#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knn s GLN 3 N 0.00 2.01 -0.05 5.31 -0.21 -1.25 -4.29 119.66 121.18 3knn s GLN 3 Ca 0.00 -1.43 0.04 0.00 0.02 0.00 0.00 55.36 53.99 3knn s GLN 3 Cb 0.00 -2.06 -0.00 0.00 1.00 0.00 0.00 33.01 31.95 3knn s GLN 3 CO 0.00 0.39 -0.17 0.71 -2.12 0.00 0.00 175.29 174.10 3knn s TYR 4 N -2.03 1.70 -0.01 0.91 1.51 -1.21 -4.85 117.35 113.37 3knn s TYR 4 Ca 0.27 -0.50 0.08 0.00 -1.01 0.00 0.00 57.07 55.91 3knn s TYR 4 Cb -0.07 -1.15 -0.02 0.00 -0.11 0.00 0.00 41.96 40.61 3knn s TYR 4 CO 0.16 -0.18 -0.25 -0.47 -1.11 0.00 0.00 175.55 173.70 3knn s TYR 5 N 0.09 2.23 -0.13 2.71 6.14 -1.25 -1.90 117.35 125.24 3knn s TYR 5 Ca -0.05 -0.42 -0.12 0.00 0.64 0.00 0.00 57.07 57.12 3knn s TYR 5 Cb -0.12 -1.42 0.03 0.00 0.42 0.00 0.00 41.96 40.87 3knn s TYR 5 CO 0.02 -0.02 0.34 0.20 0.64 0.00 0.00 175.55 176.74 3knn s GLY 6 N -0.66 -0.25 -0.32 8.97 0.00 -0.79 -4.06 107.32 110.21 3knn s GLY 6 Ca 0.10 0.95 -0.06 0.00 0.00 0.00 0.00 44.72 45.71 3knn s GLY 6 CO -0.01 0.81 0.08 -1.59 0.00 0.00 0.00 173.10 172.40 3knn s THR 7 N 0.14 3.68 -0.10 0.90 2.01 -1.26 -1.13 115.64 119.88 3knn s THR 7 Ca -0.00 -1.08 -0.03 0.00 0.31 0.00 0.00 61.69 60.88 3knn s THR 7 Cb -0.02 -3.05 -0.03 0.00 0.01 0.00 0.00 72.50 69.40 3knn s THR 7 CO 0.01 -0.11 0.03 -0.83 -0.69 0.00 0.00 174.62 173.02 3knn s GLY 8 N 1.40 1.92 -0.06 4.40 0.00 -0.98 -4.26 107.32 109.74 3knn s GLY 8 Ca -0.01 -0.77 -0.11 0.00 0.00 0.00 0.00 44.72 43.83 3knn s GLY 8 CO 0.02 -0.51 0.26 -1.60 0.00 0.00 0.00 173.10 171.27 3knn s ARG 9 N -0.88 0.45 -0.36 2.90 3.52 -1.26 -1.12 118.95 122.21 3knn s ARG 9 Ca 0.13 0.08 -0.01 0.00 -0.13 0.00 0.00 55.73 55.80 3knn s ARG 9 Cb -0.11 0.21 0.18 0.00 -1.56 0.00 0.00 34.95 33.67 3knn s ARG 9 CO 0.03 -0.10 0.84 0.50 -0.81 0.00 0.00 175.30 175.76 3knn s ARG 10 N -0.56 0.49 -0.22 5.12 3.52 -0.34 -4.67 118.95 122.29 3knn s ARG 10 Ca -0.07 -0.14 -0.07 0.00 -0.13 0.00 0.00 55.73 55.32 3knn s ARG 10 Cb -0.04 0.06 0.01 0.00 -1.56 0.00 0.00 34.95 33.42 3knn s ARG 10 CO 0.02 -0.71 0.26 1.17 -0.81 0.00 0.00 175.30 175.22 3knn n LYS 11 N 4.09 -1.41 -0.16 5.12 4.81 -1.26 -3.88 118.16 125.48 3knn n LYS 11 Ca 0.08 1.45 0.00 0.00 -0.87 0.00 0.00 58.31 58.97 3knn n LYS 11 Cb 0.60 -3.68 0.00 0.00 0.02 0.00 0.00 35.03 31.97 3knn n LYS 11 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 3knn n GLU 12 N -0.24 0.00 -3.74 1.64 -0.58 -1.26 -4.65 120.64 111.81 3knn n GLU 12 Ca 0.05 0.00 -0.37 0.00 -0.42 0.00 0.00 57.16 56.43 3knn n GLU 12 Cb 0.20 -3.67 -0.11 0.00 -0.57 0.00 0.00 31.44 27.29 3knn n GLU 12 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3knn s ALA 13 N -1.44 3.35 0.02 0.62 0.00 -1.06 -1.22 121.76 122.02 3knn s ALA 13 Ca 0.00 -1.03 0.07 0.00 0.00 0.00 0.00 51.96 50.99 3knn s ALA 13 Cb 0.00 -2.19 -0.02 0.00 0.00 0.00 0.00 23.12 20.90 3knn s ALA 13 CO 0.00 -0.37 -0.20 0.08 0.00 0.00 0.00 175.76 175.27 3knn s VAL 14 N 1.40 1.59 -0.03 0.00 1.01 -0.48 -1.19 120.40 122.69 3knn s VAL 14 Ca 0.06 -1.04 -0.08 0.00 0.00 0.00 0.00 61.98 60.92 3knn s VAL 14 Cb -0.15 -1.36 0.01 0.00 0.00 0.00 0.00 36.38 34.89 3knn s VAL 14 CO 0.05 0.29 0.18 0.00 0.00 0.00 0.00 175.10 175.62 3knn s ALA 15 N -0.66 -0.43 -0.16 5.51 0.00 -0.27 -0.49 121.76 125.25 3knn s ALA 15 Ca 0.07 0.21 -0.06 0.00 0.00 0.00 0.00 51.96 52.18 3knn s ALA 15 Cb -0.08 -0.08 -0.04 0.00 0.00 0.00 0.00 23.12 22.92 3knn s ALA 15 CO 0.01 -0.16 0.03 1.03 0.00 0.00 0.00 175.76 176.67 3knn s ARG 16 N -0.72 3.76 -0.06 0.00 0.52 -0.55 -2.31 118.95 119.59 3knn s ARG 16 Ca -0.08 -0.38 0.06 0.00 -0.52 0.00 0.00 55.73 54.81 3knn s ARG 16 Cb -0.05 -3.09 -0.01 0.00 0.52 0.00 0.00 34.95 32.32 3knn s ARG 16 CO 0.01 0.35 -0.25 0.08 0.02 0.00 0.00 175.30 175.52 3knn s VAL 17 N 0.13 2.11 0.12 3.52 1.01 -0.28 -2.50 120.40 124.51 3knn s VAL 17 Ca 0.03 -1.05 0.06 0.00 0.00 0.00 0.00 61.98 61.03 3knn s VAL 17 Cb -0.13 -1.76 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 3knn s VAL 17 CO 0.01 0.57 -0.15 -0.36 0.00 0.00 0.00 175.10 175.17 3knn s PHE 18 N -0.19 1.49 0.07 5.22 2.99 -1.24 -1.88 117.98 124.45 3knn s PHE 18 Ca -0.03 -0.52 0.07 0.00 0.00 0.00 0.00 56.93 56.45 3knn s PHE 18 Cb -0.14 -0.78 -0.03 0.00 0.00 0.00 0.00 43.02 42.08 3knn s PHE 18 CO 0.03 