#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knl s GLN 3 N 0.00 2.35 -0.35 5.31 -0.21 -1.26 -4.60 119.66 120.89 3knl s GLN 3 Ca 0.00 -1.45 -0.13 0.00 0.02 0.00 0.00 55.36 53.80 3knl s GLN 3 Cb 0.00 -3.45 -0.00 0.00 1.00 0.00 0.00 33.01 30.56 3knl s GLN 3 CO 0.00 -0.82 0.24 0.71 -2.12 0.00 0.00 175.29 173.30 3knl s TYR 4 N 1.27 3.23 0.23 0.91 1.51 -0.95 -4.95 117.35 118.59 3knl s TYR 4 Ca 0.01 -0.41 0.01 0.00 -1.01 0.00 0.00 57.07 55.67 3knl s TYR 4 Cb -0.21 -2.48 0.01 0.00 -0.11 0.00 0.00 41.96 39.17 3knl s TYR 4 CO -0.01 -0.45 0.09 0.98 -1.11 0.00 0.00 175.55 175.05 3knl n TYR 5 N 5.09 -0.27 0.00 2.71 -0.00 -1.26 0.10 117.16 123.53 3knl n TYR 5 Ca -0.12 -1.05 0.00 0.00 -0.00 0.00 0.00 57.90 56.72 3knl n TYR 5 Cb 0.49 -0.17 0.00 0.00 -0.00 0.00 0.00 39.34 39.66 3knl n TYR 5 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 3knl n GLY 6 N 2.25 4.00 3.50 2.98 0.00 -1.22 -3.81 105.19 112.88 3knl n GLY 6 Ca -0.05 -0.44 -0.37 0.00 0.00 0.00 0.00 46.02 45.15 3knl n GLY 6 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3knl s THR 7 N -1.33 4.71 0.01 2.61 2.01 -1.26 -3.11 115.64 119.28 3knl s THR 7 Ca 0.00 -0.06 -0.01 0.00 0.31 0.00 0.00 61.69 61.93 3knl s THR 7 Cb 0.00 -3.23 -0.04 0.00 0.01 0.00 0.00 72.50 69.24 3knl s THR 7 CO 0.00 0.29 0.12 -0.83 -0.69 0.00 0.00 174.62 173.51 3knl s GLY 8 N 1.67 2.08 -0.29 4.40 0.00 -0.63 -4.38 107.32 110.17 3knl s GLY 8 Ca 0.06 -0.86 -0.19 0.00 0.00 0.00 0.00 44.72 43.73 3knl s GLY 8 CO 0.07 -0.76 1.22 -1.60 0.00 0.00 0.00 173.10 172.02 3knl s ARG 9 N -1.97 0.18 -0.27 2.90 3.52 -1.23 -1.18 118.95 120.90 3knl s ARG 9 Ca 0.26 0.27 -0.00 0.00 -0.13 0.00 0.00 55.73 56.13 3knl s ARG 9 Cb -0.12 0.06 0.14 0.00 -1.56 0.00 0.00 34.95 33.47 3knl s ARG 9 CO 0.18 -0.03 0.37 1.03 -0.81 0.00 0.00 175.30 176.03 3knl s ARG 10 N 0.75 0.36 -0.35 5.12 0.52 0.15 -4.67 118.95 120.82 3knl s ARG 10 Ca -0.03 0.22 -0.08 0.00 -0.52 0.00 0.00 55.73 55.32 3knl s ARG 10 Cb -0.04 -0.48 0.01 0.00 0.52 0.00 0.00 34.95 34.96 3knl s ARG 10 CO -0.12 -0.88 0.28 1.17 0.02 0.00 0.00 175.30 175.77 3knl n LYS 11 N 5.35 -2.86 0.00 3.54 4.81 -1.26 -3.06 118.16 124.68 3knl n LYS 11 Ca -0.02 2.39 0.00 0.00 -0.87 0.00 0.00 58.31 59.81 3knl n LYS 11 Cb 0.49 -5.22 0.00 0.00 0.02 0.00 0.00 35.03 30.32 3knl n LYS 11 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 3knl n GLU 12 N 0.28 0.00 -2.63 1.64 -0.58 -1.26 -4.62 120.64 113.46 3knl n GLU 12 Ca 0.05 0.00 -0.43 0.00 -0.42 0.00 0.00 57.16 56.36 3knl n GLU 12 Cb 0.24 -3.17 -0.02 0.00 -0.57 0.00 0.00 31.44 27.92 3knl n GLU 12 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3knl s ALA 13 N -0.32 3.18 -0.24 0.62 0.00 -1.17 -3.34 121.76 120.49 3knl s ALA 13 Ca 0.00 -0.51 -0.03 0.00 0.00 0.00 0.00 51.96 51.42 3knl s ALA 13 Cb 0.00 -3.85 0.01 0.00 0.00 0.00 0.00 23.12 19.28 3knl s ALA 13 CO 0.00 -2.20 -0.04 0.08 0.00 0.00 0.00 175.76 173.60 3knl s VAL 14 N 4.32 3.22 -0.03 0.00 1.01 -1.15 -0.68 120.40 127.10 3knl s VAL 14 Ca 0.46 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.74 3knl s VAL 14 Cb -0.08 -2.54 0.02 0.00 0.00 0.00 0.00 36.38 33.78 3knl s VAL 14 CO 0.30 0.31 -0.03 0.00 0.00 0.00 0.00 175.10 175.68 3knl s ALA 15 N 1.42 0.47 0.01 5.51 0.00 -0.32 -0.53 121.76 128.33 3knl s ALA 15 Ca 0.04 -0.03 -0.15 0.00 0.00 0.00 0.00 51.96 51.82 3knl s ALA 15 Cb -0.15 -0.29 -0.06 0.00 0.00 0.00 0.00 23.12 22.62 3knl s ALA 15 CO -0.03 0.01 0.41 1.03 0.00 0.00 0.00 175.76 177.18 3knl s ARG 16 N 0.62 3.92 -0.27 0.00 0.52 -1.04 -1.60 118.95 121.09 3knl s ARG 16 Ca -0.07 0.41 0.03 0.00 -0.52 0.00 0.00 55.73 55.57 3knl s ARG 16 Cb -0.10 -3.20 0.07 0.00 0.52 0.00 0.00 34.95 32.23 3knl s ARG 16 CO -0.00 0.68 -0.07 0.08 0.02 0.00 0.00 175.30 176.01 3knl s VAL 17 N -1.10 2.02 -0.22 3.52 1.01 -1.18 -2.14 120.40 122.30 3knl s VAL 17 Ca 0.25 -1.66 -0.06 0.00 0.00 0.00 0.00 61.98 60.51 3knl s VAL 17 Cb -0.17 -2.23 -0.02 0.00 0.00 0.00 0.00 36.38 33.96 3knl s VAL 17 CO 0.14 -0.16 0.02 -0.36 0.00 0.00 0.00 175.10 174.74 3knl s PHE 18 N 1.14 3.06 0.13 5.22 2.99 -0.30 -3.45 117.98 126.77 3knl s PHE 18 Ca -0.04 -0.46 0.06 0.00 0.00 0.00 0.00 56.93 56.48 3knl s PHE 18 Cb -0.20 -2.13 -0.04 0.00 0.00 0.00 0.00 43.02 40.65 3knl s PHE 18 CO -0.06 -0.28 -0.01 -0.51 -0.00 0.00 0.00 175.22 174.35 3knl s LEU 19 N 1.19 3.35 -0.08 -0.37 1.43 0.28 -0.56 118.68 123.92 3knl s LEU 19 Ca 0.03 -0.29 -0.06 0.00 -1.03 0.00 0.00 54.13 52.79 3knl s LEU 19 Cb -0.14 -2.06 0.03 0.00 0.03 0.00 0.00 46.19 44.04 3knl s LEU 19 CO 0.02 0.14 0.21 -0.13 0.23 0.00 0.00 176.35 176.82 3knl s ARG 20 N -2.55 0.21 0.14 1.70 3.00 -1.25 -2.25 118.95 117.95 3knl s ARG 20 Ca 0.26 0.36 -0.31 0.00 0.00 0.00 0.00 55.73 56.04 3knl s ARG 20 Cb -0.11 0.01 -0.10 0.00 0.00 0.00 0.00 34.95 34.75 3knl s ARG 20 CO 0.18 -0.08 1.72 -2.14 0.00 0.00 0.00 175.30 174.98 3knl s PRO 21 N 0.56 4.16 0.00 3.54 0.02 -1.26 0.29 135.00 142.31 3knl s PRO 21 Ca -0.04 2.50 0.00 0.00 0.02 0.00 0.00 61.00 63.48 3knl s PRO 21 Cb -0.05 -3.40 0.00 0.00 0.02 0.00 0.00 34.50 31.07 3knl s PRO 21 CO -0.03 -0.76 0.00 0.41 -0.33 0.00 0.00 177.00 176.29 3knl n GLY 22 N 4.04 0.88 0.30 0.52 0.00 0.42 -4.66 105.19 106.70 3knl n GLY 22 Ca 0.16 -0.72 0.02 0.00 0.00 0.00 0.00 46.02 45.48 3knl n GLY 22 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3knl h ASN 23 N 0.00 -0.79 0.00 1.61 -0.26 -1.86 -3.23 115.58 111.05 3knl h ASN 23 Ca 0.00 0.24 0.00 0.00 -0.56 0.00 0.00 56.30 55.98 3knl h ASN 23 Cb 0.00 0.51 0.00 0.00 -1.06 0.00 0.00 38.32 37.77 3knl h ASN 23 CO 0.00 -0.27 0.00 0.61 -1.06 0.00 0.00 177.43 176.71 3knl n GLY 24 N -1.52 0.71 3.76 2.83 0.00 -1.24 -4.04 105.19 105.70 3knl n GLY 24 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 3knl n GLY 24 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3knl s LYS 25 N 0.00 3.69 0.17 1.61 -2.85 -1.26 -4.73 119.74 116.37 3knl s LYS 25 Ca 0.00 2.13 0.09 0.00 -1.00 0.00 0.00 55.97 57.19 3knl s LYS 25 Cb 0.00 -2.56 -0.04 0.00 -2.06 0.00 0.00 37.83 33.17 3knl s LYS 25 CO 0.00 -0.71 -0.19 0.08 0.10 0.00 0.00 175.35 174.63 3knl s VAL 26 N -1.32 1.85 -0.14 1.79 1.01 -1.26 0.10 120.40 122.44 3knl s VAL 26 Ca 0.62 -1.93 -0.20 0.00 0.00 0.00 0.00 61.98 60.48 3knl s VAL 26 Cb -0.37 -1.86 0.05 0.00 0.00 0.00 0.00 36.38 34.19 3knl s VAL 26 CO 0.47 -0.31 0.51 -0.89 0.00 0.00 0.00 175.10 174.88 3knl s THR 27 N -2.04 0.01 -0.31 3.92 2.01 0.69 -2.89 115.64 117.04 3knl s THR 27 Ca 0.16 -0.09 -0.01 0.00 0.31 0.00 0.00 61.69 62.07 3knl s THR 27 Cb -0.06 -0.75 0.10 0.00 0.01 0.00 0.00 72.50 71.80 3knl s THR 27 CO 0.07 -0.05 0.09 -0.69 -0.69 0.00 0.00 174.62 173.35 3knl s VAL 28 N -0.27 0.94 -1.06 3.82 1.01 -0.91 0.57 120.40 124.50 3knl s VAL 28 Ca -0.04 -1.42 -0.00 0.00 0.00 0.00 0.00 61.98 60.52 3knl s VAL 28 Cb -0.03 -1.70 -0.00 0.00 0.00 0.00 0.00 36.38 34.64 3knl s VAL 28 CO 0.03 -0.65 0.88 0.59 0.00 0.00 0.00 175.10 175.95 3knl n ASN 29 N 4.82 -2.07 0.00 3.32 4.13 0.61 -3.43 115.26 122.63 3knl n ASN 29 Ca -0.02 -0.55 0.00 0.00 1.68 0.00 0.00 54.58 55.69 3knl n ASN 29 Cb 0.42 -4.59 0.00 0.00 -1.54 0.00 0.00 39.78 34.07 3knl n ASN 29 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3knl n GLY 30 N -1.12 2.82 3.86 7.41 0.00 -1.26 -5.02 105.19 111.87 3knl n GLY 30 Ca -0.25 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.41 3knl n GLY 30 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3knl s GLN 31 N -0.08 3.78 -0.16 1.61 -0.21 -1.22 -5.01 119.66 118.37 3knl s GLN 31 Ca 0.00 0.22 -0.32 0.00 0.02 0.00 0.00 55.36 55.27 3knl s GLN 31 Cb 0.00 -3.10 -0.10 0.00 1.00 0.00 0.00 33.01 30.82 3knl s GLN 31 CO 0.00 0.63 2.04 -3.47 -2.12 0.00 0.00 175.29 172.37 3knl n ASP 32 N 1.32 3.24 -0.13 5.90 -0.08 -1.26 -2.15 116.55 123.40 3knl n ASP 32 Ca -0.11 0.67 -0.03 0.00 -1.51 0.00 0.00 54.79 53.80 3knl n ASP 32 Cb 0.53 -1.41 -0.03 0.00 2.34 0.00 0.00 41.12 42.54 3knl n ASP 32 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 3knl n PHE 33 N 8.61 -0.14 0.21 -0.67 7.35 -1.14 0.15 117.46 131.83 3knl n PHE 33 Ca 0.28 0.40 0.00 0.00 -0.76 0.00 0.00 57.45 57.36 3knl n PHE 33 Cb 0.33 -0.49 0.00 0.00 0.35 0.00 0.00 39.48 39.67 3knl n PHE 33 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 3knl n ASN 34 N -4.22 0.87 0.00 -2.13 4.13 -1.26 -1.40 115.26 111.25 3knl n ASN 34 Ca 0.01 -0.64 0.00 0.00 1.68 0.00 0.00 54.58 55.63 3knl n ASN 34 Cb 0.08 -0.15 0.00 0.00 -1.54 0.00 0.00 39.78 38.17 3knl n ASN 34 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 