00 58.65 58.64 3k0t h GLN 50 Cb 0.43 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.08 3k0t h GLN 50 CO 0.01 0.87 0.14 0.82 -0.67 0.00 0.00 178.83 180.00 3k0t h ILE 51 N 0.81 1.21 -0.71 2.54 2.04 -0.98 -2.18 117.51 120.24 3k0t h ILE 51 Ca 0.17 -0.66 -0.00 0.00 1.00 0.00 0.00 64.86 65.37 3k0t h ILE 51 Cb 0.39 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 37.32 3k0t h ILE 51 CO 0.01 0.23 0.44 0.74 0.00 0.00 0.00 178.15 179.57 3k0t h THR 52 N 0.50 1.20 -0.52 -0.27 2.02 -0.99 -2.32 112.91 112.52 3k0t h THR 52 Ca 0.13 -0.41 -0.07 0.00 0.77 0.00 0.00 66.41 66.83 3k0t h THR 52 Cb 0.22 0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 66.81 3k0t h THR 52 CO -0.01 0.20 0.04 -0.61 0.37 0.00 0.00 175.52 175.51 3k0t h GLN 53 N 0.96 0.85 -0.57 6.66 5.75 -0.70 0.45 115.11 128.51 3k0t h GLN 53 Ca 0.25 -0.22 -0.07 0.00 -0.15 0.00 0.00 58.65 58.46 3k0t h GLN 53 Cb -0.05 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.37 3k0t h GLN 53 CO -0.05 0.83 0.07 0.28 -2.65 0.00 0.00 178.83 177.31 3k0t h VAL 54 N 0.80 1.26 -0.61 2.39 2.07 -1.05 0.16 116.25 121.26 3k0t h VAL 54 Ca 0.16 -1.01 -0.07 0.00 0.82 0.00 0.00 66.70 66.59 3k0t h VAL 54 Cb 0.43 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 3k0t h VAL 54 CO 0.02 0.37 0.10 -0.26 0.02 0.00 0.00 177.57 177.81 3k0t h PHE 55 N 0.84 1.08 -0.75 1.57 0.04 -1.08 0.25 116.94 118.89 3k0t h PHE 55 Ca 0.17 -0.15 -0.06 0.00 2.80 0.00 0.00 57.97 60.73 3k0t h PHE 55 Cb 0.45 -0.30 -0.03 0.00 2.20 0.00 0.00 35.95 38.27 3k0t h PHE 55 CO 0.03 0.92 0.23 0.93 -0.60 0.00 0.00 178.31 179.83 3k0t h GLU 56 N 0.92 1.16 -0.47 1.51 4.39 -0.68 0.65 114.58 122.07 3k0t h GLU 56 Ca 0.19 -0.25 -0.06 0.00 0.34 0.00 0.00 59.36 59.57 3k0t h GLU 56 Cb 0.43 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.89 3k0t h GLU 56 CO 0.01 0.99 0.04 -0.91 -1.16 0.00 0.00 179.01 177.98 3k0t h ASN 57 N 1.11 0.77 -0.54 1.42 2.35 -0.29 -1.42 115.58 118.99 3k0t h ASN 57 Ca 0.24 -0.28 -0.11 0.00 -0.55 0.00 0.00 56.30 55.60 3k0t h ASN 57 Cb 0.31 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 3k0t h ASN 57 CO -0.01 0.86 -0.09 -0.07 -1.65 0.00 0.00 177.43 176.48 3k0t h LEU 58 N 0.66 1.02 -0.38 1.61 3.38 -0.72 -2.38 115.31 118.50 3k0t h LEU 58 Ca 0.14 -0.33 0.02 0.00 0.09 0.00 0.00 57.88 57.80 3k0t h LEU 58 Cb 0.44 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 3k0t h LEU 58 CO 0.02 1.12 0.22 0.50 0.09 0.00 0.00 178.44 180.38 3k0t h LYS 59 N 0.92 0.43 -0.52 1.13 3.64 -0.74 0.24 116.57 121.66 3k0t h LYS 59 Ca 0.15 