0.18 -0.20 -0.51 -0.00 0.00 0.00 175.22 174.73 3knn s LEU 19 N -2.40 2.23 -0.45 -0.37 1.43 -0.80 -3.44 118.68 114.89 3knn s LEU 19 Ca 0.09 -0.59 0.06 0.00 -1.03 0.00 0.00 54.13 52.66 3knn s LEU 19 Cb -0.06 -0.86 0.19 0.00 0.03 0.00 0.00 46.19 45.49 3knn s LEU 19 CO 0.04 0.09 0.53 0.54 0.23 0.00 0.00 176.35 177.78 3knn n ARG 20 N 1.49 0.41 -0.42 1.70 1.74 -1.16 -3.35 116.66 117.06 3knn n ARG 20 Ca -0.19 -2.69 -0.02 0.00 -0.77 0.00 0.00 57.85 54.19 3knn n ARG 20 Cb 0.54 -1.54 -0.02 0.00 -1.02 0.00 0.00 32.46 30.42 3knn n ARG 20 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 3knn n PRO 21 N 2.62 0.00 0.00 5.56 -0.02 -1.26 -2.78 135.00 139.12 3knn n PRO 21 Ca 0.23 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 3knn n PRO 21 Cb 0.52 -0.36 0.00 0.00 -0.02 0.00 0.00 33.50 33.64 3knn n PRO 21 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3knn n GLY 22 N 1.74 2.53 0.00 -1.23 0.00 -0.13 -4.94 105.19 103.16 3knn n GLY 22 Ca 0.07 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3knn n GLY 22 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3knn n ASN 23 N 0.00 0.00 0.00 1.61 5.03 -1.26 -3.97 115.26 116.67 3knn n ASN 23 Ca 0.00 0.91 0.00 0.00 0.87 0.00 0.00 54.58 56.36 3knn n ASN 23 Cb 0.00 -0.41 0.00 0.00 -1.02 0.00 0.00 39.78 38.35 3knn n ASN 23 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3knn n GLY 24 N -0.99 1.97 3.45 7.41 0.00 -1.21 -4.29 105.19 111.53 3knn n GLY 24 Ca 0.00 -0.30 -0.48 0.00 0.00 0.00 0.00 46.02 45.25 3knn n GLY 24 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3knn n LYS 25 N 0.00 0.71 -2.23 1.61 2.85 -1.26 -4.44 118.16 115.40 3knn n LYS 25 Ca 0.00 0.15 -0.30 0.00 -1.05 0.00 0.00 58.31 57.11 3knn n LYS 25 Cb 0.00 -2.30 -0.00 0.00 -0.65 0.00 0.00 35.03 32.08 3knn n LYS 25 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 3knn s VAL 26 N 8.26 4.75 -0.19 0.58 1.01 -1.26 -4.08 120.40 129.47 3knn s VAL 26 Ca 1.14 0.71 -0.05 0.00 0.00 0.00 0.00 61.98 63.79 3knn s VAL 26 Cb -0.92 -3.84 0.06 0.00 0.00 0.00 0.00 36.38 31.69 3knn s VAL 26 CO 0.48 -0.96 0.09 -0.89 0.00 0.00 0.00 175.10 173.82 3knn s THR 27 N -2.92 -0.06 -0.23 3.92 2.01 0.91 -3.29 115.64 115.97 3knn s THR 27 Ca 0.53 -0.25 -0.17 0.00 0.31 0.00 0.00 61.69 62.11 3knn s THR 27 Cb -0.11 -0.64 -0.03 0.00 0.01 0.00 0.00 72.50 71.73 3knn s THR 27 CO 0.47 -0.33 0.45 -0.69 -0.69 0.00 0.00 174.62 173.83 3knn s VAL 28 N 2.12 5.14 -1.37 3.82 1.01 -0.46 0.16 120.40 130.82 3knn s VAL 28 Ca 0.03 0.79 -0.06 0.00 0.00 0.00 0.00 61.98 62.73 3knn s VAL 28 Cb -0.16 -3.78 0.04 0.00 0.00 0.00 0.00 36.38 32.48 3knn s VAL 28 CO -0.12 0.17 0.46 0.59 0.00 0.00 0.00 175.10 176.20 3knn n ASN 29 N 5.02 -4.67 -2.72 3.32 4.13 0.34 -2.50 115.26 118.18 3knn n ASN 29 Ca -0.06 -0.27 -0.04 0.00 1.68 0.00 0.00 54.58 55.88 3knn n ASN 29 Cb 0.50 -3.83 0.02 0.00 -1.54 0.00 0.00 39.78 34.93 3knn n ASN 29 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3knn n GLY 30 N -1.25 -0.86 3.61 7.41 0.00 -1.26 -5.05 105.19 107.78 3knn n GLY 30 Ca -0.07 0.33 -0.06 0.00 0.00 0.00 0.00 46.02 46.22 3knn n GLY 30 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3knn s GLN 31 N -3.41 0.33 0.46 1.61 0.74 -1.04 -5.13 119.66 113.23 3knn s GLN 31 Ca 0.13 0.04 -0.22 0.00 0.05 0.00 0.00 55.36 55.37 3knn s GLN 31 Cb -0.02 0.15 -0.08 0.00 1.10 0.00 0.00 33.01 34.17 3knn s GLN 31 CO 0.56 -0.11 1.08 0.34 -0.55 0.00 0.00 175.29 176.60 3knn s ASP 32 N -1.27 6.35 0.00 6.67 2.15 -1.26 -1.36 116.67 127.95 3knn s ASP 32 Ca 0.05 2.06 0.00 0.00 0.43 0.00 0.00 52.55 55.09 3knn s ASP 32 Cb -0.01 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 40.03 3knn s ASP 32 CO -0.04 -0.78 0.98 0.33 -0.17 0.00 0.00 175.17 175.49 3knn n PHE 33 N -0.67 0.00 0.12 -5.34 7.35 -1.21 -1.48 117.46 116.24 3knn n PHE 33 Ca 0.08 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.77 3knn n PHE 33 Cb 0.51 -0.48 0.00 0.00 0.35 0.00 0.00 39.48 39.86 3knn n PHE 33 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 3knn n ASN 34 N -2.68 0.74 0.00 -2.13 4.13 -1.26 0.05 115.26 114.10 3knn n ASN 34 Ca 0.00 -0.64 0.00 0.00 1.68 0.00 0.00 54.58 55.62 3knn n ASN 34 Cb 0.00 -0.14 0.00 0.00 -1.54 0.00 0.00 39.78 38.10 3knn n ASN 34 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 