#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kiy s LYS 2 N 0.00 3.07 -0.12 2.12 -0.14 -1.26 -1.20 119.74 122.20 3kiy s LYS 2 Ca 0.00 2.21 -0.09 0.00 -1.36 0.00 0.00 55.97 56.73 3kiy s LYS 2 Cb 0.00 -2.20 0.04 0.00 -1.68 0.00 0.00 37.83 33.99 3kiy s LYS 2 CO 0.00 -1.24 0.31 0.08 -0.76 0.00 0.00 175.35 173.74 3kiy s VAL 3 N -1.32 -0.02 -0.25 3.17 1.01 -0.59 -2.75 120.40 119.66 3kiy s VAL 3 Ca 0.73 0.06 -0.17 0.00 0.00 0.00 0.00 61.98 62.60 3kiy s VAL 3 Cb -0.40 -0.45 -0.03 0.00 0.00 0.00 0.00 36.38 35.50 3kiy s VAL 3 CO 0.47 0.02 0.48 -0.63 0.00 0.00 0.00 175.10 175.44 3kiy s ILE 4 N 0.69 5.10 0.00 2.22 1.01 -0.32 -1.50 121.20 128.41 3kiy s ILE 4 Ca -0.04 0.82 0.00 0.00 0.00 0.00 0.00 60.65 61.43 3kiy s ILE 4 Cb -0.06 -3.80 0.00 0.00 0.01 0.00 0.00 42.46 38.62 3kiy s ILE 4 CO -0.04 0.12 0.00 0.18 0.00 0.00 0.00 174.94 175.20 3kiy n LEU 5 N 5.34 0.00 0.00 2.97 4.77 -0.66 -0.43 117.00 128.98 3kiy n LEU 5 Ca -0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 3kiy n LEU 5 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 3kiy n LEU 5 CO 0.40 -0.43 0.00 0.18 -1.33 0.00 0.00 177.39 176.21 3kiy n LEU 6 N 0.00 0.00 -3.22 2.23 4.77 -1.22 -3.38 117.00 116.19 3kiy n LEU 6 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.56 3kiy n LEU 6 Cb 0.00 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.00 3kiy n LEU 6 CO 0.00 0.00 1.38 -0.62 -1.33 0.00 0.00 177.39 176.82 3kiy n GLU 7 N 0.00 0.00 -1.33 3.23 4.71 -1.26 -2.81 120.64 123.18 3kiy n GLU 7 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.16 56.73 3kiy n GLU 7 Cb 0.00 -1.12 -0.00 0.00 -1.01 0.00 0.00 31.44 29.30 3kiy n GLU 7 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 3kiy n PRO 8 N 5.77 0.08 -4.60 3.49 -0.04 -1.26 -4.81 135.00 133.62 3kiy n PRO 8 Ca 0.43 0.03 -0.29 0.00 -0.04 0.00 0.00 63.50 63.63 3kiy n PRO 8 Cb -0.02 -1.07 -0.08 0.00 -0.04 0.00 0.00 33.50 32.30 3kiy n PRO 8 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3kiy s LEU 9 N 3.86 2.08 0.12 1.53 1.02 -0.98 -4.77 118.68 121.53 3kiy s LEU 9 Ca 0.60 -1.70 -0.26 0.00 0.02 0.00 0.00 54.13 52.80 3kiy s LEU 9 Cb -0.66 -0.29 -0.07 0.00 0.02 0.00 0.00 46.19 45.19 3kiy s LEU 9 CO 0.61 -0.94 0.80 -0.70 0.02 0.00 0.00 176.35 176.14 3kiy s GLU 10 N -3.75 4.57 -1.86 1.70 -6.30 -1.26 -3.27 118.70 108.53 3kiy s GLU 10 Ca 0.16 1.17 0.00 0.00 -2.50 0.00 0.00 54.97 53.80 3kiy s GLU 10 Cb 0.02 -3.31 0.00 0.00 0.00 0.00 0.00 34.13 30.84 3kiy s GLU 10 CO 0.11 0.43 0.00 -1.71 0.02 0.00 0.00 175.26 174.11 3kiy n ASN 11 N 2.14 -5.36 0.00 -1.70 5.15 -1.26 -4.78 115.26 109.45 3kiy n ASN 11 Ca -0.04 0.25 0.00 0.00 -0.60 0.00 0.00 54.58 54.19 3kiy n ASN 11 Cb 0.49 -4.61 0.00 0.00 -0.53 0.00 0.00 39.78 35.13 3kiy n ASN 11 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3kiy n LEU 12 N -2.64 0.00 0.00 1.20 -0.00 -1.24 -5.18 117.00 109.14 3kiy n LEU 12 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.80 3kiy n LEU 12 Cb 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.08 3kiy n LEU 12 CO 0.28 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.28 3kiy n GLY 13 N 0.00 4.28 2.39 1.47 0.00 -1.20 -2.32 105.19 109.81 3kiy n GLY 13 Ca 0.00 -0.89 -0.01 0.00 0.00 0.00 0.00 46.02 45.12 3kiy n GLY 13 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kiy n ASP 14 N 0.00 -7.17 -3.16 1.61 8.00 -1.26 -4.61 116.55 109.96 3kiy n ASP 14 Ca 0.00 1.70 -0.30 0.00 0.71 0.00 0.00 54.79 56.91 3kiy n ASP 14 Cb 0.00 -4.83 0.03 0.00 -0.02 0.00 0.00 41.12 36.30 3kiy n ASP 14 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 3kiy n VAL 15 N 1.87 0.00 -0.35 2.53 0.24 -1.12 -2.35 118.33 119.15 3kiy n VAL 15 Ca -0.07 -0.19 0.00 0.00 -2.04 0.00 0.00 64.34 62.03 3kiy n VAL 15 Cb 0.11 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.48 3kiy n VAL 15 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kiy n GLY 16 N 2.77 0.00 3.77 7.63 0.00 -1.22 -4.85 105.19 113.29 3kiy n GLY 16 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 3kiy n GLY 16 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3kiy s GLN 17 N -0.69 4.37 -0.22 1.61 0.74 -0.99 -4.75 119.66 119.73 3kiy s GLN 17 Ca 0.00 0.86 -0.19 0.00 0.05 0.00 0.00 55.36 56.08 3kiy s GLN 17 Cb 0.00 -3.32 -0.03 0.00 1.10 0.00 0.00 33.01 30.76 3kiy s GLN 17 CO 0.00 0.41 0.58 0.08 -0.55 0.00 0.00 175.29 175.80 3kiy s VAL 18 N -0.39 5.05 -0.06 1.34 1.01 -1.26 -1.66 120.40 124.43 3kiy s VAL 18 Ca 0.33 1.05 -0.02 0.00 0.00 0.00 0.00 61.98 63.34 3kiy s VAL 18 Cb -0.19 -3.89 0.04 0.00 0.00 0.00 0.00 36.38 32.33 3kiy s VAL 18 CO 0.20 0.11 0.12 0.54 0.00 0.00 0.00 175.10 176.07 3kiy s VAL 19 N 2.03 -0.10 0.03 2.92 0.11 -0.56 -4.94 120.40 119.88 3kiy s VAL 19 Ca 0.25 0.24 -0.19 0.00 -2.93 0.00 0.00 61.98 59.35 3kiy s VAL 19 Cb -0.16 -0.22 -0.06 0.00 -1.53 0.00 0.00 36.38 34.41 3kiy s VAL 19 CO 0.09 0.10 0.57 1.51 -3.33 0.00 0.00 175.10 174.04 3kiy s ASP 20 N 1.46 7.00 0.00 3.54 1.47 -1.26 -1.54 