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.52 3k0t h LYS 59 Cb 0.65 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.34 3k0t h LYS 59 CO 0.04 0.28 0.33 0.77 -2.27 0.00 0.00 179.45 178.61 3k0t h SER 60 N 0.44 0.55 -0.47 4.20 0.02 -1.16 0.32 113.55 117.45 3k0t h SER 60 Ca 0.15 -0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.04 3k0t h SER 60 Cb 0.02 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.41 3k0t h SER 60 CO -0.08 0.39 0.06 0.58 -1.14 0.00 0.00 176.83 176.65 3k0t h VAL 61 N 0.66 1.25 -0.89 2.27 2.07 -1.06 -2.27 116.25 118.28 3k0t h VAL 61 Ca 0.20 -0.93 -0.02 0.00 0.82 0.00 0.00 66.70 66.77 3k0t h VAL 61 Cb -0.02 0.95 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 3k0t h VAL 61 CO -0.07 0.33 0.49 0.00 0.02 0.00 0.00 177.57 178.33 3k0t h ALA 62 N 0.95 1.13 -0.45 1.67 0.00 -0.10 -2.13 119.26 120.33 3k0t h ALA 62 Ca 0.14 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 3k0t h ALA 62 Cb 0.40 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3k0t h ALA 62 CO 0.01 0.64 -0.00 1.96 0.00 0.00 0.00 179.25 181.86 3k0t h GLN 63 N 1.24 0.75 0.00 0.00 4.20 -0.77 -1.18 115.11 119.34 3k0t h GLN 63 Ca 0.31 -0.20 0.00 0.00 0.06 0.00 0.00 58.65 58.83 3k0t h GLN 63 Cb 0.02 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.71 3k0t h GLN 63 CO -0.05 0.76 0.00 0.00 -0.67 0.00 0.00 178.83 178.87 3k0t h ALA 64 N 1.30 1.00 -0.02 3.87 0.00 -0.94 -2.28 119.26 122.18 3k0t h ALA 64 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3k0t h ALA 64 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3k0t h ALA 64 CO 0.02 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.27 3k0t n ALA 65 N -2.07 2.62 -1.10 0.00 0.00 -0.81 -4.81 120.51 114.33 3k0t n ALA 65 Ca 0.02 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.12 3k0t n ALA 65 Cb 0.36 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.51 3k0t n ALA 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k0t n GLY 66 N 1.08 0.55 0.00 0.00 0.00 -0.86 -5.03 105.19 100.94 3k0t n GLY 66 Ca 0.20 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.38 3k0t n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k0t n GLY 67 N -2.19 4.89 2.39 -0.02 0.00 -0.51 -5.03 105.19 104.71 3k0t n GLY 67 Ca 0.00 -1.44 -0.08 0.00 0.00 0.00 0.00 46.02 44.51 3k0t n GLY 67 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3k0t n SER 68 N -0.54 -1.26 0.30 1.61 3.41 -1.26 -3.33 113.62 112.55 3k0t n SER 68 Ca 0.00 -2.14 0.17 0.00 -0.26 0.00 0.00 58.87 56.64 3k0t n SER 68 Cb 0.00 