#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k6y n SER 2 N 0.00 0.00 0.00 1.61 2.88 -1.26 -4.91 113.62 111.94 2k6y n SER 2 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2k6y n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2k6y n SER 2 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 2k6y n PHE 3 N 0.00 0.00 -2.28 0.66 3.72 -1.26 -4.92 117.46 113.38 2k6y n PHE 3 Ca 0.00 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.06 2k6y n PHE 3 Cb 0.00 -0.22 -0.04 0.00 -0.94 0.00 0.00 39.48 38.29 2k6y n PHE 3 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2k6y s THR 4 N -3.23 3.73 -0.46 4.37 -4.23 -1.26 -4.90 115.64 109.66 2k6y s THR 4 Ca 0.00 -0.95 -0.19 0.00 -1.18 0.00 0.00 61.69 59.37 2k6y s THR 4 Cb 0.00 -4.66 0.04 0.00 1.34 0.00 0.00 72.50 69.22 2k6y s THR 4 CO 0.00 -1.42 0.58 -0.70 -0.54 0.00 0.00 174.62 172.54 2k6y s GLU 5 N 5.80 3.17 0.21 3.99 2.12 -1.13 -4.75 118.70 128.11 2k6y s GLU 5 Ca 0.61 -0.66 -0.13 0.00 0.36 0.00 0.00 54.97 55.15 2k6y s GLU 5 Cb -0.01 -4.01 0.00 0.00 0.26 0.00 0.00 34.13 30.37 2k6y s GLU 5 CO 0.03 -1.04 0.44 0.20 -0.54 0.00 0.00 175.26 174.34 2k6y s GLY 6 N 2.19 0.37 -0.12 -1.50 0.00 -1.26 0.04 107.32 107.04 2k6y s GLY 6 Ca 0.17 -0.73 -0.16 0.00 0.00 0.00 0.00 44.72 44.00 2k6y s GLY 6 CO 0.15 -0.60 0.43 0.66 0.00 0.00 0.00 173.10 173.74 2k6y s TRP 7 N -3.97 -0.43 -0.23 1.90 -2.14 -0.01 -4.08 118.94 109.99 2k6y s TRP 7 Ca 0.18 0.96 -0.03 0.00 2.66 0.00 0.00 56.10 59.88 2k6y s TRP 7 Cb 0.00 0.17 0.01 0.00 -3.10 0.00 0.00 33.47 30.55 2k6y s TRP 7 CO 0.04 -0.30 -0.07 0.08 -2.66 0.00 0.00 176.95 174.04 2k6y s VAL 8 N -0.25 3.04 -0.78 -0.66 1.01 -0.34 -1.94 120.40 120.47 2k6y s VAL 8 Ca -0.04 -0.75 -0.23 0.00 0.00 0.00 0.00 61.98 60.97 2k6y s VAL 8 Cb -0.03 -2.43 0.07 0.00 0.00 0.00 0.00 36.38 33.99 2k6y s VAL 8 CO 0.02 0.35 1.13 -0.60 0.00 0.00 0.00 175.10 176.00 2k6y s ARG 9 N 1.40 3.30 0.76 2.72 3.00 -0.26 -0.84 118.95 129.02 2k6y s ARG 9 Ca 0.04 -0.96 -0.15 0.00 -1.00 0.00 0.00 55.73 53.65 2k6y s ARG 9 Cb -0.15 -4.53 -0.00 0.00 0.00 0.00 0.00 34.95 30.27 2k6y s ARG 9 CO -0.05 -1.93 0.71 0.34 0.00 0.00 0.00 175.30 174.37 2k6y n PHE 10 N 7.94 -0.24 -3.67 5.12 -0.00 0.61 -3.62 117.46 123.61 2k6y n PHE 10 Ca 0.09 0.36 -0.15 0.00 -0.00 0.00 0.00 57.45 57.74 2k6y n PHE 10 Cb 0.48 -1.97 -0.08 0.00 -0.00 0.00 0.00 39.48 37.91 2k6y n PHE 10 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 2k6y s SER 11 N -1.65 -0.40 -0.94 -2.13 0.15 -1.26 -4.52 113.70 102.94 2k6y s SER 11 Ca 0.67 0.40 -0.08 0.00 0.70 0.00 0.00 55.95 57.65 2k6y s SER 11 Cb -0.33 0.46 -0.13 0.00 -1.71 0.00 0.00 66.02 64.31 2k6y s SER 11 CO 0.56 -0.48 2.88 -0.81 1.20 0.00 0.00 173.24 176.58 2k6y n PRO 12 N 1.28 2.72 0.00 5.44 -0.04 -1.26 -4.71 135.00 138.43 2k6y n PRO 12 Ca -0.20 -1.61 0.00 0.00 -0.04 0.00 0.00 63.50 61.65 2k6y n PRO 12 Cb 0.56 -2.44 0.00 0.00 -0.04 0.00 0.00 33.50 31.58 2k6y n PRO 12 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k6y n GLY 13 N 3.28 -0.61 0.04 0.55 0.00 -1.26 -4.93 105.19 102.26 2k6y n GLY 13 Ca 0.58 -1.08 0.11 0.00 0.00 0.00 0.00 46.02 45.63 2k6y n GLY 13 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2k6y n PRO 14 N -0.53 0.08 -4.04 1.61 -0.04 -1.26 -4.83 135.00 125.98 2k6y n PRO 14 Ca 0.00 0.23 -0.10 0.00 -0.04 0.00 0.00 63.50 63.59 2k6y n PRO 14 Cb 0.00 -1.63 -0.07 0.00 -0.04 0.00 0.00 33.50 31.76 2k6y n PRO 14 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2k6y s ASN 15 N -3.50 0.03 0.28 3.54 2.20 -1.26 -3.82 114.94 112.41 2k6y s ASN 15 Ca 0.08 -1.03 -0.07 0.00 -0.94 0.00 0.00 52.86 50.89 2k6y s ASN 15 Cb 0.12 0.47 0.03 0.00 -2.00 0.00 0.00 41.25 39.87 2k6y s ASN 15 CO 0.40 -0.96 0.51 0.00 -2.94 0.00 0.00 177.10 174.11 2k6y n ALA 16 N -0.28 -0.93 -2.75 3.54 0.00 -0.21 -4.72 120.51 115.16 2k6y n ALA 16 Ca -0.03 -1.05 -0.10 0.00 0.00 0.00 0.00 53.44 52.26 2k6y n ALA 16 Cb 0.63 0.84 -0.08 0.00 0.00 0.00 0.00 19.45 20.84 2k6y