116.67 127.35 3kiy s ASP 20 Ca -0.06 1.19 0.00 0.00 1.18 0.00 0.00 52.55 54.86 3kiy s ASP 20 Cb -0.12 -2.35 -0.00 0.00 -0.34 0.00 0.00 42.92 40.11 3kiy s ASP 20 CO -0.05 0.20 0.00 1.33 0.68 0.00 0.00 175.17 177.33 3kiy n VAL 21 N 2.19 0.00 -3.35 2.11 0.24 -0.34 -4.88 118.33 114.30 3kiy n VAL 21 Ca -0.09 -0.03 -0.38 0.00 -2.04 0.00 0.00 64.34 61.80 3kiy n VAL 21 Cb 0.51 0.01 -0.06 0.00 -1.47 0.00 0.00 33.84 32.83 3kiy n VAL 21 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 3kiy s LYS 22 N -2.02 4.14 0.02 7.34 1.02 -1.26 -3.56 119.74 125.42 3kiy s LYS 22 Ca 0.00 0.58 -0.04 0.00 0.02 0.00 0.00 55.97 56.53 3kiy s LYS 22 Cb 0.00 -3.27 -0.01 0.00 -0.52 0.00 0.00 37.83 34.03 3kiy s LYS 22 CO 0.00 0.55 0.95 -2.30 -0.92 0.00 0.00 175.35 173.63 3kiy n PRO 23 N 2.16 -0.06 -0.30 -1.68 -0.02 -1.26 -0.95 135.00 132.89 3kiy n PRO 23 Ca -0.11 0.94 0.14 0.00 -2.02 0.00 0.00 63.50 62.45 3kiy n PRO 23 Cb 0.51 -1.41 0.27 0.00 -0.02 0.00 0.00 33.50 32.86 3kiy n PRO 23 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kiy n GLY 24 N -1.04 -1.15 0.17 -1.23 0.00 -1.26 0.89 105.19 101.58 3kiy n GLY 24 Ca 0.00 0.85 -0.14 0.00 0.00 0.00 0.00 46.02 46.73 3kiy n GLY 24 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3kiy h TYR 25 N 0.00 -0.32 -0.30 1.61 -0.00 -1.43 -0.09 116.97 116.44 3kiy h TYR 25 Ca 0.54 -0.01 -0.06 0.00 -0.00 0.00 0.00 58.73 59.20 3kiy h TYR 25 Cb 1.15 0.11 -0.01 0.00 -0.00 0.00 0.00 36.73 37.98 3kiy h TYR 25 CO -0.42 -0.06 -0.06 0.00 -0.00 0.00 0.00 178.16 177.62 3kiy h ALA 26 N 0.13 0.41 -0.54 1.82 0.00 -0.23 0.05 119.26 120.89 3kiy h ALA 26 Ca -0.04 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 3kiy h ALA 26 Cb 0.40 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3kiy h ALA 26 CO 0.06 0.22 0.06 -0.09 0.00 0.00 0.00 179.25 179.50 3kiy h ARG 27 N 0.33 0.87 -0.20 0.00 2.43 0.48 -1.69 114.38 116.61 3kiy h ARG 27 Ca 0.08 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 3kiy h ARG 27 Cb 0.54 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 3kiy h ARG 27 CO 0.03 0.83 0.00 0.09 -1.51 0.00 0.00 179.97 179.41 3kiy n ASN 28 N -4.23 2.80 0.05 -3.80 3.02 -0.05 -4.39 115.26 108.66 3kiy n ASN 28 Ca 0.03 -2.32 0.00 0.00 -0.03 0.00 0.00 54.58 52.27 3kiy n ASN 28 Cb 0.28 -0.25 0.00 0.00 -0.61 0.00 0.00 39.78 39.19 3kiy n ASN 28 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kiy n TYR 29 N -0.17 -1.20 0.00 3.10 9.36 -0.03 -4.85 117.16 123.36 3kiy n TYR 29 Ca 0.11 0.20 0.00 0.00 3.32 0.00 0.00 57.90 61.53 3kiy n TYR 29 Cb 0.49 0.72 0.00 0.00 -0.63 0.00 0.00 39.34 39.92 3kiy n TYR 29 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 3kiy n LEU 30 N -2.78 0.00 -0.32 2.98 4.77 -0.97 -0.57 117.00 120.10 3kiy n LEU 30 Ca 0.00 0.24 0.14 0.00 -0.03 0.00 0.00 56.01 56.36 3kiy n LEU 30 Cb 0.00 0.00 0.29 0.00 -2.33 0.00 0.00 43.42 41.38 3kiy n LEU 30 CO 0.00 0.00 0.84 -0.07 -1.33 0.00 0.00 177.39 176.83 3kiy h LEU 31 N 0.00 -0.34 0.30 2.23 4.07 -1.47 0.14 115.31 120.24 3kiy h LEU 31 Ca 0.00 0.25 0.00 0.00 0.08 0.00 0.00 57.88 58.22 3kiy h LEU 31 Cb 0.00 0.42 -0.03 0.00 1.08 0.00 0.00 40.66 42.13 3kiy h LEU 31 CO 0.00 -0.30 -0.39 -0.65 -1.08 0.00 0.00 178.44 176.02 3kiy h PRO 32 N 0.05 -0.72 0.00 1.13 0.11 -1.71 -0.50 132.00 130.37 3kiy h PRO 32 Ca 0.58 0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.74 3kiy h PRO 32 Cb 1.20 0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.47 3kiy h PRO 32 CO -0.84 -0.48 0.00 0.54 -0.21 0.00 0.00 178.00 177.02 3kiy n ARG 33 N -5.48 0.89 -3.14 1.05 1.74 0.26 -4.91 116.66 107.07 3kiy n ARG 33 Ca -0.09 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.90 3kiy n ARG 33 Cb 0.38 -1.18 0.01 0.00 -1.02 0.00 0.00 32.46 30.65 3kiy n ARG 33 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kiy n GLY 34 N 0.52 -1.17 0.42 -0.13 0.00 0.34 -4.94 105.19 100.24 3kiy n GLY 34 Ca 0.08 0.75 0.01 0.00 0.00 0.00 0.00 46.02 46.86 3kiy n GLY 34 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kiy n LEU 35 N -1.39 0.31 0.00 0.99 4.77 -0.85 -4.98 117.00 115.85 3kiy n LEU 35 Ca -0.02 -1.23 0.00 0.00 -0.03 0.00 0.00 56.01 54.73 3kiy n LEU 35 Cb 0.53 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 3kiy n LEU 35 CO 0.53 0.30 0.00 0.00 -1.33 0.00 0.00 177.39 176.89 3kiy n ALA 36 N -0.18 0.00 -2.50 -1.18 0.00 -1.26 -3.40 120.51 111.98 3kiy n ALA 36 Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.37 3kiy n ALA 36 Cb 0.68 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.05 3kiy n ALA 36 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3kiy s VAL 37 N -2.00 0.10 0.05 0.00 1.01 0.42 -4.20 120.40 115.78 3kiy s VAL 37 Ca 0.00 -1.51 -0.30 0.00 0.00 0.00 0.00 61.98 60.16 3kiy s VAL 37 Cb 0.00 -1.78 -0.08 0.00 0.00 0.00 0.00 36.38 34.51 3kiy s VAL 37 CO 0.00 -0.45 1.73 -0.76 0.00 0.00 0.00 175.10 175.62 3kiy s LEU 38 N -2.97 4.37 -0.46 3.92 1.43 -1.26 -1.17 118.68 122.55 3kiy s LEU 38 Ca 0.16 2.52 -0.04 