3knn n GLU 35 N 1.16 0.33 0.01 3.52 2.13 -0.55 -4.60 120.64 122.64 3knn n GLU 35 Ca 0.00 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.81 3knn n GLU 35 Cb 0.10 -0.59 -0.00 0.00 0.27 0.00 0.00 31.44 31.22 3knn n GLU 35 CO 0.00 0.00 0.00 -0.92 -0.41 0.00 0.00 177.13 175.80 3knn h TYR 36 N 0.00 -0.03 -0.62 4.31 3.20 0.61 -3.33 116.97 121.11 3knn h TYR 36 Ca 0.00 -0.00 -0.49 0.00 3.14 0.00 0.00 58.73 61.38 3knn h TYR 36 Cb 0.18 0.01 -0.10 0.00 1.54 0.00 0.00 36.73 38.35 3knn h TYR 36 CO 0.00 -0.02 1.14 1.19 -1.64 0.00 0.00 178.16 178.83 3knn n PHE 37 N -2.50 1.49 -2.98 -3.82 3.01 -0.46 -4.85 117.46 107.34 3knn n PHE 37 Ca -0.00 -2.18 -0.43 0.00 1.01 0.00 0.00 57.45 55.84 3knn n PHE 37 Cb 0.01 -1.71 -0.05 0.00 -0.01 0.00 0.00 39.48 37.72 3knn n PHE 37 CO 0.00 0.00 0.00 -1.14 1.01 0.00 0.00 176.76 176.63 3knn s GLN 38 N -0.24 3.30 0.00 -1.08 -0.44 -1.25 -3.99 119.66 115.96 3knn s GLN 38 Ca 0.62 -0.36 0.00 0.00 -2.50 0.00 0.00 55.36 53.12 3knn s GLN 38 Cb 0.29 -4.01 0.00 0.00 -1.64 0.00 0.00 33.01 27.65 3knn s GLN 38 CO -0.11 -1.25 0.00 0.41 0.50 0.00 0.00 175.29 174.84 3knn n GLY 39 N 5.08 2.69 3.48 2.59 0.00 -1.26 -5.00 105.19 112.76 3knn n GLY 39 Ca -0.00 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.81 3knn n GLY 39 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3knn n LEU 40 N 0.00 0.49 0.00 0.99 4.77 -1.26 -4.62 117.00 117.38 3knn n LEU 40 Ca 0.00 0.18 0.02 0.00 -0.03 0.00 0.00 56.01 56.18 3knn n LEU 40 Cb 0.00 -0.97 0.11 0.00 -2.33 0.00 0.00 43.42 40.23 3knn n LEU 40 CO 0.00 -0.78 0.43 0.52 -1.33 0.00 0.00 177.39 176.22 3knn n VAL 41 N 7.45 0.58 -0.17 4.08 0.31 -1.26 -0.08 118.33 129.23 3knn n VAL 41 Ca 0.63 0.14 0.06 0.00 -0.01 0.00 0.00 64.34 65.16 3knn n VAL 41 Cb 0.06 -1.08 0.16 0.00 -0.91 0.00 0.00 33.84 32.08 3knn n VAL 41 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3knn n ARG 42 N -1.17 2.80 -0.29 5.55 0.63 -1.26 -4.56 116.66 118.36 3knn n ARG 42 Ca 0.02 -2.08 0.06 0.00 -0.92 0.00 0.00 57.85 54.94 3knn n ARG 42 Cb 0.02 -1.29 0.21 0.00 0.45 0.00 0.00 32.46 31.85 3knn n ARG 42 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3knn h ALA 43 N 2.21 1.25 0.00 5.13 0.00 -0.77 0.16 119.26 127.25 3knn h ALA 43 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3knn h ALA 43 Cb 0.75 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3knn h ALA 43 CO 0.00 -0.04 0.01 1.33 0.00 0.00 0.00 179.25 180.55 3knn n VAL 44 N -4.83 0.30 -0.13 0.00 0.24 -1.26 -2.30 118.33 110.34 3knn n VAL 44 Ca 0.16 0.09 -0.12 0.00 -2.04 0.00 0.00 64.34 62.43 3knn n VAL 44 Cb 0.39 -1.09 -0.02 0.00 -1.47 0.00 0.00 33.84 31.65 3knn n VAL 44 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3knn h ALA 45 N 1.70 0.52 -0.54 2.33 0.00 -1.03 -3.19 119.26 119.06 3knn h ALA 45 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3knn h ALA 45 Cb 0.03 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3knn h ALA 45 CO 0.00 0.45 0.00 0.00 0.00 0.00 0.00 179.25 179.70 3knn n ALA 46 N -2.47 -0.32 0.14 0.00 0.00 -0.97 -2.17 120.51 114.71 3knn n ALA 46 Ca -0.02 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.45 3knn n ALA 46 Cb 0.40 0.10 0.18 0.00 0.00 0.00 0.00 19.45 20.13 3knn n ALA 46 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3knn n LEU 47 N -1.92 0.17 -0.29 0.00 4.32 -1.26 -3.63 117.00 114.39 3knn n LEU 47 Ca 0.00 0.39 -0.11 0.00 -0.02 0.00 0.00 56.01 56.27 3knn n LEU 47 Cb 0.00 -0.27 -0.09 0.00 -1.62 0.00 0.00 43.42 41.43 3knn n LEU 47 CO 0.00 -0.45 0.49 -0.08 -1.22 0.00 0.00 177.39 176.13 3knn h GLU 48 N 0.00 -0.12 0.00 3.23 4.57 -1.42 -1.58 114.58 119.26 3knn h GLU 48 Ca 0.00 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 3knn h GLU 48 Cb 0.92 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.54 3knn h GLU 48 CO 0.00 -0.08 0.16 -0.35 -1.18 0.00 0.00 179.01 177.56 3knn n PRO 49 N -5.07 0.00 0.12 0.92 -0.04 -1.24 -0.04 135.00 129.65 3knn n PRO 49 Ca 0.00 0.25 -0.20 0.00 -0.04 0.00 0.00 63.50 63.51 3knn n PRO 49 Cb 0.26 -1.66 -0.15 0.00 -0.04 0.00 0.00 33.50 31.91 3knn n PRO 49 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3knn h LEU 50 N 0.00 0.60 -1.80 1.53 3.38 -1.57 -3.28 115.31 114.16 3knn h LEU 50 Ca 0.00 -0.64 0.44 0.00 0.09 0.00 0.00 57.88 57.76 