2.18 0.93 0.00 -0.26 0.00 0.00 64.21 67.06 3k0t n SER 68 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 3k0t h PHE 69 N 1.66 0.00 0.00 7.33 -1.00 -1.93 -0.29 116.94 122.71 3k0t h PHE 69 Ca -0.21 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.56 3k0t h PHE 69 Cb 0.81 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.37 3k0t h PHE 69 CO 0.00 0.04 -0.08 0.87 -1.61 0.00 0.00 178.31 177.53 3k0t h LYS 70 N 0.00 0.00 -0.01 1.51 1.57 -1.95 -2.25 116.57 115.44 3k0t h LYS 70 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3k0t h LYS 70 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 3k0t h LYS 70 CO 0.01 0.08 -0.14 -0.25 -0.57 0.00 0.00 179.45 178.57 3k0t n ASP 71 N -3.55 1.29 -4.68 0.86 8.00 -0.12 -4.89 116.55 113.47 3k0t n ASP 71 Ca -0.02 -1.19 -0.42 0.00 0.71 0.00 0.00 54.79 53.87 3k0t n ASP 71 Cb 0.20 0.08 -0.03 0.00 -0.02 0.00 0.00 41.12 41.36 3k0t n ASP 71 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3k0t s ILE 72 N -2.27 4.02 -0.07 0.53 1.01 -0.85 -1.14 121.20 122.44 3k0t s ILE 72 Ca 0.30 1.31 0.20 0.00 0.00 0.00 0.00 60.65 62.46 3k0t s ILE 72 Cb 0.20 -3.85 -0.30 0.00 0.01 0.00 0.00 42.46 38.53 3k0t s ILE 72 CO 0.44 -0.05 0.36 1.33 0.00 0.00 0.00 174.94 177.01 3k0t n VAL 73 N 4.99 0.31 -3.74 2.92 0.24 -0.16 -4.35 118.33 118.54 3k0t n VAL 73 Ca 0.13 -0.55 -0.12 0.00 -2.04 0.00 0.00 64.34 61.76 3k0t n VAL 73 Cb 0.45 -0.09 -0.12 0.00 -1.47 0.00 0.00 33.84 32.61 3k0t n VAL 73 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3k0t s LYS 74 N -3.19 0.31 -0.05 7.34 2.47 -1.18 -1.12 119.74 124.32 3k0t s LYS 74 Ca -0.08 0.52 0.02 0.00 -1.56 0.00 0.00 55.97 54.88 3k0t s LYS 74 Cb 0.11 0.03 0.01 0.00 -1.46 0.00 0.00 37.83 36.53 3k0t s LYS 74 CO 0.83 -0.10 -0.11 -1.17 0.16 0.00 0.00 175.35 174.96 3k0t s LEU 75 N 0.76 1.64 -0.17 5.43 2.96 -0.52 -1.03 118.68 127.75 3k0t s LEU 75 Ca -0.05 -0.25 -0.05 0.00 -0.22 0.00 0.00 54.13 53.56 3k0t s LEU 75 Cb -0.06 -0.73 -0.03 0.00 0.50 0.00 0.00 46.19 45.87 3k0t s LEU 75 CO -0.05 0.04 -0.01 0.20 -1.32 0.00 0.00 176.35 175.21 3k0t s ASN 76 N 0.56 4.95 -0.21 3.68 0.02 -0.29 -2.01 114.94 121.65 3k0t s ASN 76 Ca -0.11 -0.11 -0.05 0.00 -1.02 0.00 0.00 52.86 51.57 3k0t s ASN 76 Cb -0.14 -1.83 -0.02 0.00 0.02 0.00 0.00 41.25 39.28 3k0t s ASN 76 CO 0.02 0.14 -0.01 -0.63 0.02 0.00 0.00 177.10 176.64 3k0t s ILE 77 N 0.56 3.77 -0.21 0.60 1.01 -0.12 -2.38 121.20 124.44 3k0t s ILE 77 Ca -0.01 -0.37 -0.02 0.00 0.00 0.00 0.00 60.65 60.25 3k0t s ILE 77 Cb -0.14 -2.71 0.01 0.00 0.01 0.00 