n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k6y s ALA 17 N -2.05 -0.31 0.01 0.00 0.00 -1.24 -0.91 121.76 117.25 2k6y s ALA 17 Ca 0.16 -0.40 -0.00 0.00 0.00 0.00 0.00 51.96 51.71 2k6y s ALA 17 Cb -0.03 0.35 -0.01 0.00 0.00 0.00 0.00 23.12 23.44 2k6y s ALA 17 CO 0.11 -0.42 -0.01 0.00 0.00 0.00 0.00 175.76 175.45 2k6y s ALA 18 N -3.04 0.03 0.00 0.00 0.00 -0.93 -1.10 121.76 116.72 2k6y s ALA 18 Ca -0.01 -0.18 0.01 0.00 0.00 0.00 0.00 51.96 51.78 2k6y s ALA 18 Cb 0.01 0.04 -0.01 0.00 0.00 0.00 0.00 23.12 23.17 2k6y s ALA 18 CO -0.06 -0.05 -0.05 0.71 0.00 0.00 0.00 175.76 176.31 2k6y s TYR 19 N -0.47 0.42 -0.16 0.00 2.02 -0.82 -1.65 117.35 116.69 2k6y s TYR 19 Ca -0.05 -0.13 -0.29 0.00 -0.37 0.00 0.00 57.07 56.22 2k6y s TYR 19 Cb -0.03 -0.27 0.10 0.00 -0.40 0.00 0.00 41.96 41.37 2k6y s TYR 19 CO -0.00 -0.02 0.88 -0.48 -1.57 0.00 0.00 175.55 174.36 2k6y s LEU 20 N -0.31 -0.51 -0.20 -1.29 0.05 -0.90 -0.83 118.68 114.70 2k6y s LEU 20 Ca -0.00 0.68 -0.10 0.00 0.05 0.00 0.00 54.13 54.75 2k6y s LEU 20 Cb -0.03 2.12 -0.05 0.00 -2.05 0.00 0.00 46.19 46.19 2k6y s LEU 20 CO -0.00 -0.38 0.15 -0.89 -0.55 0.00 0.00 176.35 174.68 2k6y s THR 21 N -0.76 5.40 0.20 5.48 2.01 0.11 -0.05 115.64 128.02 2k6y s THR 21 Ca -0.03 0.23 0.04 0.00 0.31 0.00 0.00 61.69 62.24 2k6y s THR 21 Cb -0.02 -3.49 -0.05 0.00 0.01 0.00 0.00 72.50 68.95 2k6y s THR 21 CO 0.03 0.43 -0.06 -0.22 -0.69 0.00 0.00 174.62 174.11 2k6y s LEU 22 N 0.41 2.37 0.01 4.42 2.96 -0.05 -2.83 118.68 125.96 2k6y s LEU 22 Ca 0.09 -1.12 0.06 0.00 -0.22 0.00 0.00 54.13 52.94 2k6y s LEU 22 Cb -0.11 -0.35 -0.02 0.00 0.50 0.00 0.00 46.19 46.21 2k6y s LEU 22 CO -0.01 -0.41 -0.19 -1.83 -1.32 0.00 0.00 176.35 172.59 2k6y s GLU 23 N -3.79 1.47 -0.40 1.98 -1.05 -1.26 -0.46 118.70 115.19 2k6y s GLU 23 Ca 0.23 -0.77 -0.14 0.00 -0.15 0.00 0.00 54.97 54.14 2k6y s GLU 23 Cb 0.04 -1.48 0.01 0.00 -0.44 0.00 0.00 34.13 32.27 2k6y s GLU 23 CO 0.06 0.39 0.28 1.21 0.95 0.00 0.00 175.26 178.15 2k6y s ASN 24 N -0.71 6.08 0.15 0.83 3.84 -0.62 -4.96 114.94 119.54 2k6y s ASN 24 Ca 0.07 -0.83 0.24 0.00 0.21 0.00 0.00 52.86 52.56 2k6y s ASN 24 Cb -0.08 -2.15 0.40 0.00 -0.55 0.00 0.00 41.25 38.87 2k6y s ASN 24 CO 0.00 -0.41 1.39 1.55 -2.79 0.00 0.00 177.10 176.84 2k6y h PRO 25 N 8.59 0.00 0.00 0.43 0.13 -1.90 -1.42 132.00 137.84 2k6y h PRO 25 Ca -0.28 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.57 2k6y h PRO 25 Cb 1.13 0.00 0.10 0.00 0.13 0.00 0.00 31.00 32.36 2k6y h PRO 25 CO 0.71 0.00 0.23 0.41 -0.23 0.00 0.00 178.00 179.12 2k6y n GLY 26 N 1.31 -0.92 1.13 1.56 0.00 -1.26 -4.58 105.19 102.44 2k6y n GLY 26 Ca 0.03 -1.76 0.09 0.00 0.00 0.00 0.00 46.02 44.38 2k6y n GLY 26 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2k6y n ASP 27 N -3.42 3.89 -4.60 1.61 8.00 -1.26 -2.44 116.55 118.33 2k6y n ASP 27 Ca 0.11 -2.29 -0.25 0.00 0.71 0.00 0.00 54.79 53.06 2k6y n ASP 27 Cb 0.37 -0.44 -0.08 0.00 -0.02 0.00 0.00 41.12 40.95 2k6y n ASP 27 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2k6y s LEU 28 N -1.54 3.06 0.59 0.64 1.43 -1.26 -4.86 118.68 116.75 2k6y s LEU 28 Ca 0.40 -0.60 -0.13 0.00 -1.03 0.00 0.00 54.13 52.78 2k6y s LEU 28 Cb 0.25 -1.69 -0.05 0.00 0.03 0.00 0.00 46.19 44.73 2k6y s LEU 28 CO 0.21 0.07 1.02 -2.16 0.23 0.00 0.00 176.35 175.72 2k6y s PRO 29 N -3.13 3.67 -0.05 1.29 0.04 -1.26 -3.54 135.00 132.02 2k6y s PRO 29 Ca 0.27 0.82 0.02 0.00 0.04 0.00 0.00 61.00 62.16 2k6y s PRO 29 Cb -0.08 -2.09 0.02 0.00 0.04 0.00 0.00 34.50 32.38 2k6y s PRO 29 CO 0.17 -0.51 -0.09 -0.51 0.04 0.00 0.00 177.00 176.10 2k6y s LEU 30 N -4.87 1.54 -0.23 -3.56 1.02 -0.22 -4.95 118.68 107.41 2k6y s LEU 30 Ca 0.56 -0.22 -0.00 0.00 0.02 0.00 0.00 54.13 54.49 2k6y s LEU 30 Cb -0.11 -0.65 0.03 0.00 0.02 0.00 0.00 46.19 45.48 2k6y s LEU 30 CO 0.47 0.00 -0.11 -0.60 0.02 0.00 0.00 176.35 176.14 2k6y s ARG 31 N 0.70 2.78 -0.31 1.70 3.52 -1.26 0.11 118.95 126.19 2k6y s ARG 31 Ca -0.12 -1.00 -0.17 0.00 -0.13 0.00 0.00 55.73 54.31 2k6y s ARG 31 Cb -0.15 -2.86 -0.02 0.00 -1.56 0.00 0.00 34.95 30.37 2k6y s ARG 31 CO 0.02 -0.38 0.45 -1.17 -0.81 0.00 0.00 175.30 173.41 2k6y s LEU 32 N 1.28 4.23 -0.00 -0.88 2.96 0.23 -1.65 118.68 124.85 2k6y s LEU 32 Ca -0.00 0.11 0.09 0.00 -0.22 0.00 0.00 54.13 54.10 2k6y s LEU 32 Cb -0.16 -2.51 -0.10 0.00 0.50 0.00 0.00 46.19 43.92 2k6y s LEU 32 CO -0.07 -0.35 0.36 1.33 -1.32 0.00 0.00 176.35 176.30 2k6y n VAL 33 N 5.27 0.00 -3.14 1.68 0.24 0.60 -0.42 118.33 122.56 2k6y n VAL 33 Ca -0.06 -0.29 0.00 0.00 -2.04 0.00 0.00 64.34 61.95 2k6y n VAL 33 Cb 0.50 0.94 0.00 0.00 -1.47 0.00 0.00 33.84 33.80 2k6y n VAL 33 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2k6y n GLY 34 N 1.27 -0.78 3.56 7.63 0.00 -1.18 -4.73 105.19 110.96 2k6y n GLY 34 Ca 0.01 -0.73 -0.12 0.00 0.00 0.00 0.00 46.02 45.19 2k6y n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k6y s ALA 35 N -1.00 0.22 -0.08 4.61 0.00 -1.26 -0.90 121.76 123.36 2k6y s ALA 35 Ca 0.00 -1.19 -0.05 0.00 0.00 0.00 0.00 51.96 50.72 2k6y s ALA 35 Cb 0.00 1.07 0.03 0.00 0.00 0.00 0.00 23.12 24.23 2k6y s ALA 35 CO 0.00 -0.83 0.18 0.50 0.00 0.00 0.00 175.76 175.61 2k6y s ARG 36 N -3.37 0.16 -0.01 0.00 3.52 0.23 -4.88 118.95 114.60 2k6y s ARG 36 Ca 0.26 0.38 -0.14 0.00 -0.13 0.00 0.00 55.73 56.10 2k6y s ARG 36 Cb -0.01 -0.07 0.02 0.00 -1.56 0.00 0.00 34.95 33.33 2k6y s ARG 36 CO 0.15 -0.12 0.29 -0.08 -0.81 0.00 0.00 175.30 174.72 2k6y s THR 37 N 0.84 0.06 0.15 4.11 -1.32 -1.26 -0.60 115.64 117.63 2k6y s THR 37 Ca -0.06 -0.49 -0.07 0.00 -1.21 0.00 0.00 61.69 59.85 2k6y s THR 37 Cb -0.08 -0.59 -0.10 0.00 -1.51 0.00 0.00 72.50 70.23 2k6y s THR 37 CO -0.05 -0.27 1.42 1.55 -2.21 0.00 0.00 174.62 175.06 2k6y h PRO 38 N 3.96 0.68 -0.06 7.08 0.13 -1.98 -3.33 132.00 138.48 2k6y h PRO 38 Ca -0.30 -0.48 0.00 0.00 -0.87 0.00 0.00 66.00 64.36 2k6y h PRO 38 Cb 1.18 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2k6y h PRO 38 CO 0.40 1.10 0.00 1.33 -0.23 0.00 0.00 178.00 180.60 2k6y n VAL 39 N -3.95 0.07 -4.32 1.56 0.24 -1.26 -3.88 118.33 106.79 2k6y n VAL 39 Ca -0.05 -0.16 -0.19 0.00 -2.04 0.00 0.00 64.34 61.91 2k6y n VAL 39 Cb 0.66 0.02 -0.15 0.00 -1.47 0.00 0.00 33.84 32.90 2k6y n VAL 39 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2k6y s ALA 40 N -1.93 0.74 0.00 2.33 0.00 -1.25 -4.14 121.76 117.51 2k6y s ALA 40 Ca 0.33 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 51.99 2k6y s ALA 40 Cb 0.17 -0.26 0.00 0.00 0.00 0.00 0.00 23.12 23.03 2k6y s ALA 40 CO 0.27 0.13 0.19 -1.91 0.00 0.00 0.00 175.76 174.44 2k6y n GLU 41 N 3.19 0.00 -3.05 0.00 0.00 -0.22 -4.25 120.64 116.31 2k6y n GLU 41 Ca -0.17 0.46 -0.37 0.00 0.00 0.00 0.00 57.16 57.08 2k6y n GLU 41 Cb 0.55 -1.05 -0.06 0.00 0.00 0.00 0.00 31.44 30.88 2k6y n GLU 41 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 2k6y s ARG 42 N -1.28 4.35 -0.12 5.31 3.52 -0.79 -4.92 118.95 125.02 2k6y s ARG 42 Ca 0.00 0.97 -0.07 0.00 -0.13 0.00 0.00 55.73 56.51 2k6y s ARG 42 Cb 0.00 -2.97 0.05 0.00 -1.56 0.00 0.00 34.95 30.46 2k6y s ARG 42 CO 0.00 0.43 0.28 0.54 -0.81 0.00 0.00 175.30 175.75 2k6y s VAL 43 N -1.43 -0.03 -0.06 7.11 0.11 -1.26 -1.04 120.40 123.80 2k6y s VAL 43 Ca 0.41 0.11 -0.02 0.00 -2.93 0.00 0.00 61.98 59.55 2k6y s VAL 43 Cb -0.18 -0.43 0.04 0.00 -1.53 0.00 0.00 36.38 34.28 2k6y s VAL 43 CO 0.22 0.05 0.13 -1.61 -3.33 0.00 0.00 175.10 170.56 2k6y s GLU 44 N 1.09 0.06 -0.18 1.54 2.02 -0.64 -4.85 118.70 117.73 2k6y s GLU 44 Ca -0.08 0.37 -0.29 0.00 0.02 0.00 0.00 54.97 54.99 2k6y s GLU 44 Cb -0.08 -0.21 -0.00 0.00 0.10 0.00 0.00 34.13 33.94 2k6y s GLU 44 CO -0.08 -0.19 1.08 -1.17 0.02 0.00 0.00 175.26 174.93 2k6y s LEU 45 N 1.31 4.15 0.24 1.80 0.20 -1.26 -0.82 118.68 124.30 2k6y s LEU 45 Ca -0.07 1.49 0.09 0.00 0.69 0.00 0.00 54.13 56.33 2k6y s LEU 45 Cb -0.12 -3.54 -0.04 0.00 -0.43 0.00 0.00 46.19 42.06 2k6y s LEU 45 CO -0.05 -0.64 -0.00 -1.00 -0.29 0.00 0.00 176.35 174.37 2k6y s HIS 46 N 2.95 2.74 0.55 5.38 3.76 0.46 -1.11 115.29 