#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knm s LYS 2 N 0.00 3.91 -0.02 2.12 0.00 -1.26 -2.47 119.74 122.01 3knm s LYS 2 Ca 0.00 1.64 -0.05 0.00 0.00 0.00 0.00 55.97 57.56 3knm s LYS 2 Cb 0.00 -2.43 0.00 0.00 0.00 0.00 0.00 37.83 35.41 3knm s LYS 2 CO 0.00 -0.39 0.11 0.14 0.00 0.00 0.00 175.35 175.21 3knm s VAL 3 N -1.63 0.05 -0.31 1.79 -7.23 -1.18 -1.72 120.40 110.17 3knm s VAL 3 Ca 0.62 -0.42 -0.29 0.00 -1.81 0.00 0.00 61.98 60.08 3knm s VAL 3 Cb -0.25 -0.30 0.01 0.00 0.56 0.00 0.00 36.38 36.40 3knm s VAL 3 CO 0.31 -0.23 1.13 -0.63 -0.31 0.00 0.00 175.10 175.36 3knm s ILE 4 N -0.77 4.42 0.68 -0.62 1.01 -0.57 -3.86 121.20 121.50 3knm s ILE 4 Ca -0.09 1.64 -0.11 0.00 0.00 0.00 0.00 60.65 62.09 3knm s ILE 4 Cb -0.05 -4.35 0.00 0.00 0.01 0.00 0.00 42.46 38.07 3knm s ILE 4 CO 0.01 -0.47 1.06 -0.76 0.00 0.00 0.00 174.94 174.77 3knm s LEU 5 N 3.79 3.17 -0.05 2.97 1.02 -0.90 -2.42 118.68 126.27 3knm s LEU 5 Ca 0.48 1.63 0.07 0.00 0.02 0.00 0.00 54.13 56.33 3knm s LEU 5 Cb -0.13 -4.50 0.11 0.00 0.02 0.00 0.00 46.19 41.69 3knm s LEU 5 CO 0.17 -1.39 1.01 0.18 0.02 0.00 0.00 176.35 176.34 3knm n LEU 6 N -3.01 1.06 0.00 1.79 4.77 -0.92 -0.57 117.00 120.13 3knm n LEU 6 Ca 0.08 -1.79 0.00 0.00 -0.03 0.00 0.00 56.01 54.26 3knm n LEU 6 Cb 0.53 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 3knm n LEU 6 CO 0.55 0.42 0.00 1.21 -1.33 0.00 0.00 177.39 178.24 3knm n GLU 7 N -0.59 0.00 0.00 3.23 4.07 -1.26 -4.73 120.64 121.35 3knm n GLU 7 Ca 0.06 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.16 3knm n GLU 7 Cb 0.62 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 32.00 3knm n GLU 7 CO 0.00 0.00 0.00 -2.30 -0.06 0.00 0.00 177.13 174.77 3knm n PRO 8 N 0.00 3.43 0.00 5.31 -0.02 -1.26 -4.67 135.00 137.79 3knm n PRO 8 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3knm n PRO 8 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 3knm n PRO 8 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3knm n LEU 9 N 0.00 0.00 -4.18 2.45 0.00 -0.90 -4.77 117.00 109.61 3knm n LEU 9 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 56.01 55.66 3knm n LEU 9 Cb 0.00 0.00 0.09 0.00 0.00 0.00 0.00 43.42 43.51 3knm n LEU 9 CO 0.00 0.00 -0.98 1.21 0.00 0.00 0.00 177.39 177.62 3knm n GLU 10 N -1.61 -0.41 0.00 1.96 2.13 -1.26 -1.92 120.64 119.52 3knm n GLU 10 Ca 0.00 -0.11 0.00 0.00 0.66 0.00 0.00 57.16 57.71 3knm n GLU 10 Cb 0.00 -1.39 0.00 0.00 0.27 0.00 0.00 31.44 30.32 3knm n GLU 10 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 3knm n ASN 11 N 1.05 0.00 -3.67 4.31 2.85 -1.26 -4.72 115.26 113.81 3knm n ASN 11 Ca 0.01 0.00 -0.12 0.00 -0.11 0.00 0.00 54.58 54.36 3knm n ASN 11 Cb 0.61 0.00 -0.08 0.00 1.24 0.00 0.00 39.78 41.54 3knm n ASN 11 CO 0.00 0.00 0.00 -1.48 -2.11 0.00 0.00 177.26 173.67 3knm s LEU 12 N 0.00 -0.39 0.00 1.20 2.34 -0.81 -5.16 118.68 115.86 3knm s LEU 12 Ca 0.00 1.21 0.00 0.00 0.06 0.00 0.00 54.13 55.40 3knm s LEU 12 Cb 0.00 1.99 0.00 0.00 -0.56 0.00 0.00 46.19 47.62 3knm s LEU 12 CO 0.00 -0.21 0.00 0.61 -1.06 0.00 0.00 176.35 175.69 3knm n GLY 13 N 3.37 2.64 0.00 -3.48 0.00 -1.24 -2.11 105.19 104.37 3knm n GLY 13 Ca -0.17 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.12 3knm n GLY 13 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3knm n ASP 14 N 0.00 0.00 -1.57 1.61 8.00 -1.26 -4.75 116.55 118.58 3knm n ASP 14 Ca 0.00 0.00 -0.18 0.00 0.71 0.00 0.00 54.79 55.32 3knm n ASP 14 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.08 3knm n ASP 14 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 3knm n VAL 15 N 0.00 0.53 -0.94 2.53 3.14 -1.26 -0.85 118.33 121.48 3knm n VAL 15 Ca 0.00 -0.13 0.00 0.00 -2.96 0.00 0.00 64.34 61.25 3knm n VAL 15 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 3knm n VAL 15 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3knm n GLY 16 N 0.66 0.59 3.93 7.55 0.00 0.26 -4.92 105.19 113.27 3knm n GLY 16 Ca 0.07 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.88 3knm n GLY 16 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3knm n GLN 17 N -2.02 0.43 -3.50 1.61 7.27 -0.03 -4.87 117.38 116.27 3knm n GLN 17 Ca 0.00 -3.06 -0.28 0.00 0.07 0.00 0.00 57.00 53.73 3knm n GLN 17 Cb 0.06 -0.34 -0.13 0.00 2.41 0.00 0.00 30.24 32.23 3knm n GLN 17 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 3knm s VAL 18 N -2.74 -0.01 0.09 1.69 1.01 -1.26 -2.11 120.40 117.06 3knm s VAL 18 Ca 0.63 -1.14 0.08 0.00 0.00 0.00 0.00 61.98 61.54 3knm s VAL 18 Cb -0.05 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 3knm s VAL 18 CO 0.40 -0.82 -0.15 0.54 0.00 0.00 0.00 175.10 175.07 3knm s VAL 19 N 1.67 3.01 0.10 2.92 0.11 -1.25 -4.90 120.40 122.06 3knm s VAL 19 Ca 0.13 -1.31 0.03 0.00 -2.93 0.00 0.00 61.98 57.90 3knm s VAL 19 Cb -0.19 -2.35 -0.04 0.00 -1.53 0.00 0.00 36.38 32.27 3knm s VAL 19 CO -0.20 0.19 0.13 1.51 -3.33 0.00 0.00 175.10 173.39 3knm s ASP 20 N -1.92 5.73 0.30 3.54 1.47 -1.26 -3.11 116.67 121.43 3knm s ASP 20 Ca 0.18 