0.00 42.46 39.63 3k0t s ILE 77 CO 0.02 0.42 -0.11 -0.36 0.00 0.00 0.00 174.94 174.92 3k0t s PHE 78 N 1.16 2.90 -0.02 3.97 0.08 -0.05 -1.46 117.98 124.56 3k0t s PHE 78 Ca 0.03 -1.28 0.04 0.00 0.12 0.00 0.00 56.93 55.84 3k0t s PHE 78 Cb -0.14 -2.03 -0.01 0.00 -0.57 0.00 0.00 43.02 40.27 3k0t s PHE 78 CO 0.01 -0.67 -0.16 -0.51 -0.10 0.00 0.00 175.22 173.79 3k0t s LEU 79 N 1.39 1.96 0.37 -0.37 1.43 -0.88 -1.35 118.68 121.24 3k0t s LEU 79 Ca 0.05 -0.30 0.20 0.00 -1.03 0.00 0.00 54.13 53.04 3k0t s LEU 79 Cb -0.14 -0.86 0.27 0.00 0.03 0.00 0.00 46.19 45.50 3k0t s LEU 79 CO -0.07 0.17 1.56 0.71 0.23 0.00 0.00 176.35 178.94 3k0t h THR 80 N 4.99 0.40 -3.21 5.49 1.35 -1.70 0.13 112.91 120.37 3k0t h THR 80 Ca -0.34 -1.53 -0.53 0.00 -0.55 0.00 0.00 66.41 63.46 3k0t h THR 80 Cb 1.16 2.16 -0.40 0.00 -1.73 0.00 0.00 68.15 69.35 3k0t h THR 80 CO 0.48 0.23 -0.76 -0.62 -0.25 0.00 0.00 175.52 174.59 3k0t s ASP 81 N -6.31 3.14 0.00 5.36 -1.08 -1.26 -4.67 116.67 111.86 3k0t s ASP 81 Ca 0.05 -1.00 0.13 0.00 -0.52 0.00 0.00 52.55 51.21 3k0t s ASP 81 Cb 0.06 -0.61 0.55 0.00 -1.46 0.00 0.00 42.92 41.46 3k0t s ASP 81 CO 0.70 -0.34 1.41 0.18 0.52 0.00 0.00 175.17 177.64 3k0t n LEU 82 N 5.04 0.00 0.22 -1.34 4.77 -1.26 -2.02 117.00 122.40 3k0t n LEU 82 Ca -0.07 0.50 0.15 0.00 -0.03 0.00 0.00 56.01 56.56 3k0t n LEU 82 Cb 0.46 -0.50 0.77 0.00 -2.33 0.00 0.00 43.42 41.82 3k0t n LEU 82 CO 0.12 -0.28 0.96 1.23 -1.33 0.00 0.00 177.39 178.09 3k0t h GLY 83 N 2.21 0.00 -0.83 -0.72 0.00 -1.99 0.62 103.07 102.36 3k0t h GLY 83 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3k0t h GLY 83 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 176.54 177.96 3k0t n HIS 84 N -2.60 0.23 -0.23 5.60 8.25 -0.86 -4.38 115.22 121.23 3k0t n HIS 84 Ca -0.01 -0.11 -0.08 0.00 -0.26 0.00 0.00 57.72 57.26 3k0t n HIS 84 Cb 0.11 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.26 3k0t n HIS 84 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 3k0t h PHE 85 N 2.16 1.06 -0.92 4.41 3.57 -1.07 -2.54 116.94 123.60 3k0t h PHE 85 Ca 0.00 -0.12 0.07 0.00 3.53 0.00 0.00 57.97 61.45 3k0t h PHE 85 Cb 0.47 -0.30 -0.06 0.00 2.79 0.00 0.00 35.95 38.85 3k0t h PHE 85 CO 0.11 0.88 0.58 0.00 -2.23 0.00 0.00 178.31 177.65 3k0t h ALA 86 N 1.06 1.28 -0.39 2.41 0.00 -1.81 -0.55 119.26 121.26 3k0t h ALA 86 Ca 0.20 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 3k0t h ALA 86 Cb 0.34 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3k0t h ALA 86 CO -0.00 0.34 -0.09 -0.22 0.00 0.00 0.00 179.25 