130.01 2k6y s HIS 46 Ca 0.48 -0.20 0.04 0.00 -0.15 0.00 0.00 55.06 55.22 2k6y s HIS 46 Cb -0.17 -1.25 0.03 0.00 1.11 0.00 0.00 32.58 32.30 2k6y s HIS 46 CO 0.11 0.58 0.29 -1.83 -0.85 0.00 0.00 174.74 173.04 2k6y s GLU 47 N -3.45 2.24 -0.23 1.40 -1.05 -0.02 -1.14 118.70 116.44 2k6y s GLU 47 Ca 0.30 -2.17 -0.03 0.00 -0.15 0.00 0.00 54.97 52.92 2k6y s GLU 47 Cb -0.07 -1.92 0.08 0.00 -0.44 0.00 0.00 34.13 31.77 2k6y s GLU 47 CO 0.19 -0.58 0.07 0.99 0.95 0.00 0.00 175.26 176.88 2k6y s THR 48 N -2.83 0.47 0.12 1.83 2.01 0.72 -3.26 115.64 114.69 2k6y s THR 48 Ca 0.24 -0.75 0.05 0.00 0.31 0.00 0.00 61.69 61.53 2k6y s THR 48 Cb -0.02 -1.13 -0.04 0.00 0.01 0.00 0.00 72.50 71.32 2k6y s THR 48 CO 0.15 -0.40 0.07 0.72 -0.69 0.00 0.00 174.62 174.47 2k6y s PHE 49 N 1.86 3.09 0.25 4.92 -0.71 -0.21 -4.46 117.98 122.72 2k6y s PHE 49 Ca 0.03 -0.00 -0.20 0.00 -1.04 0.00 0.00 56.93 55.72 2k6y s PHE 49 Cb -0.17 -1.54 -0.09 0.00 -1.21 0.00 0.00 43.02 40.02 2k6y s PHE 49 CO -0.16 0.51 0.76 0.00 -1.34 0.00 0.00 175.22 174.99 2k6y s MET 50 N -2.65 4.27 0.10 1.99 0.23 -1.26 -0.87 119.30 121.10 2k6y s MET 50 Ca 0.29 0.91 -0.10 0.00 -1.03 0.00 0.00 55.69 55.76 2k6y s MET 50 Cb -0.11 -2.79 0.00 0.00 -1.53 0.00 0.00 34.83 30.40 2k6y s MET 50 CO 0.21 0.34 0.23 -0.98 -2.03 0.00 0.00 175.02 172.79 2k6y s ARG 51 N -2.14 0.89 0.31 3.16 1.70 0.08 -4.95 118.95 118.00 2k6y s ARG 51 Ca 0.46 -0.92 -0.18 0.00 -0.47 0.00 0.00 55.73 54.62 2k6y s ARG 51 Cb -0.16 0.37 -0.09 0.00 -0.57 0.00 0.00 34.95 34.50 2k6y s ARG 51 CO 0.21 -0.30 0.78 -2.00 -1.08 0.00 0.00 175.30 172.91 2k6y s GLU 52 N -3.85 4.14 0.00 3.89 2.12 -1.26 -0.22 118.70 123.52 2k6y s GLU 52 Ca 0.05 0.83 0.00 0.00 0.36 0.00 0.00 54.97 56.21 2k6y s GLU 52 Cb 0.04 -2.54 0.00 0.00 0.26 0.00 0.00 34.13 31.89 2k6y s GLU 52 CO -0.11 0.20 0.00 0.28 -0.54 0.00 0.00 175.26 175.09 2k6y n VAL 53 N -0.05 0.00 -0.62 3.70 0.31 -1.20 -4.89 118.33 115.59 2k6y n VAL 53 Ca 0.02 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.31 2k6y n VAL 53 Cb 0.52 -0.04 -0.06 0.00 -0.91 0.00 0.00 33.84 33.35 2k6y n VAL 53 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2k6y n GLU 54 N -0.24 1.23 0.00 5.55 2.13 -1.26 -4.74 120.64 123.32 2k6y n GLU 54 Ca 0.00 -0.35 0.00 0.00 0.66 0.00 0.00 57.16 57.47 2k6y n GLU 54 Cb 0.00 -1.41 0.00 0.00 0.27 0.00 0.00 31.44 30.30 2k6y n GLU 54 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2k6y n GLY 55 N 1.95 1.12 3.73 8.31 0.00 -1.26 -4.93 105.19 114.11 2k6y n GLY 55 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 2k6y n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k6y s LYS 56 N 0.00 4.36 -0.65 1.61 1.02 -1.26 -4.84 119.74 119.97 2k6y s LYS 56 Ca 0.00 2.04 -0.25 0.00 0.02 0.00 0.00 55.97 57.78 2k6y s LYS 56 Cb 0.00 -3.23 0.04 0.00 -0.52 0.00 0.00 37.83 34.13 2k6y s LYS 56 CO 0.00 -0.33 1.11 0.15 -0.92 0.00 0.00 175.35 175.36 2k6y s LYS 57 N 0.49 3.25 0.18 1.68 -0.14 -1.26 -3.23 119.74 120.71 2k6y s LYS 57 Ca 0.60 -0.32 0.10 0.00 -1.36 0.00 0.00 55.97 54.98 2k6y s LYS 57 Cb -0.36 -4.14 -0.04 0.00 -1.68 0.00 0.00 37.83 31.61 2k6y s LYS 57 CO 0.34 -1.85 -0.20 0.54 -0.76 0.00 0.00 175.35 173.42 2k6y s VAL 58 N 4.80 2.03 0.55 3.17 0.11 0.70 -4.87 120.40 126.89 2k6y s VAL 58 Ca 0.32 -1.99 -0.17 0.00 -2.93 0.00 0.00 61.98 57.21 2k6y s VAL 58 Cb -0.11 -1.97 -0.06 0.00 -1.53 0.00 0.00 36.38 32.72 2k6y s VAL 58 CO 0.16 -0.26 1.04 -0.04 -3.33 0.00 0.00 175.10 172.67 2k6y s MET 59 N -2.81 3.55 0.10 1.54 -1.94 -1.26 -0.74 119.30 117.73 2k6y s MET 59 Ca 0.18 1.22 -0.08 0.00 -1.71 0.00 0.00 55.69 55.30 2k6y s MET 59 Cb -0.06 -2.06 -0.00 0.00 2.01 0.00 0.00 34.83 34.71 2k6y s MET 59 CO 0.08 -0.62 0.19 0.20 -0.01 0.00 0.00 175.02 174.86 2k6y s GLY 60 N -2.58 0.17 0.09 -0.03 0.00 -0.05 -4.89 107.32 100.03 2k6y s GLY 60 Ca 0.64 -0.69 0.09 0.00 0.00 0.00 0.00 44.72 44.76 2k6y s GLY 60 CO 0.31 -0.84 -0.23 1.06 0.00 0.00 0.00 173.10 173.40 2k6y s MET 61 N -3.88 1.33 -0.13 2.90 -1.94 -1.26 -1.05 