0.02 0.03 0.00 1.18 0.00 0.00 52.55 53.96 3knm s ASP 20 Cb -0.11 -1.59 -0.06 0.00 -0.34 0.00 0.00 42.92 40.83 3knm s ASP 20 CO 0.09 0.14 0.07 0.68 0.68 0.00 0.00 175.17 176.83 3knm s VAL 21 N -1.53 0.98 0.25 2.11 -7.23 -1.03 -4.92 120.40 109.03 3knm s VAL 21 Ca 0.31 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.18 3knm s VAL 21 Cb -0.12 -2.74 -0.09 0.00 0.56 0.00 0.00 36.38 33.99 3knm s VAL 21 CO 0.24 0.00 1.09 -0.54 -0.31 0.00 0.00 175.10 175.58 3knm s LYS 22 N -3.93 4.64 0.19 4.82 1.02 -1.26 -3.03 119.74 122.18 3knm s LYS 22 Ca 0.37 1.78 -0.16 0.00 0.02 0.00 0.00 55.97 57.98 3knm s LYS 22 Cb 0.08 -3.21 0.18 0.00 -0.52 0.00 0.00 37.83 34.36 3knm s LYS 22 CO 0.15 0.19 1.30 -2.30 -0.92 0.00 0.00 175.35 173.77 3knm n PRO 23 N 1.48 -0.21 -0.38 -1.68 -0.02 -1.26 -0.18 135.00 132.74 3knm n PRO 23 Ca -0.00 1.29 -0.02 0.00 -2.02 0.00 0.00 63.50 62.74 3knm n PRO 23 Cb 0.45 -1.91 0.03 0.00 -0.02 0.00 0.00 33.50 32.05 3knm n PRO 23 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3knm n GLY 24 N -1.38 -2.09 0.29 -1.23 0.00 -1.26 -1.20 105.19 98.31 3knm n GLY 24 Ca 0.08 1.11 -0.07 0.00 0.00 0.00 0.00 46.02 47.15 3knm n GLY 24 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3knm h TYR 25 N 0.00 0.95 0.45 1.61 -0.00 -0.93 -2.88 116.97 116.16 3knm h TYR 25 Ca 0.32 -0.16 -0.02 0.00 -0.00 0.00 0.00 58.73 58.87 3knm h TYR 25 Cb 0.57 -0.25 0.00 0.00 -0.00 0.00 0.00 36.73 37.06 3knm h TYR 25 CO -0.88 0.89 -0.21 0.00 -0.00 0.00 0.00 178.16 177.96 3knm h ALA 26 N 1.13 -0.60 0.00 1.82 0.00 -0.71 -2.64 119.26 118.26 3knm h ALA 26 Ca 0.14 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3knm h ALA 26 Cb 0.56 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 3knm h ALA 26 CO 0.03 -0.63 -0.04 0.00 0.00 0.00 0.00 179.25 178.62 3knm h ARG 27 N -1.01 0.00 -0.07 0.00 3.08 -1.30 -0.35 114.38 114.73 3knm h ARG 27 Ca -0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3knm h ARG 27 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.61 3knm h ARG 27 CO 0.10 0.04 0.00 0.09 -1.07 0.00 0.00 179.97 179.13 3knm n ASN 28 N -3.21 1.86 0.00 7.04 3.02 -1.09 -4.41 115.26 118.48 3knm n ASN 28 Ca -0.01 -1.62 0.00 0.00 -0.03 0.00 0.00 54.58 52.92 3knm n ASN 28 Cb 0.24 -0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.37 3knm n ASN 28 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3knm n TYR 29 N 0.00 0.00 0.00 3.10 9.36 -1.01 -4.85 117.16 123.76 3knm n TYR 29 Ca 0.03 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.25 3knm n TYR 29 Cb 0.21 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.92 3knm n TYR 29 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 3knm n LEU 30 N -0.25 0.00 0.05 2.98 4.77 -1.10 -0.83 117.00 122.62 3knm n LEU 30 Ca 0.00 0.98 -0.11 0.00 -0.03 0.00 0.00 56.01 56.85 3knm n LEU 30 Cb 0.00 -0.48 -0.04 0.00 -2.33 0.00 0.00 43.42 40.57 3knm n LEU 30 CO 0.00 -0.48 0.73 -0.07 -1.33 0.00 0.00 177.39 176.24 3knm h LEU 31 N 0.00 -0.59 -0.37 2.23 4.07 -1.21 -0.32 115.31 119.12 3knm h LEU 31 Ca 0.00 0.09 0.06 0.00 0.08 0.00 0.00 57.88 58.10 3knm h LEU 31 Cb 0.00 0.25 -0.08 0.00 1.08 0.00 0.00 40.66 41.90 3knm h LEU 31 CO 0.00 -0.27 -0.48 -0.65 -1.08 0.00 0.00 178.44 175.96 3knm h PRO 32 N -0.32 -0.37 -0.02 1.13 0.11 -1.65 0.31 132.00 131.19 3knm h PRO 32 Ca 0.06 0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.20 3knm h PRO 32 Cb 0.40 0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.59 3knm h PRO 32 CO -0.19 -0.25 0.00 0.54 -0.21 0.00 0.00 178.00 177.89 3knm n ARG 33 N -5.41 0.58 -3.32 1.05 1.74 -0.01 -4.86 116.66 106.42 3knm n ARG 33 Ca -0.02 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.95 3knm n ARG 33 Cb 0.35 -1.01 0.01 0.00 -1.02 0.00 0.00 32.46 30.79 3knm n ARG 33 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3knm n GLY 34 N 0.08 -1.23 0.00 -0.13 0.00 0.11 -4.92 105.19 99.10 3knm n GLY 34 Ca 0.00 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.53 3knm n GLY 34 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3knm n LEU 35 N -2.34 0.37 -3.62 0.99 4.77 -0.21 -4.98 117.00 111.98 3knm n LEU 35 Ca -0.10 -0.37 -0.02 0.00 -0.03 0.00 0.00 56.01 55.49 3knm n LEU 35 Cb 0.57 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.64 3knm n LEU 35 CO 0.58 0.09 1.14 0.00 -1.33 0.00 0.00 177.39 177.87 3knm s ALA 36 N -0.13 -2.21 0.15 -1.18 0.00 -1.25 -2.16 121.76 114.97 3knm s ALA 36 Ca 0.00 1.66 0.05 0.00 0.00 0.00 0.00 51.96 53.67 3knm s ALA 36 Cb 0.00 -0.21 -0.04 0.00 0.00 0.00 0.00 23.12 22.87 3knm s ALA 36 CO 0.00 -0.65 -0.12 0.08 0.00 0.00 0.00 175.76 175.07 3knm s VAL 37 N -2.15 1.31 0.12 0.00 1.01 -1.01 -4.10 120.40 115.56 3knm s VAL 37 Ca 0.12 -1.95 -0.33 0.00 0.00 0.00 0.00 61.98 59.82 3knm s VAL 37 Cb 0.00 -1.74 -0.12 0.00 0.00 0.00 0.00 36.38 34.52 3knm s VAL 37 CO -0.03 -0.60 1.73 0.18 0.00 0.00 0.00 175.10 176.37 3knm n LEU 38 N 0.06 3.58 -2.64 3.92 4.32 -1.26 -1.51 117.00 123.47 3knm n LEU 38 Ca -0.12 1.03 -0.13 0.00 -0.02 0.00 0.00 56.01 56.77 