3knn h LEU 50 Cb 0.33 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.82 3knn h LEU 50 CO 0.00 1.50 1.19 0.03 0.09 0.00 0.00 178.44 181.26 3knn h ARG 51 N 0.10 0.00 0.14 1.13 -0.00 -0.59 0.82 114.38 115.98 3knn h ARG 51 Ca -0.19 0.00 -0.26 0.00 -0.50 0.00 0.00 59.98 59.04 3knn h ARG 51 Cb 2.06 0.00 0.01 0.00 0.00 0.00 0.00 29.97 32.04 3knn h ARG 51 CO 0.23 0.00 -1.25 0.00 0.00 0.00 0.00 179.97 178.95 3knn h ALA 52 N 1.03 0.06 -0.00 0.04 0.00 -1.73 -3.34 119.26 115.32 3knn h ALA 52 Ca 0.72 -0.95 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3knn h ALA 52 Cb 3.09 0.33 0.00 0.00 0.00 0.00 0.00 17.79 21.21 3knn h ALA 52 CO -0.01 0.68 -0.01 1.33 0.00 0.00 0.00 179.25 181.24 3knn n VAL 53 N -3.95 0.00 0.00 0.00 0.24 0.25 -4.91 118.33 109.96 3knn n VAL 53 Ca -0.21 -0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.09 3knn n VAL 53 Cb 0.90 -0.46 0.00 0.00 -1.47 0.00 0.00 33.84 32.81 3knn n VAL 53 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3knn n ASP 54 N -1.18 0.00 -4.56 -1.34 8.00 0.84 -4.88 116.55 113.43 3knn n ASP 54 Ca 0.17 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.39 3knn n ASP 54 Cb 0.21 -0.08 -0.05 0.00 -0.02 0.00 0.00 41.12 41.19 3knn n ASP 54 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3knn s ALA 55 N -0.17 1.68 0.00 2.24 0.00 -1.26 -4.72 121.76 119.53 3knn s ALA 55 Ca 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 51.96 50.59 3knn s ALA 55 Cb 0.00 -4.53 0.00 0.00 0.00 0.00 0.00 23.12 18.59 3knn s ALA 55 CO 0.00 -4.76 0.00 -0.11 0.00 0.00 0.00 175.76 170.89 3knn n LEU 56 N 14.05 1.16 -2.03 0.00 0.00 -1.26 -4.52 117.00 124.40 3knn n LEU 56 Ca 0.38 0.09 -0.23 0.00 0.00 0.00 0.00 56.01 56.25 3knn n LEU 56 Cb 0.47 -0.16 0.15 0.00 0.00 0.00 0.00 43.42 43.89 3knn n LEU 56 CO 0.61 -0.16 1.15 0.61 0.00 0.00 0.00 177.39 179.60 3knn n GLY 57 N 2.27 5.03 0.08 -3.96 0.00 -1.26 -4.43 105.19 102.93 3knn n GLY 57 Ca 0.00 -1.51 -0.09 0.00 0.00 0.00 0.00 46.02 44.42 3knn n GLY 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3knn h HIS 58 N 1.31 0.06 -2.88 1.61 3.86 -1.75 -3.32 115.15 114.05 3knn h HIS 58 Ca 0.53 -0.05 -0.54 0.00 -1.16 0.00 0.00 60.37 59.16 3knn h HIS 58 Cb 2.05 -0.00 -0.16 0.00 1.06 0.00 0.00 27.41 30.36 3knn h HIS 58 CO 1.41 1.06 -0.77 -0.06 0.86 0.00 0.00 177.93 180.43 3knn s PHE 59 N -2.65 1.96 0.40 2.45 0.40 -1.25 -0.96 117.98 118.33 3knn s PHE 59 Ca -0.03 -0.45 0.05 0.00 -0.60 0.00 0.00 56.93 55.90 3knn s PHE 59 Cb 0.09 -0.92 0.07 0.00 0.51 0.00 0.00 43.02 42.77 3knn s PHE 59 CO 0.83 0.46 0.55 -0.25 0.70 0.00 0.00 175.22 177.51 3knn n ASP 60 N -0.15 1.31 -3.15 1.36 8.00 -1.12 -3.28 116.55 119.53 3knn n ASP 60 Ca -0.09 -1.97 0.05 0.00 0.71 0.00 0.00 54.79 53.48 3knn n ASP 60 Cb 0.59 -0.31 -0.00 0.00 -0.02 0.00 0.00 41.12 41.38 3knn n ASP 60 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3knn s ALA 61 N -2.55 -3.19 -0.61 2.24 0.00 -1.22 -3.01 121.76 113.42 3knn s ALA 61 Ca 0.41 1.31 -0.27 0.00 0.00 0.00 0.00 51.96 53.41 3knn s ALA 61 Cb -0.03 -2.61 0.03 0.00 0.00 0.00 0.00 23.12 20.51 3knn s ALA 61 CO 0.26 -1.83 1.16 -0.47 0.00 0.00 0.00 175.76 174.88 3knn s TYR 62 N 2.90 2.58 -0.15 0.00 5.04 -1.25 -0.06 117.35 126.40 3knn s TYR 62 Ca 0.17 0.23 -0.03 0.00 -2.44 0.00 0.00 57.07 54.99 3knn s TYR 62 Cb -0.07 -4.46 -0.03 0.00 0.35 0.00 0.00 41.96 37.75 3knn s TYR 62 CO -0.22 -1.64 -0.04 0.42 -1.34 0.00 0.00 175.55 172.73 3knn s ILE 63 N 4.92 3.89 -0.30 3.14 1.01 0.42 -3.69 121.20 130.59 3knn s ILE 63 Ca 0.39 -0.36 -0.00 0.00 0.00 0.00 0.00 60.65 60.67 3knn s ILE 63 Cb -0.09 -2.70 0.06 0.00 0.01 0.00 0.00 42.46 39.75 3knn s ILE 63 CO 0.22 0.50 -0.00 0.28 0.00 0.00 0.00 174.94 175.94 3knn s THR 64 N 0.29 2.78 -0.17 2.92 -1.32 -1.04 0.13 115.64 119.23 3knn s THR 64 Ca -0.03 -1.57 -0.05 0.00 -1.21 0.00 0.00 61.69 58.82 3knn s THR 64 Cb -0.14 -2.66 -0.03 0.00 -1.51 0.00 0.00 72.50 68.16 3knn s THR 64 CO 0.03 -0.18 -0.01 0.54 -2.21 0.00 0.00 174.62 172.79 3knn s VAL 65 N 1.18 4.13 -0.09 5.08 0.11 -1.26 -1.48 120.40 128.07 3knn s VAL 65 Ca -0.04 -0.27 -0.06 0.00 -2.93 0.00 0.00 61.98 58.68 3knn s VAL 65 Cb -0.20 -2.83 0.03 0.00 -1.53 0.00 0.00 36.38 31.85 3knn s VAL 65 CO -0.03 0.48 0.22 -0.13 -3.33 0.00 0.00 175.10 172.32 3knn s ARG 