119.30 115.27 2k6y s MET 61 Ca 0.07 -1.16 -0.32 0.00 -1.71 0.00 0.00 55.69 52.57 2k6y s MET 61 Cb 0.05 -1.62 0.13 0.00 2.01 0.00 0.00 34.83 35.40 2k6y s MET 61 CO -0.09 0.39 1.07 -0.98 -0.01 0.00 0.00 175.02 175.40 2k6y s ARG 62 N -1.72 0.51 0.71 2.03 1.70 -1.20 -5.00 118.95 115.98 2k6y s ARG 62 Ca 0.09 -0.13 -0.13 0.00 -0.47 0.00 0.00 55.73 55.09 2k6y s ARG 62 Cb -0.10 0.24 0.03 0.00 -0.57 0.00 0.00 34.95 34.55 2k6y s ARG 62 CO 0.04 -0.21 1.10 -1.25 -1.08 0.00 0.00 175.30 173.90 2k6y s PRO 63 N -2.37 2.54 0.16 3.89 0.05 -1.26 -0.84 135.00 137.16 2k6y s PRO 63 Ca 0.06 1.29 0.06 0.00 0.05 0.00 0.00 61.00 62.46 2k6y s PRO 63 Cb -0.01 -1.92 -0.04 0.00 0.05 0.00 0.00 34.50 32.57 2k6y s PRO 63 CO -0.05 -1.44 -0.13 0.14 0.05 0.00 0.00 177.00 175.57 2k6y s VAL 64 N -2.60 1.43 -0.85 -0.36 -7.23 -0.27 -4.81 120.40 105.71 2k6y s VAL 64 Ca 0.64 -1.99 0.21 0.00 -1.81 0.00 0.00 61.98 59.04 2k6y s VAL 64 Cb -0.19 -1.80 0.20 0.00 0.56 0.00 0.00 36.38 35.15 2k6y s VAL 64 CO 0.48 -0.57 1.66 -0.81 -0.31 0.00 0.00 175.10 175.55 2k6y n PRO 65 N 0.01 0.08 -3.62 4.82 -0.04 -1.26 -4.68 135.00 130.31 2k6y n PRO 65 Ca -0.11 0.23 -0.01 0.00 -0.04 0.00 0.00 63.50 63.57 2k6y n PRO 65 Cb 0.59 -1.62 -0.02 0.00 -0.04 0.00 0.00 33.50 32.41 2k6y n PRO 65 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2k6y s PHE 66 N -3.09 -0.02 0.45 0.54 -0.12 -1.26 -4.81 117.98 109.68 2k6y s PHE 66 Ca 0.08 0.01 0.06 0.00 -0.05 0.00 0.00 56.93 57.04 2k6y s PHE 66 Cb 0.12 0.50 -0.02 0.00 -0.63 0.00 0.00 43.02 42.99 2k6y s PHE 66 CO 0.39 -0.04 0.23 -0.51 -0.05 0.00 0.00 175.22 175.24 2k6y s LEU 67 N -2.25 2.96 0.27 -1.99 1.43 0.44 -5.01 118.68 114.53 2k6y s LEU 67 Ca 0.12 -1.15 -0.18 0.00 -1.03 0.00 0.00 54.13 51.89 2k6y s LEU 67 Cb 0.01 -1.36 0.01 0.00 0.03 0.00 0.00 46.19 44.88 2k6y s LEU 67 CO -0.03 -0.72 0.63 -1.83 0.23 0.00 0.00 176.35 174.63 2k6y s GLU 68 N -4.01 1.71 -0.08 1.70 -1.05 -1.26 -0.60 118.70 115.12 2k6y s GLU 68 Ca 0.36 -1.09 -0.05 0.00 -0.15 0.00 0.00 54.97 54.04 2k6y s GLU 68 Cb 0.02 0.56 0.03 0.00 -0.44 0.00 0.00 34.13 34.30 2k6y s GLU 68 CO 0.21 -0.76 0.19 0.08 0.95 0.00 0.00 175.26 175.92 2k6y s VAL 69 N -3.93 -0.02 0.93 1.83 1.01 0.12 -4.95 120.40 115.39 2k6y s VAL 69 Ca 0.15 0.08 -0.12 0.00 0.00 0.00 0.00 61.98 62.09 2k6y s VAL 69 Cb -0.04 -0.28 0.15 0.00 0.00 0.00 0.00 36.38 36.20 2k6y s VAL 69 CO 0.08 0.03 1.11 -2.16 0.00 0.00 0.00 175.10 174.16 2k6y s PRO 70 N 0.63 0.99 0.60 2.72 0.04 -1.26 -1.06 135.00 137.65 2k6y s PRO 70 Ca -0.04 0.51 -0.20 0.00 0.04 0.00 0.00 61.00 61.31 2k6y s PRO 70 Cb -0.06 -1.80 -0.03 0.00 0.04 0.00 0.00 34.50 32.65 2k6y s PRO 70 CO -0.03 -2.35 1.30 -1.25 0.04 0.00 0.00 177.00 174.70 2k6y s PRO 71 N -5.08 2.87 0.00 0.56 0.04 -1.23 -3.43 135.00 128.73 2k6y s PRO 71 Ca 0.64 2.08 0.00 0.00 0.04 0.00 0.00 61.00 63.76 2k6y s PRO 71 Cb -0.17 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.35 2k6y s PRO 71 CO 0.56 -1.35 0.00 1.63 0.04 0.00 0.00 177.00 177.88 2k6y n LYS 72 N -1.49 0.00 -3.12 4.56 4.76 -0.55 -4.96 118.16 117.36 2k6y n LYS 72 Ca 0.13 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.16 2k6y n LYS 72 Cb 0.47 -3.42 -0.07 0.00 -1.84 0.00 0.00 35.03 30.18 2k6y n LYS 72 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2k6y s GLY 73 N -2.00 1.79 -0.09 0.72 0.00 -1.14 -4.84 107.32 101.76 2k6y s GLY 73 Ca 0.00 -0.61 -0.24 0.00 0.00 0.00 0.00 44.72 43.87 2k6y s GLY 73 CO 0.00 1.45 0.75 1.09 0.00 0.00 0.00 173.10 176.39 2k6y s ARG 74 N 2.58 4.40 0.18 2.90 1.04 -1.26 -1.59 118.95 127.19 2k6y s ARG 74 Ca 0.25 0.94 0.01 0.00 -1.04 0.00 0.00 55.73 55.90 2k6y s ARG 74 Cb -0.15 -3.49 -0.05 0.00 -2.04 0.00 0.00 34.95 29.23 2k6y s ARG 74 CO 0.11 -0.06 0.03 0.14 -0.04 0.00 0.00 175.30 175.48 2k6y s VAL 75 N 1.23 0.52 -0.12 4.99 -7.23 0.39 -4.98 120.40 115.20 2k6y s VAL 75 Ca 0.38 -1.97 -0.04 0.00 -1.81 0.00 0.00 61.98 58.55 2k6y s VAL 75 Cb -0.18 -2.18 0.05 0.00 0.56 0.00 0.00 36.38 34.63 2k6y s VAL 75 CO 0.17 -0.40 0.08 -1.83 -0.31 0.00 0.00 175.10 172.82 2k6y s GLU 76 N -3.97 0.01 -0.84 4.82 -1.05 -1.26 -0.88 118.70 115.53 2k6y s GLU 76 Ca 0.26 0.11 -0.18 0.00 -0.15 0.00 0.00 54.97 55.01 2k6y s GLU 76 Cb 0.07 -1.29 -0.12 0.00 -0.44 0.00 0.00 34.13 32.34 2k6y s GLU 76 CO 0.05 -0.53 1.98 1.28 0.95 0.00 0.00 175.26 178.99 2k6y n LEU 77 N 5.29 4.43 -4.77 1.83 4.32 0.93 -4.72 117.00 124.32 2k6y n LEU 77 Ca -0.05 -2.97 -0.39 0.00 -0.02 0.00 0.00 56.01 52.58 2k6y n LEU 77 Cb 0.49 -1.14 0.00 0.00 -1.62 0.00 0.00 43.42 41.15 2k6y n LEU 77 CO 0.08 -0.07 0.95 -1.59 -1.22 0.00 0.00 177.39 175.54 2k6y s LYS 78 N 4.57 3.83 0.09 3.23 -2.85 -1.13 -2.12 119.74 125.36 2k6y s LYS 78 Ca 0.53 2.13 -0.31 0.00 -1.00 0.00 0.00 55.97 57.32 2k6y s LYS 78 Cb 0.14 -2.65 -0.13 0.00 -2.06 0.00 0.00 37.83 33.13 2k6y s LYS 78 CO 0.07 -0.59 1.49 -1.00 0.10 0.00 0.00 175.35 175.42 2k6y h PRO 79 N 2.44 -0.65 -6.42 1.78 0.13 -1.93 -1.76 132.00 125.59 2k6y h PRO 79 Ca -0.50 0.04 -0.55 0.00 -0.87 0.00 0.00 66.00 64.13 2k6y h PRO 79 Cb 1.25 0.15 -0.08 0.00 0.13 0.00 0.00 31.00 32.45 2k6y h PRO 79 CO 0.62 -0.43 1.02 0.20 -0.23 0.00 0.00 178.00 179.17 2k6y s GLY 80 N -2.07 0.99 0.00 1.56 0.00 -1.26 -4.26 107.32 102.27 2k6y s GLY 80 Ca -0.15 -1.18 0.00 0.00 0.00 0.00 0.00 44.72 43.40 2k6y s GLY 80 CO 0.54 2.58 0.00 0.61 0.00 0.00 0.00 173.10 176.83 2k6y n GLY 81 N 5.26 0.55 3.47 0.20 0.00 -1.12 -4.98 105.19 108.56 2k6y n GLY 81 Ca 0.05 0.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.97 2k6y n GLY 81 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k6y s TYR 82 N 0.00 -0.64 0.16 1.61 2.02 -0.68 -0.20 117.35 119.62 2k6y s TYR 82 Ca 0.00 1.53 -0.24 0.00 -0.37 0.00 0.00 57.07 57.99 2k6y s TYR 82 Cb 0.00 0.23 0.07 0.00 -0.40 0.00 0.00 41.96 41.86 2k6y s TYR 82 CO 0.00 -0.31 0.99 -3.38 -1.57 0.00 0.00 175.55 171.28 2k6y s HIS 83 N 0.40 -0.07 -0.08 2.71 -3.43 -0.29 -2.84 115.29 111.69 2k6y s HIS 83 Ca -0.01 -0.27 -0.03 0.00 -0.80 0.00 0.00 55.06 53.95 2k6y s HIS 83 Cb -0.04 0.66 -0.04 0.00 -1.43 0.00 0.00 32.58 31.73 2k6y s HIS 83 CO -0.01 -0.86 0.08 -0.06 -2.00 0.00 0.00 174.74 171.89 2k6y s PHE 84 N -2.96 3.36 0.06 0.38 0.08 -0.66 -0.41 117.98 117.83 2k6y s PHE 84 Ca 0.15 0.32 -0.20 0.00 0.12 0.00 0.00 56.93 57.32 2k6y s PHE 84 Cb -0.02 -1.83 -0.07 0.00 -0.57 0.00 0.00 43.02 40.54 2k6y s PHE 84 CO 0.03 0.59 0.57 -1.64 -0.10 0.00 0.00 175.22 174.67 2k6y s MET 85 N -1.17 4.22 -0.09 0.44 -1.94 0.00 -2.19 119.30 118.57 2k6y s MET 85 Ca 0.17 0.74 0.04 0.00 -1.71 0.00 0.00 55.69 54.92 2k6y s MET 85 Cb -0.12 -3.25 0.00 0.00 2.01 0.00 0.00 34.83 33.47 2k6y s MET 85 CO 0.06 0.60 -0.21 -0.51 -0.01 0.00 0.00 175.02 174.95 2k6y s LEU 86 N -0.98 1.99 0.09 -0.03 1.43 -0.09 -1.62 118.68 119.46 2k6y s LEU 86 Ca 0.29 -0.50 0.01 0.00 -1.03 0.00 0.00 54.13 52.91 2k6y s LEU 86 Cb -0.19 -1.27 -0.04 0.00 0.03 0.00 0.00 46.19 44.71 2k6y s LEU 86 CO 0.19 0.14 -0.06 -0.76 0.23 0.00 0.00 176.35 176.09 2k6y s LEU 87 N 0.38 2.49 0.00 1.79 1.43 -0.21 -1.04 118.68 123.53 2k6y s LEU 87 Ca -0.17 -0.98 0.00 0.00 -1.03 0.00 0.00 54.13 51.95 2k6y s LEU 87 Cb -0.17 -0.02 0.00 0.00 0.03 0.00 0.00 46.19 46.02 2k6y s LEU 87 CO 0.08 -0.48 0.00 0.61 0.23 0.00 0.00 176.35 176.79 2k6y n GLY 88 N 0.07 1.24 1.70 -3.19 0.00 -1.25 -1.05 105.19 102.71 2k6y n GLY 88 Ca -0.13 -0.02 -0.00 0.00 0.00 0.00 0.00 46.02 45.87 2k6y n GLY 88 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k6y n LEU 89 N 0.00 -2.96 0.00 0.99 4.77 -1.26 -4.82 117.00 113.72 2k6y n LEU 89 Ca 0.00 0.27 0.07 0.00 -0.03 0.00 0.00 56.01 56.32 2k6y n LEU 89 Cb 0.00 -1.40 0.39 0.00 -2.33 0.00 0.00 43.42 40.08 2k6y n LEU 89 CO 0.00 -0.57 0.65 2.29 -1.33 0.00 0.00 177.39 178.43 2k6y n LYS 90 N 0.15 0.73 -3.89 3.23 2.85 -1.26 -4.55 118.16 115.42 2k6y n LYS 90 Ca -0.01 0.00 -0.10 0.00 -1.05 0.00 0.00 58.31 57.14 2k6y n LYS 90 Cb 0.02 -1.28 -0.09 0.00 -0.65 0.00 0.00 35.03 33.03 2k6y n LYS 90 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 