3knl n GLU 35 N 1.01 0.51 0.18 3.52 2.13 0.40 -4.24 120.64 124.15 3knl n GLU 35 Ca 0.00 0.00 0.07 0.00 0.66 0.00 0.00 57.16 57.89 3knl n GLU 35 Cb 0.13 -0.62 0.13 0.00 0.27 0.00 0.00 31.44 31.35 3knl n GLU 35 CO 0.00 0.00 0.00 -0.92 -0.41 0.00 0.00 177.13 175.80 3knl h TYR 36 N 0.00 0.00 -0.07 4.31 3.20 -1.19 -3.11 116.97 120.11 3knl h TYR 36 Ca 0.00 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.79 3knl h TYR 36 Cb 0.24 0.00 -0.11 0.00 1.54 0.00 0.00 36.73 38.39 3knl h TYR 36 CO 0.00 0.31 -0.63 1.19 -1.64 0.00 0.00 178.16 177.38 3knl n PHE 37 N -3.20 0.25 -1.89 -3.82 0.99 -1.03 -5.04 117.46 103.72 3knl n PHE 37 Ca 0.02 -1.39 -0.42 0.00 -0.00 0.00 0.00 57.45 55.66 3knl n PHE 37 Cb 0.63 -0.24 -0.02 0.00 -1.00 0.00 0.00 39.48 38.85 3knl n PHE 37 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.76 175.62 3knl s GLN 38 N -2.71 4.19 -1.51 -1.08 -0.44 -1.18 -2.26 119.66 114.68 3knl s GLN 38 Ca 0.38 2.43 0.00 0.00 -2.50 0.00 0.00 55.36 55.68 3knl s GLN 38 Cb 0.38 -3.09 0.00 0.00 -1.64 0.00 0.00 33.01 28.66 3knl s GLN 38 CO -0.08 -0.56 0.00 0.41 0.50 0.00 0.00 175.29 175.56 3knl n GLY 39 N 2.69 1.35 2.70 2.59 0.00 -1.26 -4.84 105.19 108.42 3knl n GLY 39 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 3knl n GLY 39 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3knl n LEU 40 N -1.93 6.97 0.00 0.99 0.00 -0.96 -5.00 117.00 117.06 3knl n LEU 40 Ca -0.14 -5.40 0.00 0.00 0.00 0.00 0.00 56.01 50.46 3knl n LEU 40 Cb 0.47 -1.12 0.00 0.00 0.00 0.00 0.00 43.42 42.77 3knl n LEU 40 CO 0.22 2.05 0.00 0.52 0.00 0.00 0.00 177.39 180.17 3knl n VAL 41 N 0.06 0.00 -1.13 1.96 0.31 -1.26 -3.33 118.33 114.95 3knl n VAL 41 Ca 0.43 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.65 3knl n VAL 41 Cb 0.28 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.15 3knl n VAL 41 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3knl n ARG 42 N 0.00 0.03 0.00 5.55 0.63 -1.26 -4.21 116.66 117.40 3knl n ARG 42 Ca 0.00 -0.73 0.00 0.00 -0.92 0.00 0.00 57.85 56.20 3knl n ARG 42 Cb 0.00 -2.23 0.00 0.00 0.45 0.00 0.00 32.46 30.68 3knl n ARG 42 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3knl n ALA 43 N 10.35 1.94 0.36 5.13 0.00 -1.21 -4.66 120.51 132.43 3knl n ALA 43 Ca 0.21 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.72 3knl n ALA 43 Cb 0.44 0.34 0.32 0.00 0.00 0.00 0.00 19.45 20.56 3knl n ALA 43 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3knl n VAL 44 N -2.12 1.13 0.12 0.00 0.24 -1.26 -2.11 118.33 114.33 3knl n VAL 44 Ca 0.00 0.32 0.04 0.00 -2.04 0.00 0.00 64.34 62.67 3knl n VAL 44 Cb 0.41 -1.18 0.47 0.00 -1.47 0.00 0.00 33.84 32.07 3knl n VAL 44 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3knl h ALA 45 N 2.32 1.72 -0.57 2.33 0.00 -1.91 -2.57 119.26 120.58 3knl h ALA 45 Ca 0.00 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 3knl h ALA 45 Cb 0.22 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3knl h ALA 45 CO 0.00 0.22 0.13 0.00 0.00 0.00 0.00 179.25 179.60 3knl h ALA 46 N 1.78 1.16 -0.44 0.00 0.00 -1.59 -2.23 119.26 117.93 3knl h ALA 46 Ca 0.07 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3knl h ALA 46 Cb 0.11 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3knl h ALA 46 CO -0.00 0.57 0.00 1.28 0.00 0.00 0.00 179.25 181.10 3knl n LEU 47 N -4.26 3.39 0.17 0.00 4.32 -0.98 -4.02 117.00 115.62 3knl n LEU 47 Ca 0.04 -1.71 0.06 0.00 -0.02 0.00 0.00 56.01 54.38 3knl n LEU 47 Cb 0.24 -0.48 0.14 0.00 -1.62 0.00 0.00 43.42 41.70 3knl n LEU 47 CO 0.41 0.58 0.61 -0.08 -1.22 0.00 0.00 177.39 177.69 3knl h GLU 48 N 2.78 0.00 0.00 3.23 4.57 -1.21 -3.02 114.58 120.93 3knl h GLU 48 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3knl h GLU 48 Cb 1.07 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.66 3knl h GLU 48 CO 0.16 0.34 0.00 -1.00 -1.18 0.00 0.00 179.01 177.33 3knl h PRO 49 N 0.00 0.00 0.00 0.92 0.13 -1.75 -2.61 132.00 128.68 3knl h PRO 49 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3knl h PRO 49 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3knl h PRO 49 CO 0.04 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.09 3knl n LEU 50 N -2.29 0.00 -0.05 1.56 4.77 -1.14 -3.57 117.00 116.28 3knl n LEU 50 Ca 