0.00 -1.03 0.00 0.00 54.13 55.74 3kiy s LEU 38 Cb 0.05 -3.55 -0.08 0.00 0.03 0.00 0.00 46.19 42.63 3kiy s LEU 38 CO -0.02 -0.94 2.02 0.00 0.23 0.00 0.00 176.35 177.64 3kiy n ALA 39 N 6.12 4.03 -1.70 4.21 0.00 -1.11 -4.73 120.51 127.35 3kiy n ALA 39 Ca 0.17 -1.40 -0.33 0.00 0.00 0.00 0.00 53.44 51.88 3kiy n ALA 39 Cb 0.41 -2.66 0.00 0.00 0.00 0.00 0.00 19.45 17.20 3kiy n ALA 39 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3kiy s THR 40 N 2.89 3.77 0.27 0.00 -4.23 -1.26 -4.71 115.64 112.37 3kiy s THR 40 Ca 0.34 0.90 -0.01 0.00 -1.18 0.00 0.00 61.69 61.75 3kiy s THR 40 Cb 0.12 -3.39 0.26 0.00 1.34 0.00 0.00 72.50 70.83 3kiy s THR 40 CO -0.02 -0.43 1.71 -0.33 -0.54 0.00 0.00 174.62 175.00 3kiy h GLU 41 N 0.70 0.38 0.02 3.99 5.08 -1.97 0.95 114.58 123.72 3kiy h GLU 41 Ca -0.48 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 57.88 3kiy h GLU 41 Cb 1.22 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 30.33 3kiy h GLU 41 CO 0.58 0.25 -0.52 1.03 -1.00 0.00 0.00 179.01 179.35 3kiy h SER 42 N 0.39 -1.60 0.71 1.42 0.87 -1.94 -0.55 113.55 112.84 3kiy h SER 42 Ca 0.48 0.18 -0.13 0.00 -1.23 0.00 0.00 61.79 61.09 3kiy h SER 42 Cb 0.84 0.61 -0.02 0.00 -0.44 0.00 0.00 62.40 63.39 3kiy h SER 42 CO -0.49 -0.52 -0.64 0.78 -0.53 0.00 0.00 176.83 175.43 3kiy h ASN 43 N -0.67 0.00 -0.29 6.23 2.35 -1.54 -2.62 115.58 119.04 3kiy h ASN 43 Ca 0.02 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.72 3kiy h ASN 43 Cb 0.72 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.08 3kiy h ASN 43 CO -0.35 0.64 0.02 0.25 -1.65 0.00 0.00 177.43 176.34 3kiy h LEU 44 N 0.00 0.48 -0.01 1.61 5.85 0.13 -0.45 115.31 122.93 3kiy h LEU 44 Ca -0.01 -0.29 -0.27 0.00 0.84 0.00 0.00 57.88 58.16 3kiy h LEU 44 Cb 1.17 -0.13 0.02 0.00 0.37 0.00 0.00 40.66 42.09 3kiy h LEU 44 CO 0.08 0.66 -1.07 0.07 -0.34 0.00 0.00 178.44 177.84 3kiy h LYS 45 N 0.30 0.60 -0.00 1.25 2.10 -1.19 -2.88 116.57 116.74 3kiy h LYS 45 Ca 0.08 -0.69 0.00 0.00 -2.00 0.00 0.00 60.65 58.05 3kiy h LYS 45 Cb 0.40 0.21 -0.00 0.00 -0.90 0.00 0.00 32.23 31.93 3kiy h LYS 45 CO 0.01 1.28 0.08 0.00 -2.00 0.00 0.00 179.45 178.82 3kiy h ALA 46 N 0.47 1.11 0.09 0.07 0.00 -1.39 -1.70 119.26 117.91 3kiy h ALA 46 Ca -0.13 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 3kiy h ALA 46 Cb 1.73 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.52 3kiy h ALA 46 CO 0.20 -0.08 -0.04 1.25 0.00 0.00 0.00 179.25 180.58 3kiy h LEU 47 N 0.00 -0.11 -0.99 0.00 5.85 -0.85 -3.26 115.31 115.95 3kiy h LEU 47 Ca 0.00 0.00 0.34 0.00 0.84 0.00 0.00 57.88 59.06 3kiy h LEU 47 Cb 0.16 0.03 -0.16 0.00 0.37 0.00 0.00 40.66 41.06 3kiy h LEU 47 CO -0.00 -0.02 0.48 -0.08 -0.34 0.00 0.00 178.44 178.48 3kiy h GLU 48 N -0.23 0.18 -0.28 1.25 4.81 -1.41 1.17 114.58 120.07 3kiy h GLU 48 Ca -0.01 -0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.29 3kiy h GLU 48 Cb 0.10 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 3kiy h GLU 48 CO 0.02 0.12 0.34 0.00 -0.73 0.00 0.00 179.01 178.76 3kiy h ALA 49 N 1.90 1.92 -0.11 2.92 0.00 -1.39 0.59 119.26 125.10 3kiy h ALA 49 Ca 0.74 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.64 3kiy h ALA 49 Cb 1.76 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.57 3kiy h ALA 49 CO -0.69 -0.48 0.00 -2.13 0.00 0.00 0.00 179.25 175.95 3kiy n ARG 50 N -3.68 1.58 -0.00 0.00 0.63 0.40 -3.81 116.66 111.78 3kiy n ARG 50 Ca 0.04 -1.64 -0.00 0.00 -0.92 0.00 0.00 57.85 55.33 3kiy n ARG 50 Cb 0.48 -1.34 -0.00 0.00 0.45 0.00 0.00 32.46 32.05 3kiy n ARG 50 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 3kiy h ILE 51 N 3.24 0.00 -0.50 5.15 1.08 0.81 -3.37 117.51 123.93 3kiy h ILE 51 Ca 0.00 -0.04 0.02 0.00 -0.39 0.00 0.00 64.86 64.46 3kiy h ILE 51 Cb 0.72 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 34.45 3kiy h ILE 51 CO 0.00 0.00 0.33 0.03 -0.69 0.00 0.00 178.15 177.82 3kiy h ARG 52 N -0.04 0.58 0.00 2.37 3.08 -1.64 -1.29 114.38 117.44 3kiy h ARG 52 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3kiy h ARG 52 Cb 0.02 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 29.94 3kiy h ARG 52 CO 0.00 0.38 0.00 0.00 -1.07 0.00 0.00 179.97 179.28 3kiy n ALA 53 N -2.47 1.86 0.00 0.04 0.00 -1.25 -1.02 120.51 117.67 3kiy n ALA 53 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3kiy n ALA 53 Cb 0.12 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.54 3kiy n ALA 53 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3kiy n GLN 54 N -0.59 2.44 -0.03 0.00 7.27 -0.50 -4.30 117.38 121.68 3kiy n GLN 54 Ca 0.01 0.00 -0.16 0.00 0.07 0.00 0.00 57.00 56.92 3kiy n GLN 54 Cb 0.01 -0.84 -0.13 0.00 2.41 0.00 0.00 30.24 31.68 3kiy n GLN 54 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3kiy h ALA 55 N 0.00 -0.03 0.00 1.69 0.00 -1.24 -2.39 119.26 117.30 3kiy h ALA 55 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.35 3kiy h ALA 55 Cb 0.45 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3kiy