2k6y s ARG 91 N -2.00 0.57 0.59 -1.58 0.52 -1.25 -4.99 118.95 110.80 2k6y s ARG 91 Ca 0.20 -0.59 -0.19 0.00 -0.52 0.00 0.00 55.73 54.63 2k6y s ARG 91 Cb 0.09 0.23 -0.04 0.00 0.52 0.00 0.00 34.95 35.75 2k6y s ARG 91 CO 0.15 -0.14 1.17 -1.25 0.02 0.00 0.00 175.30 175.25 2k6y s PRO 92 N -2.10 3.06 -0.16 3.54 0.04 -1.26 -4.85 135.00 133.27 2k6y s PRO 92 Ca -0.09 1.70 -0.08 0.00 0.04 0.00 0.00 61.00 62.58 2k6y s PRO 92 Cb -0.04 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.50 2k6y s PRO 92 CO -0.02 -1.10 0.10 -0.51 0.04 0.00 0.00 177.00 175.51 2k6y s LEU 93 N -4.09 4.12 -0.29 -3.56 2.01 -1.26 -5.02 118.68 110.59 2k6y s LEU 93 Ca 0.75 0.27 -0.02 0.00 0.01 0.00 0.00 54.13 55.13 2k6y s LEU 93 Cb -0.27 -2.03 0.09 0.00 0.01 0.00 0.00 46.19 44.00 2k6y s LEU 93 CO 0.32 0.27 0.10 -0.75 1.01 0.00 0.00 176.35 177.30 2k6y s LYS 94 N -0.21 0.57 0.11 1.70 2.36 -1.26 -4.93 119.74 118.08 2k6y s LYS 94 Ca 0.10 -0.84 -0.36 0.00 -2.55 0.00 0.00 55.97 52.32 2k6y s LYS 94 Cb -0.12 -1.79 -0.16 0.00 -1.05 0.00 0.00 37.83 34.71 2k6y s LYS 94 CO 0.01 -0.94 1.36 0.00 1.55 0.00 0.00 175.35 177.32 2k6y n ALA 95 N 4.98 -0.49 -0.97 3.13 0.00 -1.26 -3.27 120.51 122.63 2k6y n ALA 95 Ca -0.04 0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.89 2k6y n ALA 95 Cb 0.43 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.76 2k6y n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k6y n GLY 96 N 2.59 0.50 0.00 0.00 0.00 -1.26 -5.13 105.19 101.89 2k6y n GLY 96 Ca 0.17 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2k6y n GLY 96 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2k6y n GLU 97 N -0.51 0.36 -4.21 1.61 0.28 -1.20 -5.07 120.64 111.90 2k6y n GLU 97 Ca 0.00 0.00 -0.17 0.00 -0.16 0.00 0.00 57.16 56.83 2k6y n GLU 97 Cb 0.25 0.00 -0.11 0.00 1.43 0.00 0.00 31.44 33.01 2k6y n GLU 97 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 177.13 175.14 2k6y s GLU 98 N -1.18 0.92 -0.31 3.44 -1.05 -1.26 -0.90 118.70 118.36 2k6y s GLU 98 Ca 0.00 -1.14 -0.09 0.00 -0.15 0.00 0.00 54.97 53.59 2k6y s GLU 98 Cb 0.00 -0.80 -0.01 0.00 -0.44 0.00 0.00 34.13 32.88 2k6y s GLU 98 CO 0.00 0.16 0.14 0.08 0.95 0.00 0.00 175.26 176.59 2k6y s VAL 99 N -1.95 4.53 0.04 1.83 1.01 0.11 -4.85 120.40 121.12 2k6y s VAL 99 Ca 0.05 -0.45 -0.30 0.00 0.00 0.00 0.00 61.98 61.28 2k6y s VAL 99 Cb -0.06 -3.31 -0.08 0.00 0.00 0.00 0.00 36.38 32.93 2k6y s VAL 99 CO 0.02 0.07 1.74 -0.70 0.00 0.00 0.00 175.10 176.24 2k6y s GLU 100 N 1.60 4.17 -0.15 2.72 2.12 -1.26 -1.21 118.70 126.69 2k6y s GLU 100 Ca 0.04 2.40 -0.01 0.00 0.36 0.00 0.00 54.97 57.76 2k6y s GLU 100 Cb -0.17 -3.79 0.04 0.00 0.26 0.00 0.00 34.13 30.46 2k6y s GLU 100 CO 0.06 -0.82 -0.05 -0.51 -0.54 0.00 0.00 175.26 173.40 2k6y s LEU 101 N 3.32 1.43 -0.80 2.70 1.43 -0.02 -3.97 118.68 122.78 2k6y s LEU 101 Ca 0.78 -0.55 -0.23 0.00 -1.03 0.00 0.00 54.13 53.10 2k6y s LEU 101 Cb -0.40 -0.86 0.06 0.00 0.03 0.00 0.00 46.19 45.03 2k6y s LEU 101 CO 0.34 -0.17 1.18 -1.81 0.23 0.00 0.00 176.35 176.12 2k6y s ASP 102 N 1.68 6.30 -0.04 2.29 1.11 0.24 -0.68 116.67 127.57 2k6y s ASP 102 Ca 0.02 -1.09 -0.30 0.00 0.18 0.00 0.00 52.55 51.37 2k6y s ASP 102 Cb -0.14 -2.49 -0.03 0.00 1.07 0.00 0.00 42.92 41.33 2k6y s ASP 102 CO -0.08 -1.52 1.13 -0.76 1.18 0.00 0.00 175.17 175.13 2k6y s LEU 103 N 4.53 4.30 -0.12 1.23 1.43 -0.02 -0.60 118.68 129.43 2k6y s LEU 103 Ca 0.32 1.77 -0.10 0.00 -1.03 0.00 0.00 54.13 55.09 2k6y s LEU 103 Cb -0.09 -3.56 -0.05 0.00 0.03 0.00 0.00 46.19 42.52 2k6y s LEU 103 CO 0.05 -0.49 0.20 -0.76 0.23 0.00 0.00 176.35 175.58 2k6y s LEU 104 N 1.80 4.35 0.05 1.79 1.43 -0.07 -0.87 118.68 127.16 2k6y s LEU 104 Ca 0.54 0.52 0.04 0.00 -1.03 0.00 0.00 54.13 54.20 2k6y s LEU 104 Cb -0.24 -2.20 -0.02 0.00 0.03 0.00 0.00 46.19 43.76 2k6y s LEU 104 CO 0.23 0.31 -0.11 -0.36 0.23 0.00 0.00 176.35 176.65 2k6y s PHE 105 N -0.58 0.96 0.92 0.29 0.40 -0.85 -0.29 117.98 118.82 2k6y s PHE 105 Ca 0.15 -0.43 -0.11 0.00 -0.60 0.00 0.00 