0.01 0.32 -0.20 0.00 -0.03 0.00 0.00 56.01 56.11 3knl n LEU 50 Cb 0.20 -0.32 -0.13 0.00 -2.33 0.00 0.00 43.42 40.84 3knl n LEU 50 CO 0.18 -0.01 -0.27 0.03 -1.33 0.00 0.00 177.39 175.98 3knl h ARG 51 N 0.00 0.11 0.00 3.23 -0.00 -1.65 -1.51 114.38 114.57 3knl h ARG 51 Ca 0.00 -0.19 0.00 0.00 -0.50 0.00 0.00 59.98 59.29 3knl h ARG 51 Cb 0.31 0.07 0.00 0.00 0.00 0.00 0.00 29.97 30.35 3knl h ARG 51 CO 0.00 1.09 0.04 0.00 0.00 0.00 0.00 179.97 181.10 3knl n ALA 52 N -3.03 0.93 0.44 0.04 0.00 -1.23 0.21 120.51 117.87 3knl n ALA 52 Ca -0.24 0.04 0.05 0.00 0.00 0.00 0.00 53.44 53.30 3knl n ALA 52 Cb 0.74 -0.99 -0.06 0.00 0.00 0.00 0.00 19.45 19.13 3knl n ALA 52 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3knl n VAL 53 N -1.64 0.00 0.00 0.00 0.24 -1.23 -5.00 118.33 110.70 3knl n VAL 53 Ca -0.00 -0.25 0.00 0.00 -2.04 0.00 0.00 64.34 62.04 3knl n VAL 53 Cb 0.05 0.92 0.00 0.00 -1.47 0.00 0.00 33.84 33.34 3knl n VAL 53 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3knl n ASP 54 N -1.31 0.00 -3.57 -1.34 8.00 0.56 -4.82 116.55 114.08 3knl n ASP 54 Ca 0.02 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.11 3knl n ASP 54 Cb 0.18 -0.19 -0.01 0.00 -0.02 0.00 0.00 41.12 41.08 3knl n ASP 54 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3knl n ALA 55 N 0.37 6.13 0.23 2.24 0.00 -1.21 -4.60 120.51 123.68 3knl n ALA 55 Ca 0.00 -3.69 0.13 0.00 0.00 0.00 0.00 53.44 49.89 3knl n ALA 55 Cb 0.00 -3.47 0.33 0.00 0.00 0.00 0.00 19.45 16.31 3knl n ALA 55 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3knl h LEU 56 N 9.08 0.00 -4.84 0.00 6.46 -1.88 -3.33 115.31 120.81 3knl h LEU 56 Ca 0.67 0.00 -0.31 0.00 -0.12 0.00 0.00 57.88 58.12 3knl h LEU 56 Cb 0.50 0.00 -0.40 0.00 -0.73 0.00 0.00 40.66 40.03 3knl h LEU 56 CO 1.85 0.03 -1.03 0.61 -0.62 0.00 0.00 178.44 179.28 3knl n GLY 57 N 0.74 2.98 0.00 3.75 0.00 -1.26 -4.71 105.19 106.69 3knl n GLY 57 Ca 0.03 -1.46 0.01 0.00 0.00 0.00 0.00 46.02 44.60 3knl n GLY 57 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3knl n HIS 58 N -0.58 0.00 -4.96 1.61 8.25 -1.22 -4.19 115.22 114.13 3knl n HIS 58 Ca 0.17 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.34 3knl n HIS 58 Cb 0.86 -0.04 -0.16 0.00 1.12 0.00 0.00 29.99 31.76 3knl n HIS 58 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3knl s PHE 59 N -1.88 2.00 0.00 4.41 0.40 -1.22 -0.43 117.98 121.26 3knl s PHE 59 Ca -0.00 -0.68 0.00 0.00 -0.60 0.00 0.00 56.93 55.64 3knl s PHE 59 Cb 0.02 -1.36 0.00 0.00 0.51 0.00 0.00 43.02 42.19 3knl s PHE 59 CO 0.11 -0.26 0.00 -0.25 0.70 0.00 0.00 175.22 175.52 3knl n ASP 60 N 3.35 -0.11 -3.15 1.36 8.00 0.83 -3.64 116.55 123.18 3knl n ASP 60 Ca -0.19 -0.46 0.05 0.00 0.71 0.00 0.00 54.79 54.89 3knl n ASP 60 Cb 0.53 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.62 3knl n ASP 60 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3knl s ALA 61 N -3.78 -2.81 -0.22 2.24 0.00 0.12 -3.92 121.76 113.38 3knl s ALA 61 Ca 0.00 1.50 -0.13 0.00 0.00 0.00 0.00 51.96 53.33 3knl s ALA 61 Cb 0.00 -2.42 -0.04 0.00 0.00 0.00 0.00 23.12 20.65 3knl s ALA 61 CO 0.00 -1.58 0.27 -0.47 0.00 0.00 0.00 175.76 173.99 3knl s TYR 62 N 2.89 3.34 -0.03 0.00 5.04 0.28 -0.22 117.35 128.65 3knl s TYR 62 Ca 0.14 0.40 0.00 0.00 -2.44 0.00 0.00 57.07 55.17 3knl s TYR 62 Cb -0.11 -2.39 0.03 0.00 0.35 0.00 0.00 41.96 39.83 3knl s TYR 62 CO -0.20 0.02 0.00 0.42 -1.34 0.00 0.00 175.55 174.45 3knl s ILE 63 N 1.21 0.16 0.49 3.14 1.01 0.19 -1.15 121.20 126.25 3knl s ILE 63 Ca 0.13 0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.88 3knl s ILE 63 Cb -0.14 -0.27 0.01 0.00 0.01 0.00 0.00 42.46 42.07 3knl s ILE 63 CO 0.06 0.15 0.71 0.42 0.00 0.00 0.00 174.94 176.28 3knl s THR 64 N 1.08 3.63 -0.28 2.92 -4.23 -0.91 -0.29 115.64 117.56 3knl s THR 64 Ca -0.09 -0.51 -0.18 0.00 -1.18 0.00 0.00 61.69 59.73 3knl s THR 64 Cb -0.13 -3.35 0.12 0.00 1.34 0.00 0.00 72.50 70.47 3knl s THR 64 CO -0.02 -0.26 0.90 0.54 -0.54 0.00 0.00 174.62 175.24 3knl s VAL 65 N -2.64 0.00 -0.27 2.29 0.11 -1.26 -2.49 120.40 116.14 3knl s VAL 65 Ca 0.51 0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 59.53 3knl s VAL 65 Cb -0.10 -1.00 0.15 0.00 -1.53 0.00 0.00 36.38 33.90 3knl s VAL 65 CO 0.38 0.00 