3knm n LEU 38 Cb 0.59 -1.48 -0.06 0.00 -1.62 0.00 0.00 43.42 40.85 3knm n LEU 38 CO 0.31 -0.04 1.64 0.00 -1.22 0.00 0.00 177.39 178.08 3knm n ALA 39 N 4.66 4.24 -2.29 -1.18 0.00 -0.70 -4.68 120.51 120.55 3knm n ALA 39 Ca 0.18 -1.41 -0.42 0.00 0.00 0.00 0.00 53.44 51.79 3knm n ALA 39 Cb 0.32 -2.59 -0.03 0.00 0.00 0.00 0.00 19.45 17.16 3knm n ALA 39 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3knm s THR 40 N 2.58 3.97 -0.54 0.00 -4.23 -1.26 -4.86 115.64 111.30 3knm s THR 40 Ca 0.37 1.26 -0.06 0.00 -1.18 0.00 0.00 61.69 62.09 3knm s THR 40 Cb 0.14 -3.81 -0.05 0.00 1.34 0.00 0.00 72.50 70.12 3knm s THR 40 CO -0.01 -0.06 1.67 -0.62 -0.54 0.00 0.00 174.62 175.06 3knm n GLU 41 N 6.05 1.21 0.00 3.99 1.02 -1.26 -0.85 120.64 130.79 3knm n GLU 41 Ca 0.14 -1.12 0.00 0.00 -0.02 0.00 0.00 57.16 56.16 3knm n GLU 41 Cb 0.44 -2.32 0.00 0.00 -0.02 0.00 0.00 31.44 29.54 3knm n GLU 41 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3knm n SER 42 N 4.91 0.00 -0.54 1.62 2.88 -1.26 -4.79 113.62 116.44 3knm n SER 42 Ca 0.29 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.84 3knm n SER 42 Cb 0.11 0.15 0.07 0.00 -0.75 0.00 0.00 64.21 63.79 3knm n SER 42 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 3knm n ASN 43 N -1.87 1.38 -0.03 -3.46 6.94 -1.01 -2.89 115.26 114.32 3knm n ASN 43 Ca 0.00 -2.10 -0.20 0.00 -0.02 0.00 0.00 54.58 52.26 3knm n ASN 43 Cb 0.00 -0.36 -0.13 0.00 -2.36 0.00 0.00 39.78 36.93 3knm n ASN 43 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 3knm h LEU 44 N 0.72 0.23 -2.23 -4.53 5.85 -1.30 -3.25 115.31 110.80 3knm h LEU 44 Ca 0.00 -0.80 -0.01 0.00 0.84 0.00 0.00 57.88 57.91 3knm h LEU 44 Cb 0.53 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.48 3knm h LEU 44 CO 0.05 1.47 -0.03 0.07 -0.34 0.00 0.00 178.44 179.66 3knm h LYS 45 N -0.59 0.00 0.00 1.25 2.10 -1.77 0.33 116.57 117.88 3knm h LYS 45 Ca -0.25 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.40 3knm h LYS 45 Cb 1.51 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.84 3knm h LYS 45 CO -0.01 0.03 -0.02 0.00 -2.00 0.00 0.00 179.45 177.45 3knm h ALA 46 N 1.97 1.02 -0.12 0.07 0.00 -1.65 -0.43 119.26 120.12 3knm h ALA 46 Ca -0.00 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.70 3knm h ALA 46 Cb 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3knm h ALA 46 CO 0.00 0.02 -0.74 1.25 0.00 0.00 0.00 179.25 179.79 3knm h LEU 47 N 0.00 0.69 -0.67 0.00 6.46 -0.42 -3.11 115.31 118.25 3knm h LEU 47 Ca -0.00 -0.45 0.04 0.00 -0.12 0.00 0.00 57.88 57.35 3knm h LEU 47 Cb 0.32 -0.20 -0.05 0.00 -0.73 0.00 0.00 40.66 40.00 3knm h LEU 47 CO 0.00 1.21 0.41 -0.33 -0.62 0.00 0.00 178.44 179.11 3knm h GLU 48 N 0.40 0.77 -0.00 1.25 4.39 -1.10 -0.52 114.58 119.77 3knm h GLU 48 Ca -0.04 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.62 3knm h GLU 48 Cb 1.33 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 3knm h GLU 48 CO 0.14 0.51 0.00 0.00 -1.16 0.00 0.00 179.01 178.50 3knm n ALA 49 N -2.32 1.47 0.00 3.43 0.00 -1.10 -1.10 120.51 120.89 3knm n ALA 49 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3knm n ALA 49 Cb 0.10 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.55 3knm n ALA 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3knm n ARG 50 N -0.42 0.00 0.28 0.00 1.74 -0.30 -4.13 116.66 113.83 3knm n ARG 50 Ca 0.00 0.00 0.13 0.00 -0.77 0.00 0.00 57.85 57.21 3knm n ARG 50 Cb 0.00 -0.41 0.82 0.00 -1.02 0.00 0.00 32.46 31.85 3knm n ARG 50 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3knm h ILE 51 N 0.00 0.68 0.00 0.55 1.08 -0.12 -2.85 117.51 116.86 3knm h ILE 51 Ca 0.00 -0.01 -0.32 0.00 -0.39 0.00 0.00 64.86 64.14 3knm h ILE 51 Cb 0.66 1.01 -0.06 0.00 -3.07 0.00 0.00 36.82 35.36 3knm h ILE 51 CO 0.00 0.00 -2.19 -2.11 -0.69 0.00 0.00 178.15 173.16 3knm n ARG 52 N -4.07 0.79 0.00 2.37 1.85 -0.25 -3.21 116.66 114.14 3knm n ARG 52 Ca -0.03 0.08 0.00 0.00 -1.00 0.00 0.00 57.85 56.90 3knm n ARG 52 Cb 0.09 -1.43 0.00 0.00 -1.05 0.00 0.00 32.46 30.07 3knm n ARG 52 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3knm n ALA 53 N -2.95 1.30 0.00 2.89 0.00 -1.09 0.11 120.51 120.78 3knm n ALA 53 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.10 3knm n ALA 53 Cb 0.95 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 19.54 3knm n ALA 53 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3knm n GLN 54 N -0.59 4.83 0.17 0.00 7.27 -1.15 -4.58 117.38 123.33 3knm n GLN 54 Ca 0.00 0.00 0.14 0.00 0.07 0.00 0.00 57.00 57.21 3knm n GLN 54 Cb 0.00 -0.56 0.51 0.00 2.41 0.00 0.00 30.24 32.60 3knm n GLN 54 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3knm h ALA 55 N 0.00 1.00 -0.16 1.69 0.00 0.87 0.17 119.26 122.83 3knm h ALA 55 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3knm h ALA 55 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3knm h ALA 55 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 179.25 179.61 3knm n LYS 56 N -2.52 2.70 -0.06 0.00 2.85 -0.71 -4.11 118.16 