h ALA 55 CO 0.00 0.13 0.00 1.17 0.00 0.00 0.00 179.25 180.55 3kiy n LYS 56 N -4.44 0.00 0.00 0.00 4.81 -0.19 0.19 118.16 118.53 3kiy n LYS 56 Ca -0.11 0.10 0.12 0.00 -0.87 0.00 0.00 58.31 57.55 3kiy n LYS 56 Cb 0.59 -1.50 0.24 0.00 0.02 0.00 0.00 35.03 34.38 3kiy n LYS 56 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 3kiy n ARG 57 N -1.51 0.01 -0.00 1.64 0.63 -1.20 -3.37 116.66 112.86 3kiy n ARG 57 Ca 0.06 0.00 0.01 0.00 -0.92 0.00 0.00 57.85 57.00 3kiy n ARG 57 Cb 0.27 -1.51 -0.01 0.00 0.45 0.00 0.00 32.46 31.67 3kiy n ARG 57 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 3kiy n LEU 58 N -1.52 0.06 -1.18 6.15 0.00 0.08 -4.27 117.00 116.31 3kiy n LEU 58 Ca 0.05 -0.34 -0.04 0.00 0.00 0.00 0.00 56.01 55.69 3kiy n LEU 58 Cb 0.34 0.00 0.04 0.00 0.00 0.00 0.00 43.42 43.80 3kiy n LEU 58 CO 0.35 0.01 0.61 0.00 0.00 0.00 0.00 177.39 178.37 3kiy n ALA 59 N -1.21 3.05 0.00 1.96 0.00 0.50 -1.19 120.51 123.63 3kiy n ALA 59 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.91 3kiy n ALA 59 Cb 0.03 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.41 3kiy n ALA 59 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3kiy n GLU 60 N 0.18 1.34 0.03 0.00 2.13 -1.26 -4.38 120.64 118.68 3kiy n GLU 60 Ca 0.11 0.00 0.12 0.00 0.66 0.00 0.00 57.16 58.04 3kiy n GLU 60 Cb 0.69 -0.56 0.12 0.00 0.27 0.00 0.00 31.44 31.96 3kiy n GLU 60 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3kiy n ARG 61 N -0.60 0.19 -1.99 5.31 5.12 -0.74 -2.33 116.66 121.62 3kiy n ARG 61 Ca 0.00 0.02 -0.03 0.00 -1.93 0.00 0.00 57.85 55.91 3kiy n ARG 61 Cb 0.05 -1.58 0.06 0.00 -1.16 0.00 0.00 32.46 29.83 3kiy n ARG 61 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 3kiy n LYS 62 N -1.84 1.65 0.00 5.56 4.81 -0.33 -4.03 118.16 123.99 3kiy n LYS 62 Ca 0.03 -3.22 0.00 0.00 -0.87 0.00 0.00 58.31 54.25 3kiy n LYS 62 Cb 0.40 -1.33 0.00 0.00 0.02 0.00 0.00 35.03 34.12 3kiy n LYS 62 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3kiy n ALA 63 N -0.41 2.18 -0.05 3.14 0.00 -1.25 -4.73 120.51 119.39 3kiy n ALA 63 Ca 0.16 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.45 3kiy n ALA 63 Cb 0.91 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 20.22 3kiy n ALA 63 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3kiy n GLU 64 N -1.73 0.69 0.10 0.00 4.07 -0.98 -3.56 120.64 119.22 3kiy n GLU 64 Ca 0.00 0.21 0.10 0.00 -0.06 0.00 0.00 57.16 57.40 3kiy n GLU 64 Cb 0.00 -1.66 0.42 0.00 -0.06 0.00 0.00 31.44 30.14 3kiy n GLU 64 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3kiy n ALA 65 N -2.89 1.49 -1.03 4.31 0.00 -1.25 -1.37 120.51 119.77 3kiy n ALA 65 Ca -0.31 0.07 0.08 0.00 0.00 0.00 0.00 53.44 53.28 3kiy n ALA 65 Cb 1.06 -1.31 0.25 0.00 0.00 0.00 0.00 19.45 19.45 3kiy n ALA 65 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3kiy n GLU 66 N -2.01 2.79 -0.09 0.00 -0.58 -1.25 -3.87 120.64 115.64 3kiy n GLU 66 Ca 0.02 -2.86 -0.08 0.00 -0.42 0.00 0.00 57.16 53.82 3kiy n GLU 66 Cb 0.16 -1.83 -0.14 0.00 -0.57 0.00 0.00 31.44 29.05 3kiy n GLU 66 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 3kiy n ARG 67 N -0.59 1.03 0.30 3.49 0.63 -0.47 -3.94 116.66 117.12 3kiy n ARG 67 Ca 0.22 -0.01 0.20 0.00 -0.92 0.00 0.00 57.85 57.33 3kiy n ARG 67 Cb 0.90 -1.46 0.92 0.00 0.45 0.00 0.00 32.46 33.26 3kiy n ARG 67 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 3kiy h LEU 68 N 0.00 0.00 0.00 6.15 6.46 -1.65 -3.26 115.31 123.01 3kiy h LEU 68 Ca -0.48 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.28 3kiy h LEU 68 Cb 2.08 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 42.01 3kiy h LEU 68 CO 0.03 0.01 0.00 1.17 -0.62 0.00 0.00 178.44 179.02 3kiy n LYS 69 N -3.12 0.00 -0.53 1.25 4.81 -1.25 -2.47 118.16 116.84 3kiy n LYS 69 Ca -0.01 0.05 -0.11 0.00 -0.87 0.00 0.00 58.31 57.37 3kiy n LYS 69 Cb 0.20 -1.02 -0.05 0.00 0.02 0.00 0.00 35.03 34.17 3kiy n LYS 69 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 3kiy n GLU 70 N -0.60 1.28 0.00 1.64 1.02 -1.23 -3.29 120.64 119.45 3kiy n GLU 70 Ca 0.00 -0.81 0.00 0.00 -0.02 0.00 0.00 57.16 56.33 3kiy n GLU 70 Cb 0.00 -2.00 0.00 0.00 -0.02 0.00 0.00 31.44 29.42 3kiy n GLU 70 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3kiy n ILE 71 N 3.40 0.00 -0.11 -3.67 5.41 -1.23 -4.98 119.36 118.19 3kiy n ILE 71 Ca 0.27 0.00 -0.06 0.00 1.00 0.00 0.00 62.75 63.96 3kiy n ILE 71 Cb 0.30 0.00 0.03 0.00 -0.71 0.00 0.00 39.64 39.26 3kiy n ILE 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3kiy n LEU 72 N -0.60 4.88 -0.01 1.39 -0.00 -1.03 -2.98 117.00 118.65 3kiy n LEU 72 Ca 0.00 -2.40 -0.03 0.00 -0.00 0.00 0.00 56.01 53.57 3kiy n LEU 72 Cb 0.00 -0.85 -0.01 0.00 -0.00 0.00 0.00 43.42 42.56 3kiy n LEU 72 CO 0.00 0.88 -0.49 -1.84 -0.00 0.00 0.00 177.39 175.93 3kiy n GLU 73 N 0.59 0.08 0.05 1.47 0.28 -1.21 -4.74 120.64 117.17 3kiy n GLU 73 Ca 0.13 0.03 -0.20 0.00 -0.16 0.00 0.00 57.16 56.96 3kiy n GLU 73 Cb 