66 N 0.42 0.22 0.00 1.54 0.52 0.35 -4.87 118.95 117.13 3knn s ARG 66 Ca -0.02 0.41 0.00 0.00 -0.52 0.00 0.00 55.73 55.61 3knn s ARG 66 Cb -0.14 -0.02 0.00 0.00 0.52 0.00 0.00 34.95 35.31 3knn s ARG 66 CO 0.02 -0.10 0.00 0.41 0.02 0.00 0.00 175.30 175.65 3knn n GLY 67 N 3.67 1.36 1.77 -3.53 0.00 -1.26 -1.38 105.19 105.82 3knn n GLY 67 Ca -0.20 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.51 3knn n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3knn n GLY 68 N 2.84 0.61 3.22 -0.02 0.00 -0.36 -2.57 105.19 108.90 3knn n GLY 68 Ca 0.00 -1.51 -0.15 0.00 0.00 0.00 0.00 46.02 44.36 3knn n GLY 68 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3knn s GLY 69 N 0.00 0.97 0.66 -0.02 0.00 -1.26 -4.97 107.32 102.70 3knn s GLY 69 Ca 0.00 -1.34 0.21 0.00 0.00 0.00 0.00 44.72 43.59 3knn s GLY 69 CO 0.00 -1.43 1.64 0.50 0.00 0.00 0.00 173.10 173.82 3knn h LYS 70 N 3.19 0.00 0.00 2.90 1.57 -1.97 0.60 116.57 122.87 3knn h LYS 70 Ca -0.37 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.21 3knn h LYS 70 Cb 1.19 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.47 3knn h LYS 70 CO 0.58 0.00 -1.48 0.45 -0.57 0.00 0.00 179.45 178.43 3knn n SER 71 N -2.76 0.87 -0.01 0.86 2.88 -1.26 -3.08 113.62 111.13 3knn n SER 71 Ca -0.01 0.39 -0.10 0.00 -1.33 0.00 0.00 58.87 57.82 3knn n SER 71 Cb 0.56 0.09 -0.14 0.00 -0.75 0.00 0.00 64.21 63.97 3knn n SER 71 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 3knn h GLY 72 N 3.66 0.03 2.00 0.46 0.00 -0.88 -2.90 103.07 105.45 3knn h GLY 72 Ca -0.19 -0.09 -0.03 0.00 0.00 0.00 0.00 47.33 47.02 3knn h GLY 72 CO 0.05 0.08 -0.15 1.46 0.00 0.00 0.00 176.54 177.98 3knn h GLN 73 N 0.01 0.00 0.23 4.80 4.20 -0.11 0.38 115.11 124.62 3knn h GLN 73 Ca -0.26 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.43 3knn h GLN 73 Cb 1.99 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.77 3knn h GLN 73 CO 0.09 0.15 -0.11 0.82 -0.67 0.00 0.00 178.83 179.11 3knn h ILE 74 N 0.00 0.54 -0.89 2.54 2.04 -1.56 -0.91 117.51 119.27 3knn h ILE 74 Ca -0.00 -0.96 0.22 0.00 1.00 0.00 0.00 64.86 65.11 3knn h ILE 74 Cb 0.28 0.91 -0.06 0.00 -0.74 0.00 0.00 36.82 37.22 3knn h ILE 74 CO 0.02 0.14 0.60 0.44 0.00 0.00 0.00 178.15 179.35 3knn h ASP 75 N -0.96 0.30 0.28 1.72 3.32 -1.24 0.47 116.42 120.31 3knn h ASP 75 Ca -0.03 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 3knn h ASP 75 Cb 0.47 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.00 3knn h ASP 75 CO 0.05 0.12 -0.13 0.00 -1.72 0.00 0.00 179.24 177.56 3knn h ALA 76 N 1.60 -0.74 0.00 3.45 0.00 -0.22 -2.71 119.26 120.65 3knn h ALA 76 Ca 0.45 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.28 3knn h ALA 76 Cb 1.29 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.22 3knn h ALA 76 CO -0.14 -0.71 0.47 0.82 0.00 0.00 0.00 179.25 179.69 3knn h ILE 77 N -0.52 0.00 -0.06 0.00 2.04 -0.19 0.42 117.51 119.20 3knn h ILE 77 Ca -0.04 0.00 -0.23 0.00 1.00 0.00 0.00 64.86 65.59 3knn h ILE 77 Cb 0.28 0.42 0.01 0.00 -0.74 0.00 0.00 36.82 36.80 3knn h ILE 77 CO 0.06 0.00 -0.89 0.50 0.00 0.00 0.00 178.15 177.82 3knn h LYS 78 N 0.00 0.62 0.08 2.37 3.64 0.20 -3.22 116.57 120.25 3knn h LYS 78 Ca 0.00 -0.58 -0.26 0.00 -1.27 0.00 0.00 60.65 58.54 3knn h LYS 78 Cb 0.94 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.90 3knn h LYS 78 CO 0.00 1.20 -1.22 1.25 -2.27 0.00 0.00 179.45 178.40 3knn h LEU 79 N 0.38 0.25 -0.35 5.20 7.12 0.09 -3.29 115.31 124.72 3knn h LEU 79 Ca -0.08 -0.29 0.00 0.00 0.13 0.00 0.00 57.88 57.64 3knn h LEU 79 Cb 1.52 -0.08 0.00 0.00 -0.53 0.00 0.00 40.66 41.56 3knn h LEU 79 CO 0.17 1.23 0.00 0.61 -0.13 0.00 0.00 178.44 180.32 3knn n GLY 80 N 1.49 -1.24 0.05 3.75 0.00 -1.01 -1.15 105.19 107.09 3knn n GLY 80 Ca -0.07 0.02 -0.00 0.00 0.00 0.00 0.00 46.02 45.96 3knn n GLY 80 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3knn h ILE 81 N 0.00 0.00 -0.03 -0.61 1.08 -1.62 -2.85 117.51 113.48 3knn h ILE 81 Ca 0.00 -0.88 0.01 0.00 -0.39 0.00 0.00 64.86 63.60 3knn h ILE 81 Cb 0.37 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 34.12 3knn h ILE 81 CO 0.00 0.00 0.02 0.00 -0.69 0.00 0.00 178.15 177.48 3knn h ALA 82 N -1.12 1.83 0.00 1.87 0.00 -1.67 0.57 119.26 120.74 3knn h ALA 82 Ca -0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3knn h ALA 82 Cb 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3knn h ALA 82 CO 0.00 -0.04 -0.10 -0.09 0.00 0.00 0.00 179.25 179.03 3knn h ARG 83 N 0.00 0.00 0.00 0.00 2.43 -1.23 -2.55 114.38 113.03 3knn h ARG 83 Ca 0.01 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.05 3knn h ARG 83 Cb 0.06 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 3knn h ARG 83 CO -0.00 0.10 -0.84 0.00 -1.51 0.00 0.00 179.97 177.71 3knn h ALA 84 N 1.90 0.15 0.00 2.80 0.00 0.29 -3.28 119.26 121.12 3knn h ALA 84 Ca -0.00 -0.88 -0.01 0.00 0.00 0.00 0.00 54.91 54.01 3knn h ALA 84 Cb 0.64 0.55 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 3knn h ALA 84 CO 0.01 0.52 -0.07 1.37 0.00 0.00 0.00 179.25 181.09 3knn h LEU 85 N -1.00 0.00 0.00 0.00 8.10 -1.08 0.99 115.31 122.32 3knn h LEU 85 Ca -0.20 0.00 -0.07 0.00 0.11 0.00 0.00 57.88 57.72 3knn h LEU 85 Cb 1.00 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.21 3knn h LEU 85 CO -0.12 0.07 -0.44 1.62 -4.11 0.00 0.00 178.44 175.46 3knn h VAL 86 N 0.00 0.51 0.00 0.15 3.04 -1.63 -2.68 116.25 115.63 3knn h VAL 86 Ca -0.00 -1.74 0.00 0.00 -1.01 0.00 0.00 66.70 63.95 3knn h VAL 86 Cb 0.24 2.21 0.00 0.00 -2.01 0.00 0.00 31.29 31.72 3knn h VAL 86 CO 0.01 0.29 0.00 1.67 -1.01 0.00 0.00 177.57 178.53 3knn n GLN 87 N -3.13 0.07 -1.40 4.17 7.27 0.32 -2.36 117.38 122.32 3knn n GLN 87 Ca 0.02 0.21 0.01 0.00 0.07 0.00 0.00 57.00 57.30 3knn n GLN 87 Cb 0.67 -1.61 0.09 0.00 2.41 0.00 0.00 30.24 31.80 3knn n GLN 87 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 3knn n TYR 88 N -1.74 0.51 0.00 3.69 4.02 -1.05 -4.89 117.16 117.69 3knn n TYR 88 Ca 0.04 -1.29 0.00 0.00 -0.01 0.00 0.00 57.90 56.64 3knn n TYR 88 Cb 0.26 -0.22 0.00 0.00 -0.02 0.00 0.00 39.34 39.36 3knn n TYR 88 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3knn n ASN 89 N -0.39 0.00 -0.09 7.72 3.02 -1.00 -5.01 115.26 119.52 3knn n ASN 89 Ca 0.16 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.71 3knn n ASN 89 Cb 0.91 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.08 3knn n ASN 89 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3knn n PRO 90 N 0.00 0.31 0.00 3.52 -0.04 -1.14 -1.32 135.00 136.34 3knn n PRO 90 Ca 0.00 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.48 3knn n PRO 90 Cb 0.00 -1.03 -0.03 0.00 -0.04 0.00 0.00 33.50 32.40 3knn n PRO 90 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3knn n ASP 91 N -0.35 0.25 -1.03 3.54 8.00 -1.26 -4.48 116.55 121.22 3knn n ASP 91 Ca 0.00 -0.63 0.00 0.00 0.71 0.00 0.00 54.79 54.87 3knn n ASP 91 Cb 0.01 1.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.11 3knn n ASP 91 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3knn n TYR 92 N -1.12 0.00 -0.12 1.24 4.02 -0.43 -2.90 117.16 117.86 3knn n TYR 92 Ca 0.01 -0.47 -0.24 0.00 -0.01 0.00 0.00 57.90 57.18 3knn n TYR 92 Cb 0.08 -0.25 -0.11 0.00 -0.02 0.00 0.00 39.34 39.04 3knn n TYR 92 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 3knn n ARG 93 N 0.61 0.57 -0.36 -0.72 3.00 -1.26 -3.81 116.66 114.69 3knn n ARG 93 Ca 0.00 0.47 -0.03 0.00 -0.00 0.00 0.00 57.85 58.29 3knn n ARG 93 Cb 0.45 -1.66 -0.04 0.00 0.00 0.00 0.00 32.46 31.20 3knn n ARG 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3knn n ALA 94 N -3.69 3.15 0.00 5.13 0.00 -1.14 -1.56 120.51 122.40 3knn n ALA 94 Ca -0.39 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 52.58 3knn n ALA 94 Cb 0.75 -1.92 0.00 0.00 0.00 0.00 0.00 19.45 18.27 3knn n ALA 94 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3knn n LYS 95 N 2.29 0.00 -0.10 0.00 -0.00 -1.26 -4.75 118.16 114.34 3knn n LYS 95 Ca 0.11 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.30 3knn n LYS 95 Cb 0.34 -0.05 -0.04 0.00 -0.00 0.00 0.00 35.03 35.29 3knn n LYS 95 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 3knn h LEU 96 N 0.00 0.57 0.00 -5.58 5.85 -1.38 -2.86 115.31 111.91 3knn h LEU 96 Ca 0.00 -0.36 0.00 0.00 0.84 0.00 0.00 57.88 58.36 3knn h LEU 96 Cb 0.00 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 40.88 3knn h LEU 96 CO 0.00 0.80 -0.05 0.50 -0.34 0.00 0.00 178.44 179.34 3knn h LYS 97 N 0.33 0.00 0.00 1.25 3.64 -1.75 1.98 116.57 122.02 3knn h LYS 97 Ca 0.08 