116.31 3knm n LYS 56 Ca 0.02 -2.05 -0.13 0.00 -1.05 0.00 0.00 58.31 55.10 3knm n LYS 56 Cb 0.30 -1.29 -0.04 0.00 -0.65 0.00 0.00 35.03 33.34 3knm n LYS 56 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 3knm n ARG 57 N -0.28 0.26 0.00 -1.58 5.12 -0.82 -3.66 116.66 115.69 3knm n ARG 57 Ca 0.10 0.12 0.06 0.00 -1.93 0.00 0.00 57.85 56.19 3knm n ARG 57 Cb 0.46 -0.94 0.31 0.00 -1.16 0.00 0.00 32.46 31.14 3knm n ARG 57 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 3knm n LEU 58 N -3.56 0.00 -0.00 0.55 7.94 0.53 -0.20 117.00 122.25 3knm n LEU 58 Ca -0.24 0.14 0.06 0.00 -1.11 0.00 0.00 56.01 54.86 3knm n LEU 58 Cb 0.67 -0.14 -0.09 0.00 0.53 0.00 0.00 43.42 44.39 3knm n LEU 58 CO 0.01 -0.09 -0.34 0.00 -1.11 0.00 0.00 177.39 175.87 3knm n ALA 59 N -1.14 3.06 0.49 1.96 0.00 -1.26 -3.29 120.51 120.33 3knm n ALA 59 Ca 0.07 -0.33 0.12 0.00 0.00 0.00 0.00 53.44 53.30 3knm n ALA 59 Cb 0.06 -0.45 0.21 0.00 0.00 0.00 0.00 19.45 19.27 3knm n ALA 59 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3knm h GLU 60 N 0.00 0.00 0.05 0.00 4.57 -0.66 -2.20 114.58 116.34 3knm h GLU 60 Ca 0.00 0.00 -0.36 0.00 -1.18 0.00 0.00 59.36 57.82 3knm h GLU 60 Cb 0.44 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.99 3knm h GLU 60 CO 0.00 0.00 -2.16 0.54 -1.18 0.00 0.00 179.01 176.21 3knm n ARG 61 N -2.32 0.70 0.03 1.92 3.00 -0.81 -3.75 116.66 115.42 3knm n ARG 61 Ca 0.03 0.20 0.10 0.00 -0.01 0.00 0.00 57.85 58.17 3knm n ARG 61 Cb 0.46 -1.64 0.42 0.00 0.00 0.00 0.00 32.46 31.70 3knm n ARG 61 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 3knm n LYS 62 N -3.24 0.06 0.00 5.56 0.00 -1.21 -1.35 118.16 117.98 3knm n LYS 62 Ca -0.34 0.23 0.14 0.00 0.00 0.00 0.00 58.31 58.33 3knm n LYS 62 Cb 1.05 -1.60 0.58 0.00 0.00 0.00 0.00 35.03 35.06 3knm n LYS 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3knm n ALA 63 N -1.57 2.68 -0.11 3.14 0.00 -0.83 -3.42 120.51 120.39 3knm n ALA 63 Ca 0.04 -0.20 -0.15 0.00 0.00 0.00 0.00 53.44 53.14 3knm n ALA 63 Cb 0.24 -1.38 -0.12 0.00 0.00 0.00 0.00 19.45 18.20 3knm n ALA 63 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3knm n GLU 64 N -1.30 0.67 0.00 0.00 -0.58 -0.46 -3.26 120.64 115.71 3knm n GLU 64 Ca 0.10 0.11 0.00 0.00 -0.42 0.00 0.00 57.16 56.95 3knm n GLU 64 Cb 0.30 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.70 3knm n GLU 64 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3knm n ALA 65 N -3.09 1.22 -1.29 0.62 0.00 -1.06 -0.94 120.51 115.98 3knm n ALA 65 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.05 3knm n ALA 65 Cb 0.97 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 19.51 3knm n ALA 65 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3knm n GLU 66 N -1.12 0.00 -0.17 0.00 1.02 -1.25 -3.91 120.64 115.21 3knm n GLU 66 Ca 0.00 -0.27 0.06 0.00 -0.02 0.00 0.00 57.16 56.93 3knm n GLU 66 Cb 0.01 -0.36 0.15 0.00 -0.02 0.00 0.00 31.44 31.23 3knm n GLU 66 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3knm n ARG 67 N 0.00 2.61 0.00 3.49 1.74 -0.37 -3.89 116.66 120.24 3knm n ARG 67 Ca 0.00 -1.99 0.00 0.00 -0.77 0.00 0.00 57.85 55.09 3knm n ARG 67 Cb 0.44 -1.28 0.00 0.00 -1.02 0.00 0.00 32.46 30.60 3knm n ARG 67 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3knm n LEU 68 N 0.60 0.00 -0.01 0.55 0.00 -0.11 -4.89 117.00 113.14 3knm n LEU 68 Ca 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 56.01 56.12 3knm n LEU 68 Cb 0.42 0.00 -0.00 0.00 0.00 0.00 0.00 43.42 43.84 3knm n LEU 68 CO 0.08 0.00 0.03 0.50 0.00 0.00 0.00 177.39 178.00 3knm h LYS 69 N 0.00 -0.04 -1.57 1.96 3.64 -1.70 -3.14 116.57 115.72 3knm h LYS 69 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3knm h LYS 69 Cb 0.00 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 3knm h LYS 69 CO 0.00 -0.03 0.00 0.39 -2.27 0.00 0.00 179.45 177.54 3knm n GLU 70 N -3.44 0.44 0.00 1.90 -0.58 -1.25 -1.98 120.64 115.73 3knm n GLU 70 Ca -0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 3knm n GLU 70 Cb 0.02 -1.28 0.00 0.00 -0.57 0.00 0.00 31.44 29.61 3knm n GLU 70 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 3knm n ILE 71 N 0.79 0.00 -1.16 -3.67 -5.35 -1.25 -4.92 119.36 103.80 3knm n ILE 71 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 3knm n ILE 71 Cb 0.22 0.15 0.01 0.00 -1.74 0.00 0.00 39.64 38.27 3knm n ILE 71 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3knm n LEU 72 N 0.00 0.29 -0.92 7.28 7.99 -1.04 -4.58 117.00 126.03 3knm n LEU 72 Ca 0.00 -0.58 0.11 0.00 -0.01 0.00 0.00 56.01 55.53 3knm n LEU 72 Cb 0.00 -0.02 0.11 0.00 -0.11 0.00 0.00 43.42 43.40 3knm n LEU 72 CO 0.00 0.14 0.61 1.21 -1.51 0.00 0.00 177.39 177.85 3knm n GLU 73 N -0.11 2.13 0.00 3.23 2.13 -0.84 -4.41 120.64 122.77 3knm n GLU 73 Ca 0.01 -1.89 0.00 0.00 0.66 0.00 0.00 57.16 55.94 3knm n GLU 73 Cb 0.53 -1.43 0.00 0.00 0.27 0.00 0.00 31.44 30.81 3knm n GLU 73 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 3knm n ASN 74 N 1.27 3.32 -4.03 4.31 0.23 -1.26 -4.75 115.26 