179.28 3k0t h LYS 87 N 1.05 0.67 -0.23 0.00 1.63 -1.82 -0.41 116.57 117.46 3k0t h LYS 87 Ca 0.40 -0.20 -0.01 0.00 -0.85 0.00 0.00 60.65 60.00 3k0t h LYS 87 Cb 0.19 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.74 3k0t h LYS 87 CO -0.18 0.75 0.12 0.28 -3.45 0.00 0.00 179.45 176.96 3k0t h VAL 88 N 0.62 1.13 -0.40 2.00 2.07 -0.75 -0.56 116.25 120.35 3k0t h VAL 88 Ca 0.11 -0.38 0.06 0.00 0.82 0.00 0.00 66.70 67.32 3k0t h VAL 88 Cb 0.51 0.96 -0.06 0.00 -1.52 0.00 0.00 31.29 31.19 3k0t h VAL 88 CO 0.03 0.13 0.07 0.78 0.02 0.00 0.00 177.57 178.60 3k0t h ASN 89 N 0.25 -0.02 0.14 0.57 -0.26 -0.77 -2.95 115.58 112.54 3k0t h ASN 89 Ca 0.08 0.07 -0.01 0.00 -0.56 0.00 0.00 56.30 55.89 3k0t h ASN 89 Cb 0.11 0.10 0.00 0.00 -1.06 0.00 0.00 38.32 37.47 3k0t h ASN 89 CO -0.01 0.03 -0.07 -0.08 -1.06 0.00 0.00 177.43 176.24 3k0t h GLU 90 N 0.19 -0.18 -1.89 0.81 4.81 -0.85 -1.87 114.58 115.61 3k0t h GLU 90 Ca 0.20 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 3k0t h GLU 90 Cb 0.24 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.67 3k0t h GLU 90 CO -0.27 -0.01 0.00 -0.89 -0.73 0.00 0.00 179.01 177.11 3k0t n ILE 91 N -5.11 0.22 0.00 2.32 5.41 -0.24 -3.36 119.36 118.60 3k0t n ILE 91 Ca -0.09 -0.03 0.00 0.00 1.00 0.00 0.00 62.75 63.64 3k0t n ILE 91 Cb 0.15 -0.75 0.00 0.00 -0.71 0.00 0.00 39.64 38.32 3k0t n ILE 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3k0t n GLY 93 N 1.26 0.00 0.09 7.39 0.00 -0.71 -2.98 105.19 110.24 3k0t n GLY 93 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 3k0t n GLY 93 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3k0t h SER 94 N 0.00 0.00 0.00 1.61 4.64 -1.85 -3.35 113.55 114.61 3k0t h SER 94 Ca 0.00 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 3k0t h SER 94 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3k0t h SER 94 CO 0.00 0.07 -1.69 -1.22 -0.87 0.00 0.00 176.83 173.11 3k0t n TYR 95 N -2.30 0.00 -4.28 4.77 4.01 -1.16 -5.01 117.16 113.19 3k0t n TYR 95 Ca 0.03 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.58 3k0t n TYR 95 Cb 0.46 -0.36 -0.11 0.00 -0.31 0.00 0.00 39.34 39.02 3k0t n TYR 95 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 3k0t s PHE 96 N -3.26 1.57 0.05 -0.72 0.08 -1.26 -4.90 117.98 109.55 3k0t s PHE 96 Ca -0.04 -0.54 -0.02 0.00 0.12 0.00 0.00 56.93 56.45 3k0t s PHE 96 Cb 0.13 -0.79 -0.03 0.00 -0.57 0.00 0.00 43.02 41.75 3k0t s PHE 96 CO 0.81 0.23 -0.01 -1.54 -0.10 0.00 0.00 175.22 174.61 3k0t s SER 97 N -2.65 0.42 0.48 1.36 1.04 -1.26 -4.73 113.70 