0.64 -0.63 -0.15 0.00 1.43 0.00 0.00 31.44 32.73 3kiy n GLU 73 CO 0.00 0.00 0.00 -2.95 -0.16 0.00 0.00 177.13 174.02 3kiy h ASN 74 N -0.14 0.48 0.00 -1.84 -0.00 -1.77 -3.23 115.58 109.09 3kiy h ASN 74 Ca -0.07 -0.95 0.00 0.00 -0.00 0.00 0.00 56.30 55.28 3kiy h ASN 74 Cb 0.84 -0.15 0.00 0.00 -0.00 0.00 0.00 38.32 39.00 3kiy h ASN 74 CO -0.04 1.39 0.00 0.18 -0.00 0.00 0.00 177.43 178.96 3kiy n LEU 75 N -4.12 0.00 -0.23 6.14 4.32 -1.16 -4.87 117.00 117.08 3kiy n LEU 75 Ca -0.14 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.85 3kiy n LEU 75 Cb 0.82 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.62 3kiy n LEU 75 CO 0.49 0.00 0.00 1.07 -1.22 0.00 0.00 177.39 177.73 3kiy n THR 76 N -0.78 0.00 -2.83 -5.08 5.66 -1.22 -4.80 114.28 105.23 3kiy n THR 76 Ca 0.00 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.59 3kiy n THR 76 Cb 0.00 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 68.74 3kiy n THR 76 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 3kiy s LEU 77 N -1.42 4.31 -0.76 1.09 0.20 -1.26 -5.00 118.68 115.83 3kiy s LEU 77 Ca 0.00 1.43 0.03 0.00 0.69 0.00 0.00 54.13 56.28 3kiy s LEU 77 Cb 0.00 -3.38 0.19 0.00 -0.43 0.00 0.00 46.19 42.57 3kiy s LEU 77 CO 0.00 -0.27 0.61 0.41 -0.29 0.00 0.00 176.35 176.81 3kiy n THR 78 N 4.10 2.13 -3.44 3.68 -1.04 -1.26 -4.43 114.28 114.02 3kiy n THR 78 Ca 0.04 -4.98 -0.40 0.00 -2.04 0.00 0.00 64.05 56.67 3kiy n THR 78 Cb 0.50 -2.24 -0.10 0.00 -1.82 0.00 0.00 70.33 66.68 3kiy n THR 78 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3kiy s ILE 79 N -1.54 5.20 -1.27 12.58 -1.09 -1.26 -4.82 121.20 129.00 3kiy s ILE 79 Ca 0.27 0.15 -0.09 0.00 -2.23 0.00 0.00 60.65 58.74 3kiy s ILE 79 Cb -0.04 -3.74 0.17 0.00 -1.58 0.00 0.00 42.46 37.28 3kiy s ILE 79 CO -0.15 0.02 1.84 -0.81 -1.23 0.00 0.00 174.94 174.62 3kiy n PRO 80 N 5.29 3.64 -1.93 2.79 -0.04 -1.26 -4.14 135.00 139.35 3kiy n PRO 80 Ca -0.10 -3.58 -0.29 0.00 -0.04 0.00 0.00 63.50 59.49 3kiy n PRO 80 Cb 0.50 -2.92 0.07 0.00 -0.04 0.00 0.00 33.50 31.11 3kiy n PRO 80 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3kiy s VAL 81 N 0.33 2.76 -0.46 0.52 0.11 -1.26 -5.02 120.40 117.37 3kiy s VAL 81 Ca 0.39 0.21 -0.02 0.00 -2.93 0.00 0.00 61.98 59.63 3kiy s VAL 81 Cb 0.09 -3.24 0.12 0.00 -1.53 0.00 0.00 36.38 31.83 3kiy s VAL 81 CO 0.01 -0.31 0.26 -0.13 -3.33 0.00 0.00 175.10 171.60 3kiy s ARG 82 N -5.44 2.11 0.20 1.54 0.52 -1.26 -4.05 118.95 112.57 3kiy s ARG 82 Ca 0.60 -2.04 0.01 0.00 -0.52 0.00 0.00 55.73 53.78 3kiy s ARG 82 Cb -0.11 -3.58 -0.01 0.00 0.52 0.00 0.00 34.95 31.77 3kiy s ARG 82 CO 0.50 -1.09 0.05 0.00 0.02 0.00 0.00 175.30 174.78 3kiy n ALA 83 N 4.22 0.25 -2.96 2.13 0.00 -1.25 -1.23 120.51 121.67 3kiy n ALA 83 Ca 0.01 -0.99 0.03 0.00 0.00 0.00 0.00 53.44 52.49 3kiy n ALA 83 Cb 0.40 0.63 0.00 0.00 0.00 0.00 0.00 19.45 20.48 3kiy n ALA 83 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3kiy s GLY 84 N -2.20 -1.32 0.00 0.00 0.00 -1.26 -1.26 107.32 101.28 3kiy s GLY 84 Ca 0.07 1.37 0.00 0.00 0.00 0.00 0.00 44.72 46.16 3kiy s GLY 84 CO 0.05 4.13 0.00 -2.21 0.00 0.00 0.00 173.10 175.07 3kiy n GLU 85 N 4.29 0.00 -3.17 2.90 0.00 -1.26 -4.50 120.64 118.89 3kiy n GLU 85 Ca 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 57.16 57.01 3kiy n GLU 85 Cb 0.60 0.00 -0.05 0.00 0.00 0.00 0.00 31.44 31.99 3kiy n GLU 85 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.13 174.76 3kiy n THR 86 N 0.00 0.75 0.00 6.31 5.66 -1.26 -4.56 114.28 121.18 3kiy n THR 86 Ca 0.00 -4.74 0.00 0.00 -3.05 0.00 0.00 64.05 56.26 3kiy n THR 86 Cb 0.00 -1.22 0.00 0.00 -1.55 0.00 0.00 70.33 67.56 3kiy n THR 86 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 3kiy n LYS 87 N 0.55 0.00 -1.17 1.09 4.81 -1.26 -4.54 118.16 117.63 3kiy n LYS 87 Ca 0.26 0.00 -0.37 0.00 -0.87 0.00 0.00 58.31 57.33 3kiy n LYS 87 Cb 0.53 0.00 0.04 0.00 0.02 0.00 0.00 35.03 35.62 3kiy n LYS 87 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 3kiy n ILE 88 N 0.00 0.46 -2.76 3.15 5.41 -1.26 -4.33 119.36 120.03 3kiy n ILE 88 Ca 0.00 -0.47 -0.42 0.00 1.00 0.00 0.00 62.75 62.86 3kiy n ILE 88 Cb 0.00 -0.20 0.01 0.00 -0.71 0.00 0.00 39.64 38.74 3kiy n ILE 88 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 3kiy n TYR 89 N -2.05 2.46 0.00 1.39 4.01 -0.36 -4.02 117.16 118.58 3kiy n TYR 89 Ca 0.06 -2.61 0.00 0.00 -0.16 0.00 0.00 57.90 55.19 3kiy n TYR 89 Cb 0.50 -1.38 0.00 0.00 -0.31 0.00 0.00 39.34 38.15 3kiy n TYR 89 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kiy n GLY 90 N 1.29 -0.07 7.00 2.72 0.00 -1.26 -4.61 105.19 110.25 3kiy n GLY 90 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.37 3kiy n GLY 90 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kiy n SER 91 N 0.00 0.00 0.00 1.61 3.41 -1.26 -4.82 113.62 112.56 3kiy n SER 91 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3kiy n SER 91 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3kiy n