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3knn h LYS 97 Cb 0.54 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 3knn h LYS 97 CO 0.03 0.00 0.00 -2.30 -2.27 0.00 0.00 179.45 174.91 3knn n PRO 98 N -4.34 0.00 0.18 1.90 -0.02 -1.26 0.02 135.00 131.48 3knn n PRO 98 Ca -0.01 0.38 0.18 0.00 -2.02 0.00 0.00 63.50 62.03 3knn n PRO 98 Cb 0.03 -0.92 0.81 0.00 -0.02 0.00 0.00 33.50 33.39 3knn n PRO 98 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3knn h LEU 99 N 0.00 0.00 -1.86 2.45 7.12 -1.75 -3.47 115.31 117.80 3knn h LEU 99 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 3knn h LEU 99 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.13 3knn h LEU 99 CO 0.00 0.00 -0.12 0.61 -0.13 0.00 0.00 178.44 178.80 3knn n GLY 100 N -1.42 -3.27 0.26 3.75 0.00 0.10 -5.03 105.19 99.58 3knn n GLY 100 Ca 0.03 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.53 3knn n GLY 100 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3knn n PHE 101 N 0.23 0.00 -4.01 1.61 3.01 0.67 -4.93 117.46 114.04 3knn n PHE 101 Ca 0.00 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.25 3knn n PHE 101 Cb 0.00 0.11 -0.17 0.00 -0.01 0.00 0.00 39.48 39.41 3knn n PHE 101 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 3knn s LEU 102 N 0.00 1.08 0.00 4.37 1.98 -1.21 -4.76 118.68 120.13 3knn s LEU 102 Ca 0.00 -0.11 0.00 0.00 -2.89 0.00 0.00 54.13 51.13 3knn s LEU 102 Cb 0.00 -0.44 0.00 0.00 0.66 0.00 0.00 46.19 46.41 3knn s LEU 102 CO 0.00 -0.10 0.00 0.41 -1.89 0.00 0.00 176.35 174.77 3knn n THR 103 N 4.43 0.00 -0.39 3.68 -1.04 -1.26 -4.97 114.28 114.73 3knn n THR 103 Ca -0.19 0.00 0.37 0.00 -2.04 0.00 0.00 64.05 62.19 3knn n THR 103 Cb 0.50 0.00 0.59 0.00 -1.82 0.00 0.00 70.33 69.61 3knn n THR 103 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 3knn h ARG 104 N 0.00 0.00 -4.60 -2.82 2.47 -1.98 -3.45 114.38 104.00 3knn h ARG 104 Ca 0.00 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.69 3knn h ARG 104 Cb 0.00 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 28.34 3knn h ARG 104 CO 0.00 0.00 -0.10 -3.47 0.56 0.00 0.00 179.97 176.96 3knn n ASP 105 N -3.53 -5.75 0.21 7.04 4.64 -1.26 -4.33 116.55 113.57 3knn n ASP 105 Ca 0.31 -0.12 0.07 0.00 -1.38 0.00 0.00 54.79 53.66 3knn n ASP 105 Cb 1.68 -3.85 0.36 0.00 -1.04 0.00 0.00 41.12 38.28 3knn n ASP 105 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3knn h ALA 106 N 0.24 1.33 -0.68 -1.67 0.00 -1.96 -3.42 119.26 113.10 3knn h ALA 106 Ca -0.07 0.00 -0.76 0.00 0.00 0.00 0.00 54.91 54.08 3knn h ALA 106 Cb 1.04 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 3knn h ALA 106 CO 0.22 -0.33 1.18 0.54 0.00 0.00 0.00 179.25 180.85 3knn n ARG 107 N -2.20 0.45 -3.72 0.00 1.74 -1.26 -4.86 116.66 106.81 3knn n ARG 107 Ca -0.01 0.14 -0.13 0.00 -0.77 0.00 0.00 57.85 57.08 3knn n ARG 107 Cb 0.45 -1.83 -0.08 0.00 -1.02 0.00 0.00 32.46 29.98 3knn n ARG 107 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3knn s VAL 108 N 5.45 0.06 -0.30 1.55 -7.23 -1.26 -4.58 120.40 114.09 3knn s VAL 108 Ca 1.12 -0.46 -0.36 0.00 -1.81 0.00 0.00 61.98 60.46 3knn s VAL 108 Cb -1.27 -0.77 -0.12 0.00 0.56 0.00 0.00 36.38 34.78 3knn s VAL 108 CO 0.64 -0.26 2.05 0.52 -0.31 0.00 0.00 175.10 177.75 3knn n VAL 109 N 0.99 0.27 -3.59 1.32 0.31 -1.26 -4.91 118.33 111.44 3knn n VAL 109 Ca -0.20 -0.19 -0.37 0.00 -0.01 0.00 0.00 64.34 63.56 3knn n VAL 109 Cb 0.57 -1.57 -0.06 0.00 -0.91 0.00 0.00 33.84 31.87 3knn n VAL 109 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 3knn s GLU 110 N 5.36 3.92 0.04 5.55 -1.05 -1.26 -5.02 118.70 126.24 3knn s GLU 110 Ca 1.05 0.19 -0.10 0.00 -0.15 0.00 0.00 54.97 55.96 3knn s GLU 110 Cb -0.89 -3.28 -0.06 0.00 -0.44 0.00 0.00 34.13 29.46 3knn s GLU 110 CO 0.53 0.56 0.22 -2.13 0.95 0.00 0.00 175.26 175.39 3knn n ARG 111 N 2.44 0.00 -2.79 -4.83 0.63 -1.26 -4.87 116.66 105.98 3knn n ARG 111 Ca -0.15 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.36 3knn n ARG 111 Cb 0.53 -0.36 -0.03 0.00 0.45 0.00 0.00 32.46 33.05 3knn n ARG 111 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 3knn s LYS 112 N -0.20 4.17 0.39 -0.14 2.20 -1.26 -4.58 119.74 120.32 3knn s LYS 112 Ca 0.22 1.06 -0.11 0.00 -0.36 0.00 0.00 55.97 56.79 3knn s LYS 112 Cb -0.32 -3.66 -0.07 0.00 -1.51 0.00 0.00 37.83 32.27 3knn s LYS 112 CO 0.17 -0.62 0.76 0.15 -0.36 0.00 0.00 175.35 175.45 3knn s LYS 113 N 3.07 3.81 0.82 4.03 3.01 -1.26 -4.84 119.74 128.38 3knn s LYS 113 Ca 0.39 0.49 -0.11 0.00 -1.01 0.00 0.00 55.97 55.73 3knn s LYS 113 Cb -0.15 -2.40 0.09 0.00 -1.01 0.00 0.00 37.83 34.36 3knn s LYS 113 CO 0.08 0.00 1.13 1.52 0.51 0.00 0.00 175.35 178.59 3knn s TYR 114 N -2.30 2.14 -1.43 3.18 -0.00 -1.26 -3.45 117.35 114.23 3knn s TYR 114 Ca 0.52 1.66 0.00 0.00 -0.00 0.00 0.00 57.07 59.24 3knn s TYR 114 Cb -0.10 -3.22 0.00 0.00 -0.00 0.00 0.00 41.96 38.64 3knn s TYR 114 CO 0.29 -2.28 0.00 0.41 -0.00 0.00 0.00 175.55 173.97 3knn n GLY 115 N -0.43 -0.22 3.20 5.49 0.00 -1.26 -4.98 105.19 107.00 3knn n GLY 115 Ca 0.11 -0.19 0.01 0.00 0.00 0.00 0.00 46.02 45.95 3knn n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3knn s LYS 116 N -4.76 0.54 0.42 1.61 1.02 -1.22 -4.54 119.74 112.80 3knn s LYS 116 Ca 0.00 1.02 0.29 0.00 0.02 0.00 0.00 55.97 57.30 3knn s LYS 116 Cb 0.00 0.47 1.45 0.00 -0.52 0.00 0.00 37.83 39.23 3knn s LYS 116 CO 0.00 -0.54 1.59 0.45 -0.92 0.00 0.00 175.35 175.92 3knn h HIS 117 N 8.03 0.60 -0.84 3.18 3.86 -1.72 -2.73 115.15 125.52 3knn h HIS 117 Ca -0.22 0.03 -0.34 0.00 -1.16 0.00 0.00 60.37 58.69 3knn h HIS 117 Cb 1.15 -0.14 -0.40 0.00 1.06 0.00 0.00 27.41 29.08 3knn h HIS 117 CO 0.12 -0.32 -1.15 1.63 0.86 0.00 0.00 177.93 179.07 3knn n LYS 118 N -4.86 1.44 -0.31 2.45 5.02 -1.25 -4.96 118.16 115.69 3knn n LYS 118 Ca 0.39 -3.39 0.00 0.00 -2.02 0.00 0.00 58.31 53.29 3knn n LYS 118 Cb 1.47 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 35.08 3knn n LYS 118 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3knn n ALA 119 N -0.25 0.00 0.00 7.82 0.00 -1.03 -3.90 120.51 123.15 3knn n ALA 119 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 3knn n ALA 119 Cb 0.81 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 19.71 3knn n ALA 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3knn n ARG 120 N -2.00 0.00 -1.60 0.00 1.74 -1.26 -4.44 116.66 109.10 3knn n ARG 120 Ca 0.00 0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 56.86 3knn n ARG 120 Cb 0.00 -0.05 -0.05 0.00 -1.02 0.00 0.00 32.46 31.33 3knn n ARG 120 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3knn s ARG 121 N -1.23 1.82 0.55 5.56 3.00 -1.25 -4.90 118.95 122.50 3knn s ARG 121 Ca 0.00 0.77 -0.20 0.00 -1.00 0.00 0.00 55.73 55.30 3knn s ARG 121 Cb 0.00 -4.72 -0.05 0.00 0.00 0.00 0.00 34.95 30.18 3knn s ARG 121 CO 0.00 -3.98 1.18 0.00 0.00 0.00 0.00 175.30 172.50 3knn s ALA 122 N 13.63 2.70 0.76 6.12 0.00 -1.26 -2.07 121.76 141.64 3knn s ALA 122 Ca 0.93 0.96 -0.13 0.00 0.00 0.00 0.00 51.96 53.71 3knn s ALA 122 Cb -0.14 -3.42 0.06 0.00 0.00 0.00 0.00 23.12 19.62 3knn s ALA 122 CO 0.14 -0.94 1.16 -1.25 0.00 0.00 0.00 175.76 174.87 3knn s PRO 123 N -3.15 2.05 -0.27 0.00 0.04 -1.26 -4.85 135.00 127.55 3knn s PRO 123 Ca 0.73 1.57 -0.32 0.00 0.04 0.00 0.00 61.00 63.01 3knn s PRO 123 Cb -0.29 -1.84 -0.09 0.00 0.04 0.00 0.00 34.50 32.32 3knn s PRO 123 CO 0.32 -1.87 2.17 1.04 0.04 0.00 0.00 177.00 178.71 3knn n GLN 124 N -3.09 1.54 -0.91 4.56 1.13 -1.26 -4.95 117.38 114.40 3knn n GLN 124 Ca 0.12 0.44 -0.31 0.00 -1.94 0.00 0.00 57.00 55.31 3knn n GLN 124 Cb 0.51 -2.79 0.14 0.00 0.11 0.00 0.00 30.24 28.22 3knn n GLN 124 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 3knn s TYR 125 N 7.38 1.98 0.00 1.08 6.04 -1.26 -4.97 117.35 127.60 3knn s TYR 125 Ca 1.04 1.69 0.00 0.00 0.04 0.00 0.00 57.07 59.84 3knn s TYR 125 Cb -0.64 -3.23 0.00 0.00 -1.04 0.00 0.00 41.96 37.06 3knn s TYR 125 CO 0.44 -2.45 0.00 0.43 -1.54 0.00 0.00 175.55 172.43 3knn n SER 126 N -3.98 0.28 0.00 4.32 7.64 -1.26 -5.00 113.62 115.62 3knn n SER 126 Ca 0.11 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.99 3knn n SER 126 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 3knn n SER 126 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 3knn n LYS 127 N -1.94 0.00 0.00 1.43 4.81 -1.26 -5.37 118.16 115.84 3knn n LYS 127 Ca 0.00 0.00 0.08 0.00 -0.87 0.00 0.00 58.31 57.52 3knn n LYS 127 Cb 0.05 -0.29 0.06 0.00 0.02 0.00 0.00 35.03 34.88 3knn n LYS 127 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46