56.93 55.94 2k6y s PHE 105 Cb -0.13 -0.56 0.14 0.00 0.51 0.00 0.00 43.02 42.99 2k6y s PHE 105 CO 0.04 -0.00 1.09 0.00 0.70 0.00 0.00 175.22 177.05 2k6y s ALA 106 N -1.15 1.34 -0.50 5.36 0.00 -0.66 -2.71 121.76 123.44 2k6y s ALA 106 Ca -0.04 0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.03 2k6y s ALA 106 Cb -0.09 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.76 2k6y s ALA 106 CO 0.01 -2.57 0.00 0.41 0.00 0.00 0.00 175.76 173.61 2k6y n GLY 107 N -0.58 0.63 2.34 0.00 0.00 -1.26 -4.12 105.19 102.20 2k6y n GLY 107 Ca 0.08 -0.81 -0.05 0.00 0.00 0.00 0.00 46.02 45.24 2k6y n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k6y n GLY 108 N -2.11 -0.36 3.27 -0.02 0.00 -1.26 -5.06 105.19 99.65 2k6y n GLY 108 Ca -0.05 0.15 -0.10 0.00 0.00 0.00 0.00 46.02 46.02 2k6y n GLY 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k6y s LYS 109 N -3.44 1.10 -0.21 1.61 -0.14 -1.10 -5.08 119.74 112.48 2k6y s LYS 109 Ca 0.14 -1.32 -0.29 0.00 -1.36 0.00 0.00 55.97 53.15 2k6y s LYS 109 Cb -0.02 0.32 0.14 0.00 -1.68 0.00 0.00 37.83 36.59 2k6y s LYS 109 CO 0.37 -0.37 1.09 0.54 -0.76 0.00 0.00 175.35 176.22 2k6y s VAL 110 N -4.02 0.00 -0.09 3.17 0.11 -1.26 -2.01 120.40 116.29 2k6y s VAL 110 Ca 0.22 0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 59.26 2k6y s VAL 110 Cb 0.05 -1.00 0.03 0.00 -1.53 0.00 0.00 36.38 33.93 2k6y s VAL 110 CO 0.02 0.00 -0.00 -0.76 -3.33 0.00 0.00 175.10 171.03 2k6y s LEU 111 N -0.73 0.74 -0.15 2.54 1.43 -0.05 -4.96 118.68 117.49 2k6y s LEU 111 Ca 0.01 -0.21 -0.24 0.00 -1.03 0.00 0.00 54.13 52.67 2k6y s LEU 111 Cb -0.02 -0.51 -0.02 0.00 0.03 0.00 0.00 46.19 45.67 2k6y s LEU 111 CO -0.03 -0.20 0.75 -0.54 0.23 0.00 0.00 176.35 176.56 2k6y s LYS 112 N 1.92 4.31 -0.04 1.70 1.02 -1.26 -0.84 119.74 126.55 2k6y s LYS 112 Ca 0.04 0.88 0.03 0.00 0.02 0.00 0.00 55.97 56.94 2k6y s LYS 112 Cb -0.13 -3.55 0.00 0.00 -0.52 0.00 0.00 37.83 33.64 2k6y s LYS 112 CO -0.06 -0.21 -0.13 0.14 -0.92 0.00 0.00 175.35 174.17 2k6y s VAL 113 N 1.76 1.10 -0.07 3.17 -7.23 0.14 -5.00 120.40 114.28 2k6y s VAL 113 Ca 0.36 -0.51 -0.14 0.00 -1.81 0.00 0.00 61.98 59.88 2k6y s VAL 113 Cb -0.17 -0.97 -0.05 0.00 0.56 0.00 0.00 36.38 35.75 2k6y s VAL 113 CO 0.13 0.33 0.34 0.54 -0.31 0.00 0.00 175.10 176.14 2k6y s VAL 114 N 0.29 5.18 -0.04 1.32 0.11 -1.26 -0.84 120.40 125.16 2k6y s VAL 114 Ca -0.07 0.68 -0.03 0.00 -2.93 0.00 0.00 61.98 59.64 2k6y s VAL 114 Cb -0.12 -3.65 0.02 0.00 -1.53 0.00 0.00 36.38 31.10 2k6y s VAL 114 CO 0.02 0.52 0.10 -0.76 -3.33 0.00 0.00 175.10 171.65 2k6y s LEU 115 N -0.58 1.34 0.68 2.54 1.43 -0.35 -4.97 118.68 118.77 2k6y s LEU 115 Ca 0.21 0.20 -0.15 0.00 -1.03 0.00 0.00 54.13 53.36 2k6y s LEU 115 Cb -0.15 0.30 0.01 0.00 0.03 0.00 0.00 46.19 46.38 2k6y s LEU 115 CO 0.09 -0.07 1.16 -2.16 0.23 0.00 0.00 176.35 175.60 2k6y s PRO 116 N 0.45 2.53 -0.09 1.29 0.04 -1.26 0.10 135.00 138.05 2k6y s PRO 116 Ca -0.03 1.60 -0.30 0.00 0.04 0.00 0.00 61.00 62.31 2k6y s PRO 116 Cb -0.05 -1.90 -0.01 0.00 0.04 0.00 0.00 34.50 32.58 2k6y s PRO 116 CO -0.02 -1.50 1.01 0.08 0.04 0.00 0.00 177.00 176.61 2k6y s VAL 117 N -2.10 4.76 0.05 -0.36 1.01 -0.08 -1.20 120.40 122.48 2k6y s VAL 117 Ca 0.71 2.02 -0.14 0.00 0.00 0.00 0.00 61.98 64.57 2k6y s VAL 117 Cb -0.25 -4.30 -0.06 0.00 0.00 0.00 0.00 36.38 31.77 2k6y s VAL 117 CO 0.42 0.02 0.45 -0.70 0.00 0.00 0.00 175.10 175.29 2k6y s GLU 118 N 1.91 3.93 0.00 2.72 2.56 -0.02 -4.67 118.70 125.13 2k6y s GLU 118 Ca 0.49 0.42 0.14 0.00 0.00 0.00 0.00 54.97 56.03 2k6y s GLU 118 Cb -0.19 -3.13 0.16 0.00 2.00 0.00 0.00 34.13 32.96 2k6y s GLU 118 CO 0.19 0.63 1.01 0.00 -0.56 0.00 0.00 175.26 176.53 2k6y n ALA 119 N 1.47 2.44 0.00 6.30 0.00 -1.26 -0.28 120.51 129.17 2k6y n ALA 119 Ca -0.11 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 52.63 2k6y n ALA 119 Cb 0.52 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 19.47 2k6y n ALA 119 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37