SER 91 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3kiy n VAL 92 N 0.00 0.00 -3.60 -3.33 0.31 -1.26 -4.15 118.33 106.29 3kiy n VAL 92 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.28 3kiy n VAL 92 Cb 0.00 0.00 0.02 0.00 -0.91 0.00 0.00 33.84 32.95 3kiy n VAL 92 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3kiy n THR 93 N 0.00 0.00 -0.10 2.52 -2.24 -1.26 -2.57 114.28 110.63 3kiy n THR 93 Ca 0.00 -0.57 0.25 0.00 -2.27 0.00 0.00 64.05 61.47 3kiy n THR 93 Cb 0.00 0.61 0.71 0.00 -2.10 0.00 0.00 70.33 69.56 3kiy n THR 93 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kiy h ALA 94 N 2.00 2.68 0.00 6.98 0.00 -1.84 3.93 119.26 133.01 3kiy h ALA 94 Ca -0.21 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 3kiy h ALA 94 Cb 0.82 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 3kiy h ALA 94 CO 0.27 -0.93 -0.17 0.87 0.00 0.00 0.00 179.25 179.29 3kiy h LYS 95 N 0.00 0.00 0.00 0.00 1.57 -1.90 2.40 116.57 118.65 3kiy h LYS 95 Ca 0.35 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.12 3kiy h LYS 95 Cb 1.44 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.75 3kiy h LYS 95 CO -0.00 0.17 -0.48 -0.25 -0.57 0.00 0.00 179.45 178.32 3kiy n ASP 96 N -3.96 1.38 0.00 0.86 8.00 0.48 -4.29 116.55 119.03 3kiy n ASP 96 Ca -0.02 0.21 0.00 0.00 0.71 0.00 0.00 54.79 55.69 3kiy n ASP 96 Cb 0.26 -0.48 0.00 0.00 -0.02 0.00 0.00 41.12 40.88 3kiy n ASP 96 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 3kiy n ILE 97 N -3.84 0.00 -0.34 0.53 5.41 1.19 -1.06 119.36 121.26 3kiy n ILE 97 Ca -0.07 1.07 0.21 0.00 1.00 0.00 0.00 62.75 64.96 3kiy n ILE 97 Cb 0.24 -2.04 0.44 0.00 -0.71 0.00 0.00 39.64 37.56 3kiy n ILE 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3kiy h ALA 98 N -1.99 1.87 -3.00 -1.39 0.00 -1.38 0.27 119.26 113.63 3kiy h ALA 98 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3kiy h ALA 98 Cb 0.00 0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3kiy h ALA 98 CO 0.00 -0.46 0.00 -1.91 0.00 0.00 0.00 179.25 176.88 3kiy n GLU 99 N -5.00 0.00 -0.33 0.00 2.13 0.80 -2.67 120.64 115.58 3kiy n GLU 99 Ca 0.30 0.07 0.25 0.00 0.66 0.00 0.00 57.16 58.44 3kiy n GLU 99 Cb 0.89 -0.68 0.48 0.00 0.27 0.00 0.00 31.44 32.40 3kiy n GLU 99 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3kiy h ALA 100 N -2.24 1.88 -0.80 4.31 0.00 -0.87 0.35 119.26 121.89 3kiy h ALA 100 Ca 0.00 0.25 0.32 0.00 0.00 0.00 0.00 54.91 55.48 3kiy h ALA 100 Cb 0.00 0.30 -0.14 0.00 0.00 0.00 0.00 17.79 17.95 3kiy h ALA 100 CO 0.00 -0.73 0.38 1.28 0.00 0.00 0.00 179.25 180.18 3kiy n LEU 101 N -5.22 0.23 -0.08 0.00 4.32 0.92 0.32 117.00 117.50 3kiy n LEU 101 Ca 0.32 1.33 -0.08 0.00 -0.02 0.00 0.00 56.01 57.56 3kiy n LEU 101 Cb 1.06 -0.63 -0.01 0.00 -1.62 0.00 0.00 43.42 42.22 3kiy n LEU 101 CO 0.03 -1.47 0.94 0.28 -1.22 0.00 0.00 177.39 175.95 3kiy h SER 102 N 0.00 0.15 -0.97 -1.43 0.02 0.32 -3.06 113.55 108.58 3kiy h SER 102 Ca 0.65 0.02 0.06 0.00 -0.84 0.00 0.00 61.79 61.68 3kiy h SER 102 Cb 1.69 -0.00 -0.06 0.00 0.14 0.00 0.00 62.40 64.17 3kiy h SER 102 CO -0.63 0.12 0.63 0.03 -1.14 0.00 0.00 176.83 175.84 3kiy h ARG 103 N 0.26 1.12 -0.52 3.45 3.08 0.50 0.63 114.38 122.89 3kiy h ARG 103 Ca 0.12 -0.07 0.15 0.00 0.07 0.00 0.00 59.98 60.25 3kiy h ARG 103 Cb 0.07 -0.25 -0.10 0.00 0.08 0.00 0.00 29.97 29.77 3kiy h ARG 103 CO -0.11 0.74 0.02 0.94 -1.07 0.00 0.00 179.97 180.49 3kiy n GLN 104 N -4.48 -0.04 0.00 0.04 7.27 -1.09 -3.99 117.38 115.08 3kiy n GLN 104 Ca 0.14 0.78 0.00 0.00 0.07 0.00 0.00 57.00 57.99 3kiy n GLN 104 Cb 0.16 -1.25 0.00 0.00 2.41 0.00 0.00 30.24 31.57 3kiy n GLN 104 CO 0.00 0.00 0.00 -2.39 0.07 0.00 0.00 177.06 174.74 3kiy n HIS 105 N -4.61 0.00 -0.81 3.69 1.44 -1.23 -5.02 115.22 108.68 3kiy n HIS 105 Ca 0.13 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.84 3kiy n HIS 105 Cb 0.41 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.52 3kiy n HIS 105 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3kiy n GLY 106 N 0.00 0.44 3.16 -1.39 0.00 0.20 -5.09 105.19 102.52 3kiy n GLY 106 Ca 0.00 -0.48 -0.35 0.00 0.00 0.00 0.00 46.02 45.20 3kiy n GLY 106 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kiy s VAL 107 N -2.54 2.93 0.27 1.61 1.01 -0.16 -4.98 120.40 118.53 3kiy s VAL 107 Ca 0.00 -1.42 -0.29 0.00 0.00 0.00 0.00 61.98 60.27 3kiy s VAL 107 Cb 0.00 -2.70 -0.09 0.00 0.00 0.00 0.00 36.38 33.59 3kiy s VAL 107 CO 0.00 -0.12 1.02 -0.89 0.00 0.00 0.00 175.10 175.11 3kiy s THR 108 N 1.24 3.78 0.00 3.92 2.01 -1.26 -2.03 115.64 123.30 3kiy s THR 108 Ca -0.05 1.75 0.00 0.00 0.31 0.00 0.00 61.69 63.70 3kiy s THR 108 Cb -0.20 -4.09 0.00 0.00 0.01 0.00 0.00 72.50 68.22 3kiy s THR 108 CO -0.01 0.38 0.00 -0.38 -0.69 0.00 0.00 174.62 173.92 3kiy n ILE 109 N 1.20 0.00 -4.47 1.82 -0.00 -1.26 -5.00 119.36 111.64 3kiy n ILE 109 Ca -0.01 0.00 -0.25 0.00 -0.00 0.00 0.00 62.75 62.49 3kiy n ILE 109 Cb 0.46 0.00 -0.08 0.00 -0.00 0.00 0.00 