108.35 3k0t s SER 97 Ca 0.13 -0.90 -0.24 0.00 0.48 0.00 0.00 55.95 55.42 3k0t s SER 97 Cb -0.04 0.20 -0.07 0.00 0.10 0.00 0.00 66.02 66.20 3k0t s SER 97 CO 0.04 -0.57 1.40 0.00 0.98 0.00 0.00 173.24 175.09 3k0t n GLN 98 N 0.30 2.05 -2.24 4.02 10.64 -1.26 -3.87 117.38 127.01 3k0t n GLN 98 Ca -0.15 0.74 -0.42 0.00 -1.83 0.00 0.00 57.00 55.33 3k0t n GLN 98 Cb 0.60 -2.60 -0.03 0.00 -0.86 0.00 0.00 30.24 27.36 3k0t n GLN 98 CO 0.00 0.00 0.00 -1.25 -1.83 0.00 0.00 177.06 173.98 3k0t s PRO 99 N -2.57 4.35 0.44 2.61 0.04 -1.26 -5.15 135.00 133.45 3k0t s PRO 99 Ca 0.65 1.99 -0.20 0.00 0.04 0.00 0.00 61.00 63.47 3k0t s PRO 99 Cb -0.44 -3.28 -0.11 0.00 0.04 0.00 0.00 34.50 30.71 3k0t s PRO 99 CO 0.55 -0.39 0.95 0.71 0.04 0.00 0.00 177.00 178.85 3k0t s TYR 100 N 1.13 3.33 0.85 0.56 2.02 -1.25 -5.03 117.35 118.96 3k0t s TYR 100 Ca 0.63 1.58 -0.12 0.00 -0.37 0.00 0.00 57.07 58.79 3k0t s TYR 100 Cb -0.35 -2.83 0.10 0.00 -0.40 0.00 0.00 41.96 38.48 3k0t s TYR 100 CO 0.30 -0.14 1.10 -1.25 -1.57 0.00 0.00 175.55 173.99 3k0t s PRO 101 N -3.29 1.63 0.59 -1.71 0.04 -1.26 -5.03 135.00 125.98 3k0t s PRO 101 Ca 0.61 0.62 -0.14 0.00 0.04 0.00 0.00 61.00 62.13 3k0t s PRO 101 Cb -0.09 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.54 3k0t s PRO 101 CO 0.15 -1.93 1.03 0.00 0.04 0.00 0.00 177.00 176.30 3k0t s ALA 102 N -3.11 2.87 0.17 8.56 0.00 -0.27 -4.91 121.76 125.07 3k0t s ALA 102 Ca 0.62 0.21 -0.18 0.00 0.00 0.00 0.00 51.96 52.61 3k0t s ALA 102 Cb -0.16 -3.17 0.04 0.00 0.00 0.00 0.00 23.12 19.83 3k0t s ALA 102 CO 0.55 -0.71 0.50 -0.98 0.00 0.00 0.00 175.76 175.12 3k0t s ARG 103 N -4.41 1.27 0.10 0.00 1.70 -1.26 -1.44 118.95 114.90 3k0t s ARG 103 Ca 0.60 -0.75 0.04 0.00 -0.47 0.00 0.00 55.73 55.15 3k0t s ARG 103 Cb -0.13 0.52 -0.04 0.00 -0.57 0.00 0.00 34.95 34.73 3k0t s ARG 103 CO 0.41 -0.53 -0.10 0.00 -1.08 0.00 0.00 175.30 174.00 3k0t s ALA 104 N -3.83 1.15 -0.16 7.88 0.00 -0.85 -4.96 121.76 120.98 3k0t s ALA 104 Ca 0.06 -1.20 -0.06 0.00 0.00 0.00 0.00 51.96 50.76 3k0t s ALA 104 Cb -0.00 0.02 0.07 0.00 0.00 0.00 0.00 23.12 23.21 3k0t s ALA 104 CO -0.07 -0.02 0.34 0.00 0.00 0.00 0.00 175.76 176.01 3k0t s ALA 105 N -2.41 -0.86 0.08 0.00 0.00 -1.26 -0.94 121.76 116.38 3k0t s ALA 105 Ca 0.06 1.25 0.03 0.00 0.00 0.00 0.00 51.96 53.31 3k0t s ALA 105 Cb -0.03 -1.06 -0.03 0.00 0.00 0.00 0.00 23.12 21.99 3k0t s ALA 105 CO 0.00 -0.56 -0.10 0.96 0.00 0.00 0.00 175.76 176.07 3k0t s ILE 106 N 2.15 0.86 -0.31 0.00 -4.36 -0.53 -4.99 121.20 114.02 3k0t s ILE 106 Ca -0.03 -1.54 -0.18 0.00 -0.26 0.00 0.00 60.65 58.64 3k0t s ILE 106 Cb -0.11 -1.23 -0.02 0.00 1.25 0.00 0.00 42.46 42.35 3k0t s ILE 106 CO -0.11 -0.53 0.51 -0.83 0.24 0.00 0.00 174.94 174.22 3k0t s GLY 107 N -2.29 1.83 0.27 6.27 0.00 -1.26 -2.06 107.32 110.08 3k0t s GLY 107 Ca 0.03 -0.82 0.06 0.00 0.00 0.00 0.00 44.72 43.98 3k0t s GLY 107 CO -0.00 1.24 0.37 -1.34 0.00 0.00 0.00 173.10 173.36 3k0t s VAL 108 N 2.34 4.79 0.17 1.40 -7.23 0.46 -4.96 120.40 117.37 3k0t s VAL 108 Ca 0.20 -1.05 0.02 0.00 -1.81 0.00 0.00 61.98 59.33 3k0t s VAL 108 Cb -0.15 -3.66 -0.14 0.00 0.56 0.00 0.00 36.38 32.98 3k0t s VAL 108 CO 0.11 -0.28 1.39 0.00 -0.31 0.00 0.00 175.10 176.01 3k0t h ALA 109 N 1.13 0.54 -2.54 1.32 0.00 -1.91 -3.39 119.26 114.41 3k0t h ALA 109 Ca -0.50 -0.70 0.02 0.00 0.00 0.00 0.00 54.91 53.74 3k0t h ALA 109 Cb 1.24 -0.07 -0.15 0.00 0.00 0.00 0.00 17.79 18.81 3k0t h ALA 109 CO 0.59 0.87 0.32 0.00 0.00 0.00 0.00 179.25 181.03 3k0t s ALA 110 N -3.30 -1.72 0.13 0.00 0.00 -1.26 -5.00 121.76 110.62 3k0t s ALA 110 Ca -0.04 0.84 0.07 0.00 0.00 0.00 0.00 51.96 52.83 3k0t s ALA 110 Cb 0.10 0.52 -0.04 0.00 0.00 0.00 0.00 23.12 23.70 3k0t s ALA 110 CO 0.83 -0.66 -0.16 -0.51 0.00 0.00 0.00 175.76 175.26 3k0t s LEU 111 N -2.36 2.41 0.35 0.00 1.43 -1.26 -5.02 118.68 114.24 3k0t s LEU 111 Ca 0.01 -0.82 -0.27 0.00 -1.03 0.00 0.00 54.13 52.02 3k0t s LEU 111 Cb -0.01 -0.66 -0.12 0.00 0.03 0.00 0.00 46.19 45.43 3k0t s LEU 111 CO -0.08 -0.10 1.09 -2.65 0.23 0.00 0.00 176.35 174.85 3k0t n PRO 112 N 0.50 1.59 -0.75 1.29 -0.02 -1.26 -2.03 135.00 134.31 3k0t n PRO 112 Ca -0.15 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 3k0t n PRO 112 Cb 0.57 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 3k0t n PRO 112 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3k0t n ARG 113 N 0.46 -0.60 -0.72 -0.52 1.74 -1.26 -2.01 116.66 113.75 3k0t n ARG 113 Ca 0.08 0.15 0.00 0.00 -0.77 0.00 0.00 57.85 57.31 3k0t n ARG 113 Cb 0.36 -4.28 0.00 0.00 -1.02 0.00 0.00 32.46 27.51 3k0t n ARG 113 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3k0t n GLY 114 N -1.18 0.59 3.74 -0.13 0.00 -0.86 -5.03 105.19 102.32 3k0t n GLY 114 Ca 0.00 -0.45 -0.37 0.00 0.00 0.00 0.00 46.02 45.20 3k0t n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k0t s ALA 115 N -2.00 2.51 -0.33 4.61 0.00 -0.85 -4.92 121.76 120.78 3k0t s ALA 115 Ca 0.00 1.21 0.23 0.00 0.00 0.00 0.00 51.96 53.40 3k0t s ALA 115 Cb 0.00 -3.54 0.06 0.00 0.00 0.00 0.00 23.12 19.64 3k0t s ALA 115 CO 0.00 -1.47 1.08 1.04 