0.51 -0.13 -3.33 0.00 0.00 175.10 172.53 3knl s ARG 66 N 1.16 0.46 0.00 1.54 0.52 0.31 -5.00 118.95 117.95 3knl s ARG 66 Ca -0.07 0.90 0.00 0.00 -0.52 0.00 0.00 55.73 56.05 3knl s ARG 66 Cb -0.04 0.21 0.00 0.00 0.52 0.00 0.00 34.95 35.64 3knl s ARG 66 CO -0.14 -0.53 0.00 0.41 0.02 0.00 0.00 175.30 175.06 3knl n GLY 67 N 5.41 1.97 1.81 -3.53 0.00 -1.26 -2.91 105.19 106.67 3knl n GLY 67 Ca -0.04 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.38 3knl n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3knl n GLY 68 N 1.90 -1.80 3.56 -0.02 0.00 -1.21 -3.25 105.19 104.37 3knl n GLY 68 Ca 0.00 -1.86 -0.33 0.00 0.00 0.00 0.00 46.02 43.84 3knl n GLY 68 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3knl s GLY 69 N -0.11 1.69 0.52 -0.02 0.00 -1.26 -4.95 107.32 103.19 3knl s GLY 69 Ca 0.00 -0.99 0.36 0.00 0.00 0.00 0.00 44.72 44.09 3knl s GLY 69 CO 0.00 -0.83 1.30 0.28 0.00 0.00 0.00 173.10 173.85 3knl n LYS 70 N 1.84 0.01 -0.02 2.90 5.02 -1.26 0.96 118.16 127.60 3knl n LYS 70 Ca -0.16 0.95 -0.16 0.00 -2.02 0.00 0.00 58.31 56.91 3knl n LYS 70 Cb 0.53 -2.25 -0.13 0.00 -0.02 0.00 0.00 35.03 33.15 3knl n LYS 70 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3knl h SER 71 N 0.00 0.20 0.16 4.39 0.87 -1.94 -0.66 113.55 116.57 3knl h SER 71 Ca 0.68 -0.93 -0.02 0.00 -1.23 0.00 0.00 61.79 60.29 3knl h SER 71 Cb 3.08 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 64.97 3knl h SER 71 CO -0.01 1.11 -0.08 1.23 -0.53 0.00 0.00 176.83 178.55 3knl h GLY 72 N -0.68 0.00 1.15 5.77 0.00 0.30 0.92 103.07 110.53 3knl h GLY 72 Ca -0.05 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.06 3knl h GLY 72 CO 0.06 0.00 -0.76 1.46 0.00 0.00 0.00 176.54 177.30 3knl h GLN 73 N 0.00 0.78 0.00 4.80 4.20 -0.89 0.17 115.11 124.17 3knl h GLN 73 Ca -0.00 -0.64 0.00 0.00 0.06 0.00 0.00 58.65 58.07 3knl h GLN 73 Cb 0.18 0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.09 3knl h GLN 73 CO 0.01 1.24 0.00 0.82 -0.67 0.00 0.00 178.83 180.24 3knl h ILE 74 N 0.51 0.00 0.09 2.54 2.04 0.75 0.91 117.51 124.35 3knl h ILE 74 Ca -0.05 -0.13 -0.35 0.00 1.00 0.00 0.00 64.86 65.33 3knl h ILE 74 Cb 1.39 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 38.22 3knl h ILE 74 CO 0.16 0.00 -1.98 0.47 0.00 0.00 0.00 178.15 176.80 3knl n ASP 75 N -2.35 2.07 0.38 1.72 8.00 -0.48 -2.59 116.55 123.31 3knl n ASP 75 Ca 0.00 0.20 -0.16 0.00 0.71 0.00 0.00 54.79 55.54 3knl n ASP 75 Cb 0.13 -0.82 -0.08 0.00 -0.02 0.00 0.00 41.12 40.33 3knl n ASP 75 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3knl h ALA 76 N -0.04 -1.24 -1.10 2.24 0.00 0.96 -0.60 119.26 119.47 3knl h ALA 76 Ca -0.44 -0.22 0.32 0.00 0.00 0.00 0.00 54.91 54.57 3knl h ALA 76 Cb 1.92 0.46 -0.04 0.00 0.00 0.00 0.00 17.79 20.12 3knl h ALA 76 CO 0.02 -1.19 0.79 0.82 0.00 0.00 0.00 179.25 179.69 3knl h ILE 77 N -1.01 0.45 -0.31 0.00 2.04 0.60 0.43 117.51 119.71 3knl h ILE 77 Ca -0.10 -0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.70 3knl h ILE 77 Cb 0.79 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 3knl h ILE 77 CO 0.13 0.00 -0.06 0.50 0.00 0.00 0.00 178.15 178.72 3knl h LYS 78 N 0.00 0.58 -0.12 2.37 3.64 -0.98 -2.89 116.57 119.17 3knl h LYS 78 Ca 0.52 -0.22 -0.02 0.00 -1.27 0.00 0.00 60.65 59.67 3knl h LYS 78 Cb 2.11 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 33.89 3knl h LYS 78 CO -0.01 0.76 -0.01 1.25 -2.27 0.00 0.00 179.45 179.18 3knl h LEU 79 N 0.36 0.21 -0.98 5.20 7.12 0.13 -3.12 115.31 124.22 3knl h LEU 79 Ca 0.08 -0.33 0.26 0.00 0.13 0.00 0.00 57.88 58.01 3knl h LEU 79 Cb 0.54 -0.06 -0.13 0.00 -0.53 0.00 0.00 40.66 40.48 3knl h LEU 79 CO 0.03 0.50 0.55 1.23 -0.13 0.00 0.00 178.44 180.61 3knl h GLY 80 N -0.08 1.87 1.01 3.75 0.00 -1.06 0.16 103.07 108.72 3knl h GLY 80 Ca 0.03 -0.26 -0.04 0.00 0.00 0.00 0.00 47.33 47.05 3knl h GLY 80 CO 0.01 -0.31 -0.43 -2.22 0.00 0.00 0.00 176.54 173.59 3knl h ILE 81 N 0.48 0.12 -0.03 2.60 1.08 -1.45 0.43 117.51 120.74 3knl h ILE 81 Ca 0.65 -0.01 0.03 0.00 -0.39 0.00 0.00 64.86 65.14 3knl h ILE 81 Cb 1.30 0.12 -0.06 0.00 -3.07 0.00 0.00 36.82 35.12 3knl h ILE 81 CO -0.52 0.00 -0.45 0.00 -0.69 0.00 0.00 178.15 176.49 3knl h ALA 82 N -1.08 -0.71 -0.40 1.87 0.00 -1.24 0.55 