114.35 3knm n ASN 74 Ca 0.14 0.00 -0.38 0.00 -0.53 0.00 0.00 54.58 53.80 3knm n ASN 74 Cb 0.56 0.00 0.04 0.00 -2.08 0.00 0.00 39.78 38.30 3knm n ASN 74 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22 3knm n LEU 75 N -2.34 -2.97 0.03 -4.53 7.94 -1.26 -4.77 117.00 109.10 3knm n LEU 75 Ca 0.00 -0.01 0.00 0.00 -1.11 0.00 0.00 56.01 54.89 3knm n LEU 75 Cb 0.42 -0.55 0.00 0.00 0.53 0.00 0.00 43.42 43.82 3knm n LEU 75 CO 0.00 -2.60 -0.22 0.35 -1.11 0.00 0.00 177.39 173.81 3knm n THR 76 N -3.58 0.41 -2.53 1.96 -2.24 -1.26 -3.91 114.28 103.13 3knm n THR 76 Ca -0.02 0.13 -0.04 0.00 -2.27 0.00 0.00 64.05 61.85 3knm n THR 76 Cb 0.74 -1.29 -0.04 0.00 -2.10 0.00 0.00 70.33 67.64 3knm n THR 76 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3knm n LEU 77 N -3.15 -6.18 -4.86 3.22 0.00 -1.26 -4.11 117.00 100.66 3knm n LEU 77 Ca 0.00 1.98 -0.31 0.00 0.00 0.00 0.00 56.01 57.69 3knm n LEU 77 Cb 0.22 -3.13 -0.02 0.00 0.00 0.00 0.00 43.42 40.49 3knm n LEU 77 CO 0.00 -3.60 0.62 -0.89 0.00 0.00 0.00 177.39 173.52 3knm s THR 78 N -0.80 4.68 -0.26 1.96 2.01 -1.26 -3.74 115.64 118.23 3knm s THR 78 Ca -0.22 0.88 -0.06 0.00 0.31 0.00 0.00 61.69 62.60 3knm s THR 78 Cb 0.01 -3.79 -0.01 0.00 0.01 0.00 0.00 72.50 68.73 3knm s THR 78 CO 0.74 -0.83 0.05 -0.63 -0.69 0.00 0.00 174.62 173.26 3knm s ILE 79 N -2.78 3.98 -1.01 1.82 -1.09 -1.21 -4.93 121.20 115.98 3knm s ILE 79 Ca 0.55 -0.45 -0.24 0.00 -2.23 0.00 0.00 60.65 58.28 3knm s ILE 79 Cb -0.10 -2.93 -0.16 0.00 -1.58 0.00 0.00 42.46 37.69 3knm s ILE 79 CO 0.40 0.25 1.95 -0.81 -1.23 0.00 0.00 174.94 175.51 3knm n PRO 80 N 4.88 1.09 -3.24 2.79 -0.04 -1.26 -2.79 135.00 136.42 3knm n PRO 80 Ca -0.16 -2.07 -0.39 0.00 -0.04 0.00 0.00 63.50 60.84 3knm n PRO 80 Cb 0.50 -3.57 -0.06 0.00 -0.04 0.00 0.00 33.50 30.33 3knm n PRO 80 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3knm s VAL 81 N 11.42 5.11 -0.15 0.52 1.01 -1.25 -4.93 120.40 132.12 3knm s VAL 81 Ca 0.70 0.98 -0.00 0.00 0.00 0.00 0.00 61.98 63.66 3knm s VAL 81 Cb 0.02 -3.85 0.13 0.00 0.00 0.00 0.00 36.38 32.68 3knm s VAL 81 CO 0.16 0.19 1.79 -1.14 0.00 0.00 0.00 175.10 176.11 3knm n ARG 82 N 4.64 1.39 0.00 2.72 3.00 -1.25 -2.98 116.66 124.18 3knm n ARG 82 Ca -0.05 -0.81 0.00 0.00 -0.00 0.00 0.00 57.85 57.00 3knm n ARG 82 Cb 0.50 -1.32 0.00 0.00 0.00 0.00 0.00 32.46 31.65 3knm n ARG 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3knm n ALA 83 N 0.67 0.00 -2.72 5.13 0.00 -1.26 -4.96 120.51 117.36 3knm n ALA 83 Ca 0.16 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.55 3knm n ALA 83 Cb 0.61 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.09 3knm n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3knm n GLY 84 N 1.21 -0.98 5.20 0.00 0.00 -1.23 -4.72 105.19 104.67 3knm n GLY 84 Ca 0.00 0.76 0.00 0.00 0.00 0.00 0.00 46.02 46.78 3knm n GLY 84 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3knm n GLU 85 N 2.61 0.00 0.00 1.61 0.00 -1.26 -4.32 120.64 119.28 3knm n GLU 85 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.30 3knm n GLU 85 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.05 3knm n GLU 85 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 3knm n THR 86 N 0.00 0.00 -2.90 6.31 -2.24 -1.26 -4.99 114.28 109.20 3knm n THR 86 Ca 0.00 0.48 0.00 0.00 -2.27 0.00 0.00 64.05 62.26 3knm n THR 86 Cb 0.00 -1.42 0.00 0.00 -2.10 0.00 0.00 70.33 66.81 3knm n THR 86 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 3knm n LYS 87 N 0.00 3.48 0.00 -0.78 2.85 -1.26 -4.64 118.16 117.81 3knm n LYS 87 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 3knm n LYS 87 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 3knm n LYS 87 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 3knm n ILE 88 N -0.03 0.00 0.00 0.58 2.08 -1.25 -3.47 119.36 117.26 3knm n ILE 88 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 3knm n ILE 88 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.89 3knm n ILE 88 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3knm n TYR 89 N 0.00 -0.58 0.00 1.39 0.18 -1.26 -4.95 117.16 111.94 3knm n TYR 89 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 3knm n TYR 89 Cb 0.00 0.12 0.00 0.00 -0.38 0.00 0.00 39.34 39.08 3knm n TYR 89 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3knm n GLY 90 N -1.07 0.00 6.13 -7.48 0.00 -1.26 -4.82 105.19 96.68 3knm n GLY 90 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3knm n GLY 90 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3knm n SER 91 N -0.41 0.00 0.00 1.61 3.41 -1.26 -4.73 113.62 112.24 3knm n SER 91 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3knm n SER 91 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3knm n SER 91 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 3knm n VAL 92 N 0.00 0.00 -0.22 -3.33 3.14 -1.26 -4.11 118.33 112.55 3knm n VAL 92 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 3knm n VAL 92 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 3knm n