0.00 0.00 0.00 175.76 176.41 3k0t n GLN 116 N -1.64 0.53 -3.84 0.00 6.02 -1.26 -4.32 117.38 112.87 3k0t n GLN 116 Ca 0.14 0.10 -0.12 0.00 -0.01 0.00 0.00 57.00 57.12 3k0t n GLN 116 Cb 0.48 -1.78 -0.10 0.00 1.02 0.00 0.00 30.24 29.85 3k0t n GLN 116 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3k0t s VAL 117 N -3.32 0.06 0.35 5.09 0.11 -1.26 -2.64 120.40 118.79 3k0t s VAL 117 Ca 0.01 -0.48 0.03 0.00 -2.93 0.00 0.00 61.98 58.60 3k0t s VAL 117 Cb 0.11 -0.43 -0.01 0.00 -1.53 0.00 0.00 36.38 34.52 3k0t s VAL 117 CO 0.78 -0.26 0.41 1.21 -3.33 0.00 0.00 175.10 173.90 3k0t n GLU 118 N 1.80 0.59 -3.84 1.54 2.13 -0.45 -4.19 120.64 118.22 3k0t n GLU 118 Ca -0.20 -3.12 -0.07 0.00 0.66 0.00 0.00 57.16 54.43 3k0t n GLU 118 Cb 0.56 2.79 -0.02 0.00 0.27 0.00 0.00 31.44 35.04 3k0t n GLU 118 CO 0.00 0.00 0.00 0.16 -0.41 0.00 0.00 177.13 176.88 3k0t s ASP 120 N -3.30 -0.27 0.16 4.31 1.47 -1.00 -0.87 116.67 117.16 3k0t s ASP 120 Ca 0.35 -0.59 -0.19 0.00 1.18 0.00 0.00 52.55 53.30 3k0t s ASP 120 Cb 0.00 0.72 0.04 0.00 -0.34 0.00 0.00 42.92 43.35 3k0t s ASP 120 CO 0.25 -1.33 0.50 0.00 0.68 0.00 0.00 175.17 175.27 3k0t s ALA 121 N -3.91 -1.13 -0.08 2.11 0.00 -1.26 -1.14 121.76 116.35 3k0t s ALA 121 Ca 0.11 0.06 0.04 0.00 0.00 0.00 0.00 51.96 52.17 3k0t s ALA 121 Cb -0.06 0.80 0.00 0.00 0.00 0.00 0.00 23.12 23.86 3k0t s ALA 121 CO 0.06 -0.73 -0.21 0.42 0.00 0.00 0.00 175.76 175.31 3k0t s ILE 122 N -3.81 1.78 -0.05 0.00 1.01 -0.20 -4.68 121.20 115.26 3k0t s ILE 122 Ca 0.04 -0.87 0.04 0.00 0.00 0.00 0.00 60.65 59.86 3k0t s ILE 122 Cb 0.00 -1.54 -0.03 0.00 0.01 0.00 0.00 42.46 40.91 3k0t s ILE 122 CO -0.10 0.50 -0.15 -0.76 0.00 0.00 0.00 174.94 174.43 3k0t s LEU 123 N 0.28 2.69 -0.23 2.97 1.02 -0.61 -0.99 118.68 123.81 3k0t s LEU 123 Ca -0.13 -0.22 0.02 0.00 0.02 0.00 0.00 54.13 53.81 3k0t s LEU 123 Cb -0.16 -1.54 0.04 0.00 0.02 0.00 0.00 46.19 44.55 3k0t s LEU 123 CO 0.06 0.34 -0.13 -0.69 0.02 0.00 0.00 176.35 175.95 3k0t s VAL 124 N -0.69 2.25 -0.26 -1.59 1.01 -0.29 -0.07 120.40 120.76 3k0t s VAL 124 Ca 0.11 -1.31 -0.25 0.00 0.00 0.00 0.00 61.98 60.53 3k0t s VAL 124 Cb -0.11 -2.17 -0.00 0.00 0.00 0.00 0.00 36.38 34.10 3k0t s VAL 124 CO 0.01 0.19 0.86 -0.63 0.00 0.00 0.00 175.10 175.52 3k0t s ILE 125 N 1.20 4.79 0.00 2.22 -1.09 0.86 -4.76 121.20 124.42 3k0t s ILE 125 Ca -0.03 1.53 0.00 0.00 -2.23 0.00 0.00 60.65 59.92 3k0t s ILE 125 Cb -0.17 -4.16 0.00 0.00 -1.58 0.00 0.00 42.46 36.55 3k0t s ILE 125 CO -0.08 -0.15 0.00 -0.62 -1.23 0.00 0.00 174.94 172.86