119.26 118.25 3knl h ALA 82 Ca -0.12 -0.04 0.12 0.00 0.00 0.00 0.00 54.91 54.86 3knl h ALA 82 Cb 0.92 0.80 -0.02 0.00 0.00 0.00 0.00 17.79 19.49 3knl h ALA 82 CO 0.20 -0.98 0.35 -0.09 0.00 0.00 0.00 179.25 178.73 3knl h ARG 83 N -0.58 0.00 0.00 0.00 2.43 -0.63 -1.55 114.38 114.06 3knl h ARG 83 Ca 0.05 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 3knl h ARG 83 Cb 0.66 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.21 3knl h ARG 83 CO -0.35 0.00 0.00 0.00 -1.51 0.00 0.00 179.97 178.11 3knl n ALA 84 N -2.47 -0.00 0.02 2.80 0.00 0.15 -3.34 120.51 117.66 3knl n ALA 84 Ca 0.07 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.51 3knl n ALA 84 Cb 0.53 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.02 3knl n ALA 84 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 3knl n LEU 85 N -0.90 0.04 0.04 0.00 -0.00 -0.44 0.30 117.00 116.04 3knl n LEU 85 Ca 0.00 0.34 -0.06 0.00 -0.00 0.00 0.00 56.01 56.29 3knl n LEU 85 Cb 0.00 -0.34 -0.11 0.00 -0.00 0.00 0.00 43.42 42.97 3knl n LEU 85 CO 0.00 -0.35 -0.04 1.62 -0.00 0.00 0.00 177.39 178.62 3knl h VAL 86 N 0.00 1.31 0.81 1.47 3.04 -1.42 -3.26 116.25 118.20 3knl h VAL 86 Ca 0.00 -3.01 -0.04 0.00 -1.01 0.00 0.00 66.70 62.64 3knl h VAL 86 Cb 0.39 2.64 0.01 0.00 -2.01 0.00 0.00 31.29 32.31 3knl h VAL 86 CO 0.00 0.75 -0.39 -0.61 -1.01 0.00 0.00 177.57 176.31 3knl h GLN 87 N 0.00 -1.05 -1.73 4.17 4.15 0.45 -2.44 115.11 118.67 3knl h GLN 87 Ca -0.10 0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.40 3knl h GLN 87 Cb 1.79 0.24 0.00 0.00 0.21 0.00 0.00 27.48 29.71 3knl h GLN 87 CO 0.10 -0.70 0.00 0.66 -1.93 0.00 0.00 178.83 176.97 3knl n TYR 88 N -5.11 0.00 -3.16 3.99 4.02 -1.13 -4.53 117.16 111.24 3knl n TYR 88 Ca -0.13 -0.28 0.04 0.00 -0.01 0.00 0.00 57.90 57.52 3knl n TYR 88 Cb 0.43 -0.23 -0.04 0.00 -0.02 0.00 0.00 39.34 39.48 3knl n TYR 88 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 3knl s ASN 89 N 1.34 -0.03 -0.07 7.72 0.01 -0.92 -5.02 114.94 117.96 3knl s ASN 89 Ca 0.00 0.05 -0.16 0.00 -0.71 0.00 0.00 52.86 52.03 3knl s ASN 89 Cb 0.00 1.04 -0.30 0.00 0.41 0.00 0.00 41.25 42.40 3knl s ASN 89 CO 0.00 -0.01 0.70 1.55 -1.51 0.00 0.00 177.10 177.84 3knl h PRO 90 N 7.08 0.32 -0.36 -0.60 0.13 -1.80 -3.25 132.00 133.52 3knl h PRO 90 Ca -0.13 -0.54 0.09 0.00 -0.87 0.00 0.00 66.00 64.55 3knl h PRO 90 Cb 1.13 0.20 -0.02 0.00 0.13 0.00 0.00 31.00 32.45 3knl h PRO 90 CO 0.05 1.26 0.26 -0.44 -0.23 0.00 0.00 178.00 178.89 3knl h ASP 91 N -0.20 0.06 0.00 1.44 3.32 -1.96 -3.02 116.42 116.07 3knl h ASP 91 Ca -0.27 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.19 3knl h ASP 91 Cb 1.84 -0.01 0.02 0.00 0.22 0.00 0.00 39.33 41.40 3knl h ASP 91 CO 0.13 0.04 2.66 -1.22 -1.72 0.00 0.00 179.24 179.13 3knl n TYR 92 N -4.45 2.10 0.04 4.55 4.02 -1.23 -3.31 117.16 118.89 3knl n TYR 92 Ca 0.05 -2.17 0.00 0.00 -0.01 0.00 0.00 57.90 55.77 3knl n TYR 92 Cb 0.39 -1.92 0.00 0.00 -0.02 0.00 0.00 39.34 37.79 3knl n TYR 92 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 3knl n ARG 93 N 5.84 0.00 -1.24 -0.72 3.00 -1.14 -4.73 116.66 117.67 3knl n ARG 93 Ca 0.51 0.00 -0.36 0.00 -0.00 0.00 0.00 57.85 58.00 3knl n ARG 93 Cb 0.32 -0.08 -0.02 0.00 0.00 0.00 0.00 32.46 32.67 3knl n ARG 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3knl n ALA 94 N -2.84 5.79 0.00 5.13 0.00 -1.21 -0.94 120.51 126.44 3knl n ALA 94 Ca 0.00 -3.19 0.00 0.00 0.00 0.00 0.00 53.44 50.25 3knl n ALA 94 Cb 0.06 -3.36 0.00 0.00 0.00 0.00 0.00 19.45 16.15 3knl n ALA 94 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3knl n LYS 95 N 4.81 0.00 -0.09 0.00 -0.00 -1.26 -4.95 118.16 116.67 3knl n LYS 95 Ca 0.60 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.81 3knl n LYS 95 Cb 0.27 0.00 -0.03 0.00 -0.00 0.00 0.00 35.03 35.26 3knl n LYS 95 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 3knl n LEU 96 N 0.00 1.88 0.11 -5.58 7.94 -0.12 -4.32 117.00 116.92 3knl n LEU 96 Ca 0.00 0.32 -0.05 0.00 -1.11 0.00 0.00 56.01 55.16 3knl n LEU 96 Cb 0.00 -0.72 -0.03 0.00 0.53 0.00 0.00 43.42 43.21 3knl n LEU 96 CO 0.00 -0.23 0.18 0.50 -1.11 0.00 0.00 177.39 176.73 3knl h LYS 97 N -0.94 -0.34 -0.05 1.96 3.64 -1.91 1.59 116.57 120.52 3knl h LYS 97 Ca -0.05 