VAL 92 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 3knm n THR 93 N 0.00 0.00 0.10 1.55 -2.24 -1.26 -0.39 114.28 112.04 3knm n THR 93 Ca 0.00 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.73 3knm n THR 93 Cb 0.00 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.25 3knm n THR 93 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3knm n ALA 94 N -1.00 3.59 -0.65 6.98 0.00 -1.26 -3.07 120.51 125.10 3knm n ALA 94 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.92 3knm n ALA 94 Cb 0.35 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.70 3knm n ALA 94 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3knm n LYS 95 N 0.60 0.22 -0.04 0.00 5.02 -1.25 -4.43 118.16 118.27 3knm n LYS 95 Ca 0.10 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.31 3knm n LYS 95 Cb 0.62 -0.02 -0.07 0.00 -0.02 0.00 0.00 35.03 35.54 3knm n LYS 95 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 3knm h ASP 96 N 0.00 -0.03 0.00 4.39 3.45 -0.64 -2.98 116.42 120.60 3knm h ASP 96 Ca 0.00 -0.52 0.00 0.00 0.43 0.00 0.00 57.03 56.94 3knm h ASP 96 Cb 0.00 0.01 0.00 0.00 -0.56 0.00 0.00 39.33 38.78 3knm h ASP 96 CO 0.00 0.70 0.57 0.40 -1.57 0.00 0.00 179.24 179.35 3knm h ILE 97 N -0.97 0.00 0.01 0.35 2.04 -1.71 0.23 117.51 117.45 3knm h ILE 97 Ca -0.00 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 3knm h ILE 97 Cb 0.56 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 3knm h ILE 97 CO 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 178.15 178.15 3knm h ALA 98 N 0.69 -0.01 0.00 1.87 0.00 -1.87 -3.30 119.26 116.64 3knm h ALA 98 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3knm h ALA 98 Cb 1.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3knm h ALA 98 CO 0.00 -0.01 0.28 0.39 0.00 0.00 0.00 179.25 179.90 3knm n GLU 99 N -4.78 0.01 -3.05 0.00 1.02 0.79 -0.36 120.64 114.26 3knm n GLU 99 Ca -0.00 0.27 -0.23 0.00 -0.02 0.00 0.00 57.16 57.18 3knm n GLU 99 Cb 0.01 -1.80 -0.04 0.00 -0.02 0.00 0.00 31.44 29.59 3knm n GLU 99 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3knm n ALA 100 N -1.27 3.52 0.00 0.62 0.00 -1.08 -4.05 120.51 118.24 3knm n ALA 100 Ca -0.00 -4.14 0.00 0.00 0.00 0.00 0.00 53.44 49.30 3knm n ALA 100 Cb 0.28 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 18.91 3knm n ALA 100 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3knm n LEU 101 N 0.00 0.00 -0.13 0.00 7.94 0.52 -4.61 117.00 120.71 3knm n LEU 101 Ca 0.28 0.00 0.11 0.00 -1.11 0.00 0.00 56.01 55.29 3knm n LEU 101 Cb 0.51 0.00 0.07 0.00 0.53 0.00 0.00 43.42 44.53 3knm n LEU 101 CO 0.28 0.00 0.25 -0.24 -1.11 0.00 0.00 177.39 176.57 3knm n SER 102 N -0.42 1.07 -0.01 1.96 2.88 -0.20 0.88 113.62 119.79 3knm n SER 102 Ca 0.00 -0.88 -0.01 0.00 -1.33 0.00 0.00 58.87 56.65 3knm n SER 102 Cb 0.00 0.58 -0.00 0.00 -0.75 0.00 0.00 64.21 64.04 3knm n SER 102 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3knm n ARG 103 N -1.10 0.02 0.00 -1.46 1.74 -1.26 -4.69 116.66 109.91 3knm n ARG 103 Ca 0.07 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 3knm n ARG 103 Cb 0.36 -0.68 0.00 0.00 -1.02 0.00 0.00 32.46 31.12 3knm n ARG 103 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 3knm n GLN 104 N -2.89 0.00 0.00 5.56 7.27 -1.26 -4.70 117.38 121.35 3knm n GLN 104 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.05 3knm n GLN 104 Cb 0.52 -0.32 0.00 0.00 2.41 0.00 0.00 30.24 32.85 3knm n GLN 104 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 3knm n HIS 105 N -0.16 0.00 0.00 3.69 8.25 -1.25 -4.90 115.22 120.86 3knm n HIS 105 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3knm n HIS 105 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3knm n HIS 105 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3knm n GLY 106 N -0.66 0.07 3.27 -1.41 0.00 0.25 -4.97 105.19 101.75 3knm n GLY 106 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 3knm n GLY 106 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3knm s VAL 107 N -0.07 1.39 0.18 1.61 1.01 0.62 -4.96 120.40 120.18 3knm s VAL 107 Ca 0.00 -1.99 -0.16 0.00 0.00 0.00 0.00 61.98 59.84 3knm s VAL 107 Cb 0.00 -1.80 -0.07 0.00 0.00 0.00 0.00 36.38 34.51 3knm s VAL 107 CO 0.00 -0.59 0.61 -0.89 0.00 0.00 0.00 175.10 174.23 3knm s THR 108 N -2.81 4.77 -0.03 3.92 2.01 -1.26 -3.32 115.64 118.91 3knm s THR 108 Ca 0.16 0.95 -0.01 0.00 0.31 0.00 0.00 61.69 63.10 3knm s THR 108 Cb -0.01 -3.76 0.03 0.00 0.01 0.00 0.00 72.50 68.77 3knm s THR 108 CO 0.03 0.20 0.05 -0.63 -0.69 0.00 0.00 174.62 173.58 3knm s ILE 109 N -1.52 -0.08 -0.78 1.82 1.09 -1.26 -5.04 121.20 115.43 3knm s ILE 109 Ca 0.40 0.34 -0.26 0.00 -1.10 0.00 0.00 60.65 60.03 3knm s ILE 109 Cb -0.15 -0.13 0.01 0.00 -1.06 0.00 0.00 42.46 41.13 3knm s ILE 109 CO 0.20 0.15 1.58 -1.81 -0.10 0.00 0.00 174.94 174.95 3knm s ASP 110 N 1.72 5.82 0.00 3.58 1.01 -1.26 -4.82 116.67 122.72 3knm s ASP 110 Ca -0.01 -0.46 0.00 0.00 0.71 0.00 0.00 52.55 52.79 3knm s ASP 110 Cb -0.12 