39.64 40.02 3kiy n ILE 109 CO 0.00 0.00 0.00 -1.81 -0.00 0.00 0.00 176.55 174.74 3kiy s ASP 110 N -0.22 2.59 0.06 4.38 1.01 -1.26 -5.08 116.67 118.16 3kiy s ASP 110 Ca 0.00 -1.71 -0.04 0.00 0.71 0.00 0.00 52.55 51.51 3kiy s ASP 110 Cb 0.00 0.55 -0.28 0.00 1.01 0.00 0.00 42.92 44.20 3kiy s ASP 110 CO 0.00 -0.98 1.10 1.55 0.21 0.00 0.00 175.17 177.05 3kiy h PRO 111 N 1.84 0.26 0.00 8.23 0.13 -2.01 -3.42 132.00 137.04 3kiy h PRO 111 Ca -0.33 -0.44 0.00 0.00 -0.87 0.00 0.00 66.00 64.36 3kiy h PRO 111 Cb 1.27 0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.56 3kiy h PRO 111 CO 0.52 1.19 0.00 1.63 -0.23 0.00 0.00 178.00 181.11 3kiy n LYS 112 N -3.51 0.00 -0.95 0.86 4.01 -1.26 -3.95 118.16 113.36 3kiy n LYS 112 Ca -0.09 0.00 -0.25 0.00 -0.51 0.00 0.00 58.31 57.45 3kiy n LYS 112 Cb 1.03 -0.12 -0.05 0.00 -0.51 0.00 0.00 35.03 35.38 3kiy n LYS 112 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 3kiy n ARG 113 N 0.00 2.54 0.00 1.97 1.74 -1.26 -3.87 116.66 117.78 3kiy n ARG 113 Ca 0.00 -1.57 0.00 0.00 -0.77 0.00 0.00 57.85 55.51 3kiy n ARG 113 Cb 0.06 -2.45 0.00 0.00 -1.02 0.00 0.00 32.46 29.05 3kiy n ARG 113 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3kiy n LEU 114 N 3.63 0.00 -0.76 0.55 4.77 -1.26 -4.52 117.00 119.41 3kiy n LEU 114 Ca 0.54 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 56.48 3kiy n LEU 114 Cb 0.29 0.08 -0.04 0.00 -2.33 0.00 0.00 43.42 41.42 3kiy n LEU 114 CO 0.64 -0.15 0.20 0.00 -1.33 0.00 0.00 177.39 176.75 3kiy n ALA 115 N -1.44 1.50 -0.92 -1.18 0.00 -1.21 -3.82 120.51 113.43 3kiy n ALA 115 Ca 0.00 -0.38 -0.36 0.00 0.00 0.00 0.00 53.44 52.70 3kiy n ALA 115 Cb 0.00 -0.28 0.07 0.00 0.00 0.00 0.00 19.45 19.23 3kiy n ALA 115 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3kiy n LEU 116 N 0.00 -3.44 0.00 0.00 7.94 -1.25 -4.91 117.00 115.34 3kiy n LEU 116 Ca -0.15 0.06 0.00 0.00 -1.11 0.00 0.00 56.01 54.80 3kiy n LEU 116 Cb 0.50 -0.72 0.00 0.00 0.53 0.00 0.00 43.42 43.73 3kiy n LEU 116 CO -0.08 -3.68 0.00 -0.62 -1.11 0.00 0.00 177.39 171.90 3kiy n GLU 117 N 1.27 0.00 -0.64 1.96 1.02 -1.26 -5.12 120.64 117.86 3kiy n GLU 117 Ca -0.01 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.84 3kiy n GLU 117 Cb 0.66 0.00 0.16 0.00 -0.02 0.00 0.00 31.44 32.24 3kiy n GLU 117 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 3kiy n LYS 118 N 0.00 -1.79 -3.07 3.49 4.81 -1.26 -4.89 118.16 115.45 3kiy n LYS 118 Ca 0.00 -0.51 -0.43 0.00 -0.87 0.00 0.00 58.31 56.50 3kiy n LYS 118 Cb 0.00 -1.59 -0.06 0.00 0.02 0.00 0.00 35.03 33.40 3kiy n LYS 118 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 3kiy s PRO 119 N -3.39 3.38 0.00 1.64 0.04 -1.25 -4.76 135.00 130.67 3kiy s PRO 119 Ca 0.49 -0.22 0.00 0.00 0.04 0.00 0.00 61.00 61.31 3kiy s PRO 119 Cb -0.08 -3.92 0.00 0.00 0.04 0.00 0.00 34.50 30.53 3kiy s PRO 119 CO 0.57 -0.99 0.00 1.51 0.04 0.00 0.00 177.00 178.12 3kiy n ILE 120 N 5.89 0.00 -3.49 0.56 0.13 -1.06 -4.41 119.36 116.97 3kiy n ILE 120 Ca -0.00 0.00 -0.16 0.00 -1.10 0.00 0.00 62.75 61.48 3kiy n ILE 120 Cb 0.48 0.00 -0.03 0.00 -0.84 0.00 0.00 39.64 39.25 3kiy n ILE 120 CO 0.00 0.00 0.00 0.29 2.80 0.00 0.00 176.55 179.64 3kiy n LYS 121 N -0.67 -0.89 0.00 9.51 4.01 -1.26 -4.83 118.16 124.03 3kiy n LYS 121 Ca 0.00 -0.04 0.00 0.00 -0.51 0.00 0.00 58.31 57.76 3kiy n LYS 121 Cb 0.00 -1.37 0.00 0.00 -0.51 0.00 0.00 35.03 33.15 3kiy n LYS 121 CO 0.00 0.00 0.00 -1.91 -1.11 0.00 0.00 177.40 174.38 3kiy n GLU 122 N -2.71 0.00 -2.20 1.97 0.00 -1.26 -4.70 120.64 111.73 3kiy n GLU 122 Ca -0.12 0.00 -0.42 0.00 0.00 0.00 0.00 57.16 56.61 3kiy n GLU 122 Cb 0.31 0.00 -0.03 0.00 0.00 0.00 0.00 31.44 31.72 3kiy n GLU 122 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 3kiy s LEU 123 N 0.00 4.35 0.00 4.31 0.20 -1.26 -4.55 118.68 121.73 3kiy s LEU 123 Ca 0.00 2.24 0.00 0.00 0.69 0.00 0.00 54.13 57.06 3kiy s LEU 123 Cb 0.00 -3.58 0.00 0.00 -0.43 0.00 0.00 46.19 42.18 3kiy s LEU 123 CO 0.00 -0.67 0.00 0.61 -0.29 0.00 0.00 176.35 176.00 3kiy n GLY 124 N 3.54 -0.54 3.08 7.98 0.00 -1.26 -4.80 105.19 113.20 3kiy n GLY 124 Ca 0.12 -0.95 -0.32 0.00 0.00 0.00 0.00 46.02 44.87 3kiy n GLY 124 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kiy s GLU 125 N -1.34 2.73 0.18 1.61 0.41 -1.26 -3.87 118.70 117.16 3kiy s GLU 125 Ca 0.00 -0.75 0.08 0.00 -0.41 0.00 0.00 54.97 53.89 3kiy s GLU 125 Cb 0.00 -2.42 -0.04 0.00 -1.78 0.00 0.00 34.13 29.89 3kiy s GLU 125 CO 0.00 -0.23 -0.16 0.71 -0.49 0.00 0.00 175.26 175.10 3kiy s TYR 126 N 1.36 1.69 -0.05 1.61 4.12 -1.26 -5.08 117.35 119.74 3kiy s TYR 126 Ca 0.05 -0.54 -0.08 0.00 0.02 0.00 0.00 57.07 56.52 3kiy s TYR 126 Cb -0.13 -0.82 0.02 0.00 -1.52 0.00 0.00 41.96 39.50 3kiy s TYR 126 CO -0.12 0.31 0.20 0.08 0.02 0.00 0.00 175.55 176.04 3kiy s VAL 127 N -2.53 0.03 -0.10 0.71 1.01 -1.26 -2.30 120.40 115.94 3kiy s VAL 127 Ca 0.18 -0.24 -0.10 0.00 0.00 0.00 0.00 61.98 61.83 3kiy s VAL 127 Cb -0.03 -0.37 0.03 0.00 0.00 0.00 0.00 36.38 36.01 3kiy s VAL 127 CO 0.06 -0.13 0.28 -0.76 0.00 0.00 0.00 175.10 174.55 3kiy s LEU 128 N -0.44 0.94 0.35 3.92 2.01 -1.05 -5.01 118.68 119.40 3kiy s LEU 128 Ca -0.05 0.56 0.02 0.00 0.01 0.00 0.00 54.13 54.66 3kiy s LEU 128 Cb -0.04 0.95 -0.02 0.00 0.01 0.00 0.00 46.19 47.09 3kiy s LEU 128 CO 0.01 -0.10 0.53 -0.89 1.01 0.00 0.00 176.35 176.91 3kiy s THR 129 N 0.14 4.79 1.19 5.49 2.01 -1.26 -3.80 115.64 124.20 3kiy s THR 129 Ca -0.00 -0.64 -0.19 0.00 0.31 0.00 0.00 61.69 61.17 3kiy s THR 129 Cb -0.02 -3.73 0.28 0.00 0.01 0.00 0.00 72.50 69.04 3kiy s THR 129 CO 0.00 -0.42 1.12 -0.47 -0.69 0.00 0.00 174.62 174.16 3kiy s TYR 130 N -2.28 0.56 -0.16 4.92 6.14 0.57 -3.35 117.35 123.75 3kiy s TYR 130 Ca 0.41 0.49 -0.30 0.00 0.64 0.00 0.00 57.07 58.32 3kiy s TYR 130 Cb -0.10 -3.48 0.12 0.00 0.42 0.00 0.00 41.96 38.92 3kiy s TYR 130 CO 0.34 -3.81 0.95 -1.59 0.64 0.00 0.00 175.55 172.09 3kiy s LYS 131 N -5.43 0.66 0.00 4.97 -2.85 -1.25 -4.41 119.74 111.43 3kiy s LYS 131 Ca 0.71 0.23 0.00 0.00 -1.00 0.00 0.00 55.97 55.91 3kiy s LYS 131 Cb -0.09 0.31 0.00 0.00 -2.06 0.00 0.00 37.83 35.99 3kiy s LYS 131 CO 0.56 -0.19 0.00 -0.35 0.10 0.00 0.00 175.35 175.47 3kiy n PRO 132 N 0.95 3.33 -2.80 1.78 -0.04 -1.26 -4.81 135.00 132.16 3kiy n PRO 132 Ca -0.12 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.10 3kiy n PRO 132 Cb 0.57 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 34.06 3kiy n PRO 132 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 3kiy n HIS 133 N 0.00 -1.70 0.91 0.54 1.44 -1.26 -3.19 115.22 111.97 3kiy n HIS 133 Ca 0.00 0.71 0.10 0.00 -2.01 0.00 0.00 57.72 56.52 3kiy n HIS 133 Cb 0.00 -1.27 -0.12 0.00 0.12 0.00 0.00 29.99 28.72 3kiy n HIS 133 CO 0.00 0.00 0.00 -0.35 -2.81 0.00 0.00 176.34 173.18 3kiy n PRO 134 N -0.46 0.31 0.00 -1.40 -0.04 -1.26 -4.87 135.00 127.29 3kiy n PRO 134 Ca -0.09 -0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 3kiy n PRO 134 Cb 0.46 -1.46 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 3kiy n PRO 134 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3kiy n GLU 135 N -1.51 0.00 -4.67 0.54 0.28 -1.19 -4.99 120.64 109.10 3kiy n GLU 135 Ca 0.03 0.00 -0.24 0.00 -0.16 0.00 0.00 57.16 56.80 3kiy n GLU 135 Cb 0.33 0.00 -0.16 0.00 1.43 0.00 0.00 31.44 33.04 3kiy n GLU 135 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 3kiy s VAL 136 N -2.14 1.18 0.59 3.84 -7.23 -1.26 -5.00 120.40 110.39 3kiy s VAL 136 Ca 0.00 -0.58 -0.14 0.00 -1.81 0.00 0.00 61.98 59.45 3kiy s VAL 136 Cb 0.00 -1.03 -0.04 0.00 0.56 0.00 0.00 36.38 35.87 3kiy s VAL 136 CO 0.00 0.35 1.03 -2.16 -0.31 0.00 0.00 175.10 174.00 3kiy s PRO 137 N 0.10 3.55 -0.18 4.82 0.04 -1.26 -0.31 135.00 141.75 3kiy s PRO 137 Ca -0.03 0.94 -0.29 0.00 0.04 0.00 0.00 61.00 61.66 3kiy s PRO 137 Cb -0.10 -2.07 0.12 0.00 0.04 0.00 0.00 34.50 32.48 3kiy s PRO 137 CO 0.01 -0.61 0.95 -1.50 0.04 0.00 0.00 177.00 175.89 3kiy s ILE 138 N -2.84 0.00 0.00 0.56 2.07 -1.25 -4.09 121.20 115.66 3kiy s ILE 138 Ca 0.58 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.82 3kiy s ILE 138 Cb -0.12 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.47 3kiy s ILE 138 CO 0.43 0.00 0.00 0.00 -1.91 0.00 0.00 174.94 173.46 3kiy n GLN 139 N 1.17 3.72 -3.51 3.50 3.00 -1.26 -2.53 117.38 121.47 3kiy n GLN 139 Ca -0.12 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.74 3kiy n GLN 139 Cb 0.57 0.00 -0.04 0.00 0.00 0.00 0.00 30.24 30.77 3kiy n GLN 139 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 3kiy s LEU 140 N 0.00 -0.51 -0.45 1.08 0.20 -0.97 -4.53 118.68 113.50 3kiy s LEU 140 Ca 0.00 0.35 0.02 0.00 0.69 0.00 0.00 54.13 55.20 3kiy s LEU 140 Cb 0.00 2.29 0.13 0.00 -0.43 0.00 0.00 46.19 48.18 3kiy s LEU 140 CO 0.00 -0.62 0.23 -0.54 -0.29 0.00 0.00 176.35 175.13 3kiy s LYS 141 N -2.07 1.41 -1.41 1.98 -0.14 -1.26 -4.48 119.74 113.76 3kiy s LYS 141 Ca -0.03 -2.09 -0.14 0.00 -1.36 0.00 0.00 55.97 52.35 3kiy s LYS 141 Cb -0.01 -2.53 0.00 0.00 -1.68 0.00 0.00 37.83 33.61 3kiy s LYS 141 CO -0.00 -1.14 2.31 0.28 -0.76 0.00 0.00 175.35 176.03 3kiy n VAL 142 N 3.52 3.41 -0.11 3.17 0.31 -1.25 -4.40 118.33 122.98 3kiy n VAL 142 Ca 0.07 -2.78 -0.12 0.00 -0.01 0.00 0.00 64.34 61.50 3kiy n VAL 142 Cb 0.34 -2.58 0.11 0.00 -0.91 0.00 0.00 33.84 30.81 3kiy n VAL 142 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3kiy n SER 143 N 5.83 -2.75 -3.81 4.52 7.64 -1.26 -4.50 113.62 119.29 3kiy n SER 143 Ca 0.56 -0.33 -0.11 0.00 1.01 0.00 0.00 58.87 60.00 3kiy n SER 143 Cb 0.36 -0.40 -0.08 0.00 -1.01 0.00 0.00 64.21 63.09 3kiy n SER 143 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3kiy s VAL 144 N -1.40 0.10 -2.33 0.44 1.01 -1.26 -3.97 120.40 113.00 3kiy s VAL 144 Ca 0.26 -0.86 0.19 0.00 0.00 0.00 0.00 61.98 61.56 3kiy s VAL 144 Cb -0.05 -1.00 0.15 0.00 0.00 0.00 0.00 36.38 35.48 3kiy s VAL 144 CO 0.21 -0.47 1.09 1.33 0.00 0.00 0.00 175.10 177.26