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3knl h LYS 97 Cb 0.99 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 3knl h LYS 97 CO -0.03 -0.22 0.00 -2.30 -2.27 0.00 0.00 179.45 174.62 3knl n PRO 98 N -4.26 0.12 0.00 1.90 -0.02 -1.26 0.25 135.00 131.72 3knl n PRO 98 Ca -0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.44 3knl n PRO 98 Cb 0.14 -1.03 0.00 0.00 -0.02 0.00 0.00 33.50 32.59 3knl n PRO 98 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3knl n LEU 99 N -0.08 0.00 -2.79 2.45 -0.00 -1.15 -4.91 117.00 110.51 3knl n LEU 99 Ca 0.00 -0.08 -0.05 0.00 -0.00 0.00 0.00 56.01 55.87 3knl n LEU 99 Cb 0.01 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.44 3knl n LEU 99 CO 0.00 0.00 -0.12 0.61 -0.00 0.00 0.00 177.39 177.88 3knl n GLY 100 N 0.55 -2.27 0.17 -3.96 0.00 0.69 -4.96 105.19 95.41 3knl n GLY 100 Ca 0.00 1.00 0.00 0.00 0.00 0.00 0.00 46.02 47.02 3knl n GLY 100 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3knl n PHE 101 N 0.02 0.00 -2.72 1.61 3.01 0.42 -4.88 117.46 114.92 3knl n PHE 101 Ca 0.08 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.33 3knl n PHE 101 Cb 0.31 0.03 -0.00 0.00 -0.01 0.00 0.00 39.48 39.81 3knl n PHE 101 CO 0.00 0.00 0.00 -0.11 1.01 0.00 0.00 176.76 177.66 3knl n LEU 102 N 0.00 3.23 -4.08 4.37 -0.00 -1.26 -4.66 117.00 114.61 3knl n LEU 102 Ca 0.00 -4.86 -0.19 0.00 -0.00 0.00 0.00 56.01 50.96 3knl n LEU 102 Cb 0.55 -0.07 -0.14 0.00 -0.00 0.00 0.00 43.42 43.76 3knl n LEU 102 CO 0.00 2.08 -0.45 -0.89 -0.00 0.00 0.00 177.39 178.14 3knl s THR 103 N -4.24 0.88 0.28 1.96 2.01 -1.26 -5.04 115.64 110.22 3knl s THR 103 Ca 0.41 -0.67 0.06 0.00 0.31 0.00 0.00 61.69 61.80 3knl s THR 103 Cb 0.39 -0.77 0.01 0.00 0.01 0.00 0.00 72.50 72.14 3knl s THR 103 CO -0.10 0.11 1.66 0.03 -0.69 0.00 0.00 174.62 175.62 3knl h ARG 104 N 5.47 0.25 -4.37 4.92 2.47 -1.96 -3.48 114.38 117.67 3knl h ARG 104 Ca -0.34 -0.13 -0.03 0.00 -1.26 0.00 0.00 59.98 58.22 3knl h ARG 104 Cb 1.18 0.01 0.03 0.00 -1.65 0.00 0.00 29.97 29.53 3knl h ARG 104 CO 0.47 0.67 -0.11 -3.47 0.56 0.00 0.00 179.97 178.09 3knl n ASP 105 N -3.98 -5.19 0.14 7.04 4.64 -1.26 -4.64 116.55 113.30 3knl n ASP 105 Ca -0.02 -0.12 0.03 0.00 -1.38 0.00 0.00 54.79 53.30 3knl n ASP 105 Cb 0.52 -3.42 0.18 0.00 -1.04 0.00 0.00 41.12 37.36 3knl n ASP 105 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3knl n ALA 106 N -1.68 0.36 -1.60 -1.67 0.00 -1.26 -4.62 120.51 110.03 3knl n ALA 106 Ca -0.01 0.06 -0.55 0.00 0.00 0.00 0.00 53.44 52.94 3knl n ALA 106 Cb 0.52 -0.44 -0.07 0.00 0.00 0.00 0.00 19.45 19.45 3knl n ALA 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3knl n ARG 107 N -1.83 1.16 -4.00 0.00 1.74 -1.26 -4.91 116.66 107.55 3knl n ARG 107 Ca -0.00 0.40 -0.10 0.00 -0.77 0.00 0.00 57.85 57.38 3knl n ARG 107 Cb 0.48 -2.23 -0.08 0.00 -1.02 0.00 0.00 32.46 29.62 3knl n ARG 107 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3knl s VAL 108 N 4.88 0.08 -0.04 1.55 -7.23 -1.26 -4.71 120.40 113.66 3knl s VAL 108 Ca 1.03 -1.51 -0.30 0.00 -1.81 0.00 0.00 61.98 59.39 3knl s VAL 108 Cb -1.00 -1.88 -0.06 0.00 0.56 0.00 0.00 36.38 34.01 3knl s VAL 108 CO 0.60 -0.35 1.60 -0.69 -0.31 0.00 0.00 175.10 175.95 3knl s VAL 109 N -3.98 3.58 0.50 1.32 1.01 -1.26 -4.99 120.40 116.57 3knl s VAL 109 Ca 0.19 0.77 -0.02 0.00 0.00 0.00 0.00 61.98 62.92 3knl s VAL 109 Cb 0.04 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.93 3knl s VAL 109 CO 0.00 -0.05 0.75 -1.83 0.00 0.00 0.00 175.10 173.96 3knl s GLU 110 N 3.69 3.00 0.07 2.72 -1.05 -1.26 -5.02 118.70 120.84 3knl s GLU 110 Ca 0.71 -0.35 -0.32 0.00 -0.15 0.00 0.00 54.97 54.86 3knl s GLU 110 Cb -0.33 -2.47 -0.11 0.00 -0.44 0.00 0.00 34.13 30.78 3knl s GLU 110 CO 0.29 -0.42 1.81 -2.13 0.95 0.00 0.00 175.26 175.75 3knl n ARG 111 N -2.24 2.53 -2.17 -4.83 0.63 -1.26 -4.93 116.66 104.39 3knl n ARG 111 Ca 0.03 0.92 -0.42 0.00 -0.92 0.00 0.00 57.85 57.45 3knl n ARG 111 Cb 0.58 -2.79 -0.03 0.00 0.45 0.00 0.00 32.46 30.68 3knl n ARG 111 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 3knl s LYS 112 N 2.83 3.36 0.31 -0.14 2.20 -1.26 -4.56 119.74 122.48 3knl s LYS 112 Ca 0.84 1.10 -0.27 0.00 -0.36 0.00 0.00 55.97 57.28 3knl s LYS 112 Cb -0.57 -4.14 -0.10 0.00 -1.51 0.00 0.00 37.83 31.51 3knl s LYS 112 CO 0.41 -1.83 0.96 0.15 -0.36 0.00 0.00 175.35 174.68 3knl s LYS 113 N 5.49 4.60 0.77 4.03 3.01 -1.26 -4.74 119.74 131.64 3knl s LYS 113 Ca 0.70 1.39 -0.14 0.00 -1.01 0.00 0.00 55.97 56.90 3knl s LYS 113 Cb -0.17 -2.88 0.06 0.00 -1.01 0.00 0.00 37.83 33.83 3knl s LYS 113 CO 0.32 0.29 1.23 1.52 0.51 0.00 0.00 175.35 179.21 3knl s TYR 114 N -1.52 1.86 0.00 3.18 -0.00 -1.26 -1.94 117.35 117.67 3knl s TYR 114 Ca 0.49 1.63 0.00 0.00 -0.00 0.00 0.00 57.07 59.19 3knl s TYR 114 Cb -0.21 -3.54 0.00 0.00 -0.00 0.00 0.00 41.96 38.22 3knl s TYR 114 CO 0.26 -2.88 0.00 0.41 -0.00 0.00 0.00 175.55 173.34 3knl n GLY 115 N 0.58 2.32 3.95 5.49 0.00 -1.26 -4.94 105.19 111.32 3knl n GLY 115 Ca 0.14 -0.05 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 3knl n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3knl s LYS 116 N 0.00 3.44 0.16 1.61 -0.14 -0.82 -4.12 119.74 119.87 3knl s LYS 116 Ca 0.00 -0.61 0.15 0.00 -1.36 0.00 0.00 55.97 54.15 3knl s LYS 116 Cb 0.00 -2.96 -0.06 0.00 -1.68 0.00 0.00 37.83 33.13 3knl s LYS 116 CO 0.00 0.51 1.13 0.45 -0.76 0.00 0.00 175.35 176.68 3knl h HIS 117 N 2.04 0.00 -0.01 3.18 3.86 0.49 -3.40 115.15 121.30 3knl h HIS 117 Ca -0.49 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 58.57 3knl h HIS 117 Cb 1.20 0.00 -0.23 0.00 1.06 0.00 0.00 27.41 29.44 3knl h HIS 117 CO 0.52 0.60 -0.57 1.63 0.86 0.00 0.00 177.93 180.98 3knl n LYS 118 N -3.08 0.13 -2.52 2.45 5.02 -1.22 -4.99 118.16 113.95 3knl n LYS 118 Ca -0.04 -1.43 -0.02 0.00 -2.02 0.00 0.00 58.31 54.80 3knl n LYS 118 Cb 0.81 0.26 -0.02 0.00 -0.02 0.00 0.00 35.03 36.06 3knl n LYS 118 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3knl n ALA 119 N 0.06 -3.54 0.00 7.82 0.00 -1.26 -4.41 120.51 119.18 3knl n ALA 119 Ca -0.15 1.25 0.00 0.00 0.00 0.00 0.00 53.44 54.54 3knl n ALA 119 Cb 0.86 -2.45 0.00 0.00 0.00 0.00 0.00 19.45 17.86 3knl n ALA 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3knl n ARG 120 N 1.03 0.00 -2.22 0.00 1.74 -1.26 -4.85 116.66 111.09 3knl n ARG 120 Ca -0.18 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.56 3knl n ARG 120 Cb 0.27 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.67 3knl n ARG 120 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3knl s ARG 121 N 0.00 2.88 0.89 5.56 3.00 -1.26 -4.93 118.95 125.08 3knl s ARG 121 Ca 0.00 -0.25 -0.12 0.00 -1.00 0.00 0.00 55.73 54.36 3knl s ARG 121 Cb 0.00 -4.86 0.12 0.00 0.00 0.00 0.00 34.95 30.22 3knl s ARG 121 CO 0.00 -2.81 1.11 0.00 0.00 0.00 0.00 175.30 173.59 3knl s ALA 122 N 8.18 1.73 0.99 6.12 0.00 -1.26 0.10 121.76 137.62 3knl s ALA 122 Ca 0.60 -0.29 -0.15 0.00 0.00 0.00 0.00 51.96 52.12 3knl s ALA 122 Cb -0.07 -3.11 0.19 0.00 0.00 0.00 0.00 23.12 20.13 3knl s ALA 122 CO 0.04 -2.22 1.17 -1.25 0.00 0.00 0.00 175.76 173.50 3knl s PRO 123 N -5.11 0.50 -0.09 0.00 0.04 -1.26 -4.66 135.00 124.42 3knl s PRO 123 Ca 0.63 0.06 -0.28 0.00 0.04 0.00 0.00 61.00 61.44 3knl s PRO 123 Cb -0.16 -1.79 -0.02 0.00 0.04 0.00 0.00 34.50 32.58 3knl s PRO 123 CO 0.55 -2.59 0.95 -1.14 0.04 0.00 0.00 177.00 174.81 3knl s GLN 124 N -5.44 4.43 0.48 4.56 0.74 -1.26 -5.04 119.66 118.12 3knl s GLN 124 Ca 0.68 1.29 -0.17 0.00 0.05 0.00 0.00 55.36 57.21 3knl s GLN 124 Cb -0.11 -3.52 -0.09 0.00 1.10 0.00 0.00 33.01 30.39 3knl s GLN 124 CO 0.54 -0.24 0.95 -0.47 -0.55 0.00 0.00 175.29 175.52 3knl s TYR 125 N 1.75 3.41 0.25 1.67 6.04 -1.26 -5.04 117.35 124.18 3knl s TYR 125 Ca 0.46 1.47 0.00 0.00 0.04 0.00 0.00 57.07 59.04 3knl s TYR 125 Cb -0.18 -2.77 0.00 0.00 -1.04 0.00 0.00 41.96 37.96 3knl s TYR 125 CO 0.19 -0.26 0.00 0.43 -1.54 0.00 0.00 175.55 174.37 3knl n SER 126 N -1.26 -0.85 0.00 4.32 7.64 -1.26 -5.04 113.62 117.17 3knl n SER 126 Ca 0.06 0.44 0.00 0.00 1.01 0.00 0.00 58.87 60.38 3knl n SER 126 Cb 0.54 0.95 0.00 0.00 -1.01 0.00 0.00 64.21 64.69 3knl n SER 126 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3knl n LYS 127 N -3.22 0.00 0.00 1.43 5.02 -1.26 -5.38 118.16 114.75 3knl n LYS 127 Ca 0.00 0.00 0.15 0.00 -2.02 0.00 0.00 58.31 56.44 3knl n LYS 127 Cb 0.00 0.00 0.72 0.00 -0.02 0.00 0.00 35.03 35.73 3knl n LYS 127 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77