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.25 3knm s ASP 110 CO -0.03 -2.07 0.31 -2.65 0.21 0.00 0.00 175.17 170.95 3knm n PRO 111 N 9.15 0.00 0.00 8.23 -0.02 -1.26 -3.19 135.00 147.91 3knm n PRO 111 Ca 0.20 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 3knm n PRO 111 Cb 0.50 -1.49 0.00 0.00 -0.02 0.00 0.00 33.50 32.49 3knm n PRO 111 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3knm n LYS 112 N -0.81 0.00 -1.36 -0.52 5.02 -1.26 -4.55 118.16 114.68 3knm n LYS 112 Ca 0.00 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.91 3knm n LYS 112 Cb 0.00 -0.13 -0.02 0.00 -0.02 0.00 0.00 35.03 34.86 3knm n LYS 112 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 3knm n ARG 113 N -0.19 2.74 0.00 1.97 0.00 -1.19 -4.52 116.66 115.47 3knm n ARG 113 Ca 0.00 -2.18 0.12 0.00 -0.00 0.00 0.00 57.85 55.79 3knm n ARG 113 Cb 0.00 -2.96 0.26 0.00 -0.00 0.00 0.00 32.46 29.76 3knm n ARG 113 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 3knm n LEU 114 N 5.35 0.94 0.00 2.89 4.77 -1.26 -3.89 117.00 125.80 3knm n LEU 114 Ca 0.58 -0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 3knm n LEU 114 Cb 0.31 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 3knm n LEU 114 CO 0.88 0.19 0.00 0.00 -1.33 0.00 0.00 177.39 177.14 3knm n ALA 115 N -0.94 0.00 -2.38 -1.18 0.00 -1.25 -4.03 120.51 110.73 3knm n ALA 115 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.11 3knm n ALA 115 Cb 0.35 -0.09 -0.02 0.00 0.00 0.00 0.00 19.45 19.69 3knm n ALA 115 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3knm s LEU 116 N 0.00 3.49 0.00 0.00 2.96 -1.26 -4.74 118.68 119.13 3knm s LEU 116 Ca 0.00 0.52 0.00 0.00 -0.22 0.00 0.00 54.13 54.43 3knm s LEU 116 Cb 0.00 -3.29 0.00 0.00 0.50 0.00 0.00 46.19 43.40 3knm s LEU 116 CO 0.00 -1.57 0.00 -1.84 -1.32 0.00 0.00 176.35 171.62 3knm n GLU 117 N 8.37 0.00 -2.21 1.98 0.28 -1.26 -4.80 120.64 123.00 3knm n GLU 117 Ca 0.14 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.72 3knm n GLU 117 Cb 0.49 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.33 3knm n GLU 117 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 3knm s LYS 118 N 0.05 4.22 -0.84 3.44 2.36 -1.26 -4.87 119.74 122.84 3knm s LYS 118 Ca 0.00 1.94 -0.29 0.00 -2.55 0.00 0.00 55.97 55.06 3knm s LYS 118 Cb 0.00 -3.84 -0.17 0.00 -1.05 0.00 0.00 37.83 32.77 3knm s LYS 118 CO 0.00 -0.75 2.61 -0.35 1.55 0.00 0.00 175.35 178.41 3knm n PRO 119 N 6.67 0.32 0.00 4.03 -0.04 -1.26 -4.86 135.00 139.85 3knm n PRO 119 Ca 0.15 -0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 3knm n PRO 119 Cb 0.44 -2.10 0.00 0.00 -0.04 0.00 0.00 33.50 31.80 3knm n PRO 119 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 3knm n ILE 120 N 7.65 0.00 -3.40 0.52 5.41 -1.26 -4.76 119.36 123.52 3knm n ILE 120 Ca 0.57 0.00 -0.25 0.00 1.00 0.00 0.00 62.75 64.07 3knm n ILE 120 Cb 0.19 0.00 0.02 0.00 -0.71 0.00 0.00 39.64 39.14 3knm n ILE 120 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 3knm n LYS 121 N -0.83 -4.72 -3.53 0.38 5.02 -1.26 -4.94 118.16 108.27 3knm n LYS 121 Ca 0.00 0.67 -0.14 0.00 -2.02 0.00 0.00 58.31 56.82 3knm n LYS 121 Cb 0.00 -5.50 -0.05 0.00 -0.02 0.00 0.00 35.03 29.46 3knm n LYS 121 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3knm s GLU 122 N -6.09 1.09 1.20 1.97 0.41 -1.26 -3.89 118.70 112.13 3knm s GLU 122 Ca 0.45 -0.22 -0.17 0.00 -0.41 0.00 0.00 54.97 54.62 3knm s GLU 122 Cb -0.22 0.50 0.28 0.00 -1.78 0.00 0.00 34.13 32.92 3knm s GLU 122 CO 0.55 -0.41 1.05 -0.51 -0.49 0.00 0.00 175.26 175.45 3knm s LEU 123 N -2.03 0.49 0.00 1.80 1.43 -1.26 -4.95 118.68 114.16 3knm s LEU 123 Ca -0.05 0.98 0.00 0.00 -1.03 0.00 0.00 54.13 54.03 3knm s LEU 123 Cb -0.01 -2.78 0.00 0.00 0.03 0.00 0.00 46.19 43.44 3knm s LEU 123 CO -0.02 -4.22 0.00 0.61 0.23 0.00 0.00 176.35 172.95 3knm n GLY 124 N -0.09 -0.92 3.32 -3.19 0.00 -1.26 -5.00 105.19 98.04 3knm n GLY 124 Ca 0.09 -2.20 -0.28 0.00 0.00 0.00 0.00 46.02 43.64 3knm n GLY 124 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3knm s GLU 125 N -0.21 1.49 0.25 1.61 0.41 -1.26 -2.45 118.70 118.54 3knm s GLU 125 Ca 0.00 -1.12 0.02 0.00 -0.41 0.00 0.00 54.97 53.46 3knm s GLU 125 Cb 0.00 -1.74 -0.04 0.00 -1.78 0.00 0.00 34.13 30.58 3knm s GLU 125 CO 0.00 0.43 0.19 0.71 -0.49 0.00 0.00 175.26 176.10 3knm s TYR 126 N -0.91 1.37 -0.04 1.61 1.51 0.42 -5.01 117.35 116.29 3knm s TYR 126 Ca 0.10 -1.48 -0.01 0.00 -1.01 0.00 0.00 57.07 54.68 3knm s TYR 126 Cb -0.10 -0.60 0.03 0.00 -0.11 0.00 0.00 41.96 41.18 3knm s TYR 126 CO 0.03 -0.73 0.02 0.08 -1.11 0.00 0.00 175.55 173.84 3knm s VAL 127 N -3.89 0.13 0.00 0.71 1.01 -1.26 -1.17 120.40 115.94 3knm s VAL 127 Ca 0.39 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.56 3knm s VAL 127 Cb 0.05 -0.29 0.00 0.00 0.00 0.00 0.00 36.38 36.14 3knm s VAL 127 CO 0.18 0.18 0.00 0.18 0.00 0.00 0.00 175.10 175.63 3knm n LEU 128 N 4.67 0.00 0.00 3.92 4.77 -1.10 -4.95 117.00 124.31 3knm n LEU 128 Ca -0.16 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.81 3knm n LEU 128 Cb 0.50 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.59 3knm n LEU 128 CO 0.15 0.00 -0.01 0.35 -1.33 0.00 0.00 177.39 176.56 3knm n THR 129 N 0.00 0.00 0.00 -5.08 -2.24 -1.26 -3.02 114.28 102.68 3knm n THR 129 Ca 0.00 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 3knm n THR 129 Cb 0.00 0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.31 3knm n THR 129 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3knm n TYR 130 N -0.05 0.00 -1.24 4.78 4.19 -1.26 -3.87 117.16 119.71 3knm n TYR 130 Ca 0.00 0.00 0.15 0.00 3.31 0.00 0.00 57.90 61.36 3knm n TYR 130 Cb 0.04 0.00 -0.08 0.00 0.49 0.00 0.00 39.34 39.79 3knm n TYR 130 CO 0.00 0.00 0.00 1.17 0.91 0.00 0.00 176.86 178.94 3knm n LYS 131 N -0.20 -2.87 0.00 2.98 3.00 -1.25 -3.29 118.16 116.53 3knm n LYS 131 Ca 0.00 2.34 0.00 0.00 -0.00 0.00 0.00 58.31 60.65 3knm n LYS 131 Cb 0.00 -3.36 0.00 0.00 0.00 0.00 0.00 35.03 31.67 3knm n LYS 131 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 3knm n PRO 132 N -4.02 0.00 0.00 1.64 -0.02 -1.26 -4.65 135.00 126.69 3knm n PRO 132 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.40 3knm n PRO 132 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.07 3knm n PRO 132 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 3knm n HIS 133 N 0.00 0.00 -2.13 6.00 1.44 -1.26 -4.59 115.22 114.69 3knm n HIS 133 Ca 0.00 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.29 3knm n HIS 133 Cb 0.00 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.08 3knm n HIS 133 CO 0.00 0.00 0.00 -2.14 -2.81 0.00 0.00 176.34 171.39 3knm s PRO 134 N 0.00 4.27 0.22 -1.40 0.02 -1.26 -5.00 135.00 131.86 3knm s PRO 134 Ca 0.00 2.10 -0.03 0.00 0.02 0.00 0.00 61.00 63.09 3knm s PRO 134 Cb 0.00 -3.44 0.05 0.00 0.02 0.00 0.00 34.50 31.12 3knm s PRO 134 CO 0.00 -0.56 0.10 0.39 -0.33 0.00 0.00 177.00 176.60 3knm n GLU 135 N 4.85 -0.55 -2.72 5.54 1.02 -1.26 -4.86 120.64 122.66 3knm n GLU 135 Ca 0.13 -0.17 -0.07 0.00 -0.02 0.00 0.00 57.16 57.03 3knm n GLU 135 Cb 0.42 -0.32 0.08 0.00 -0.02 0.00 0.00 31.44 31.60 3knm n GLU 135 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 3knm n VAL 136 N -2.98 0.00 -1.64 2.62 3.14 -1.21 -4.87 118.33 113.39 3knm n VAL 136 Ca 0.02 -1.28 -0.60 0.00 -2.96 0.00 0.00 64.34 59.51 3knm n VAL 136 Cb 0.07 1.39 -0.09 0.00 -1.06 0.00 0.00 33.84 34.16 3knm n VAL 136 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 3knm n PRO 137 N 0.99 0.68 -4.40 1.45 -0.02 -1.25 -4.42 135.00 128.03 3knm n PRO 137 Ca 0.05 0.24 -0.34 0.00 -2.02 0.00 0.00 63.50 61.43 3knm n PRO 137 Cb 0.68 -1.90 -0.11 0.00 -0.02 0.00 0.00 33.50 32.15 3knm n PRO 137 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3knm s ILE 138 N 4.14 4.00 -0.18 4.25 -4.36 -1.17 -4.55 121.20 123.33 3knm s ILE 138 Ca 1.04 -0.33 -0.29 0.00 -0.26 0.00 0.00 60.65 60.81 3knm s ILE 138 Cb -1.22 -2.73 -0.01 0.00 1.25 0.00 0.00 42.46 39.75 3knm s ILE 138 CO 0.69 0.52 1.24 -1.58 0.24 0.00 0.00 174.94 176.05 3knm s GLN 139 N 0.00 4.23 -0.05 0.37 0.74 -1.25 -2.70 119.66 121.00 3knm s GLN 139 Ca 0.01 1.62 -0.00 0.00 0.05 0.00 0.00 55.36 57.04 3knm s GLN 139 Cb -0.13 -3.75 0.03 0.00 1.10 0.00 0.00 33.01 30.25 3knm s GLN 139 CO 0.02 -0.71 -0.01 -1.17 -0.55 0.00 0.00 175.29 172.88 3knm s LEU 140 N 3.48 0.97 0.24 3.68 2.96 -0.31 -4.12 118.68 125.58 3knm s LEU 140 Ca 0.53 -0.06 0.04 0.00 -0.22 0.00 0.00 54.13 54.42 3knm s LEU 140 Cb -0.21 -0.34 -0.03 0.00 0.50 0.00 0.00 46.19 46.11 3knm s LEU 140 CO 0.14 -0.13 0.38 -0.54 -1.32 0.00 0.00 176.35 174.88 3knm s LYS 141 N 1.35 3.45 -0.48 1.98 1.02 -1.25 -0.44 119.74 125.37 3knm s LYS 141 Ca -0.05 -0.65 0.03 0.00 0.02 0.00 0.00 55.97 55.32 3knm s LYS 141 Cb -0.13 -2.87 0.13 0.00 -0.52 0.00 0.00 37.83 34.44 3knm s LYS 141 CO -0.02 0.40 0.25 0.08 -0.92 0.00 0.00 175.35 175.15 3knm s VAL 142 N -1.98 1.95 0.00 3.17 1.01 -1.03 -3.35 120.40 120.18 3knm s VAL 142 Ca 0.35 -2.93 0.00 0.00 0.00 0.00 0.00 61.98 59.40 3knm s VAL 142 Cb -0.10 -2.36 0.00 0.00 0.00 0.00 0.00 36.38 33.93 3knm s VAL 142 CO 0.30 -0.86 0.00 -0.24 0.00 0.00 0.00 175.10 174.30 3knm n SER 143 N 3.31 0.00 0.00 3.32 2.88 -1.12 -4.37 113.62 117.64 3knm n SER 143 Ca 0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 3knm n SER 143 Cb 0.33 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.79 3knm n SER 143 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 3knm n VAL 144 N -0.07 0.00 -4.96 2.46 0.24 -1.26 -4.57 118.33 110.17 3knm n VAL 144 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3knm n VAL 144 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 3knm n VAL 144 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 3knm n VAL 145 N 0.00 0.00 0.00 3.34 0.31 -1.16 -3.87 118.33 116.95 3knm n VAL 145 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3knm n VAL 145 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3knm n VAL 145 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51