#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 -2.02 1.61 7.64 -1.26 -2.83 113.62 116.76 2k6y n SER 2 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2k6y n SER 2 Cb 0.00 -0.89 0.00 0.00 -1.01 0.00 0.00 64.21 62.31 2k6y n SER 2 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2k6y n PHE 3 N -1.55 -4.14 -3.93 1.43 3.01 -1.26 -5.12 117.46 105.90 2k6y n PHE 3 Ca 0.00 2.48 -0.18 0.00 1.01 0.00 0.00 57.45 60.75 2k6y n PHE 3 Cb 0.00 -3.52 -0.16 0.00 -0.01 0.00 0.00 39.48 35.79 2k6y n PHE 3 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 2k6y s THR 4 N -0.48 0.23 -0.12 4.37 -4.23 -1.13 -5.15 115.64 109.14 2k6y s THR 4 Ca 0.00 0.08 0.03 0.00 -1.18 0.00 0.00 61.69 60.62 2k6y s THR 4 Cb 0.00 -0.34 0.00 0.00 1.34 0.00 0.00 72.50 73.51 2k6y s THR 4 CO 0.00 0.17 -0.22 -1.83 -0.54 0.00 0.00 174.62 172.21 2k6y s GLU 5 N 1.20 3.10 -0.06 3.99 1.03 -1.26 -4.91 118.70 121.78 2k6y s GLU 5 Ca -0.07 -0.84 -0.32 0.00 0.03 0.00 0.00 54.97 53.77 2k6y s GLU 5 Cb -0.13 -2.39 0.14 0.00 -0.80 0.00 0.00 34.13 30.94 2k6y s GLU 5 CO -0.02 0.13 1.38 0.20 -1.33 0.00 0.00 175.26 175.62 2k6y s GLY 6 N 0.48 -0.45 -0.11 -3.83 0.00 -1.26 -1.04 107.32 101.11 2k6y s GLY 6 Ca -0.14 0.82 -0.26 0.00 0.00 0.00 0.00 44.72 45.13 2k6y s GLY 6 CO 0.05 0.53 0.63 0.66 0.00 0.00 0.00 173.10 174.97 2k6y s TRP 7 N -2.17 -0.62 -0.27 1.90 -2.14 -0.20 -4.34 118.94 111.10 2k6y s TRP 7 Ca 0.16 1.25 -0.07 0.00 2.66 0.00 0.00 56.10 60.09 2k6y s TRP 7 Cb 0.06 0.32 -0.02 0.00 -3.10 0.00 0.00 33.47 30.73 2k6y s TRP 7 CO -0.05 -0.49 0.08 0.08 -2.66 0.00 0.00 176.95 173.90 2k6y s VAL 8 N -0.67 4.22 -0.36 -0.66 1.01 -0.27 -2.08 120.40 121.59 2k6y s VAL 8 Ca -0.07 -0.33 -0.21 0.00 0.00 0.00 0.00 61.98 61.36 2k6y s VAL 8 Cb -0.02 -3.04 0.01 0.00 0.00 0.00 0.00 36.38 33.33 2k6y s VAL 8 CO 0.06 0.25 0.69 -0.60 0.00 0.00 0.00 175.10 175.51 2k6y s ARG 9 N 1.58 3.71 0.90 2.72 3.52 0.17 -1.15 118.95 130.40 2k6y s ARG 9 Ca 0.05 0.16 -0.12 0.00 -0.13 0.00 0.00 55.73 55.69 2k6y s ARG 9 Cb -0.16 -3.81 0.13 0.00 -1.56 0.00 0.00 34.95 29.55 2k6y s ARG 9 CO 0.03 -0.78 1.10 0.12 -0.81 0.00 0.00 175.30 174.97 2k6y s PHE 10 N 2.85 2.43 0.06 5.12 2.19 0.31 -3.18 117.98 127.77 2k6y s PHE 10 Ca 0.27 1.09 -0.22 0.00 0.33 0.00 0.00 56.93 58.40 2k6y s PHE 10 Cb -0.14 -3.22 0.05 0.00 -1.31 0.00 0.00 43.02 38.40 2k6y s PHE 10 CO 0.15 -2.35 0.51 0.45 1.83 0.00 0.00 175.22 175.82 2k6y s SER 11 N -3.67 -0.43 0.22 6.13 0.15 -1.26 -4.74 113.70 110.10 2k6y s SER 11 Ca 0.63 0.14 0.21 0.00 0.70 0.00 0.00 55.95 57.63 2k6y s SER 11 Cb -0.17 0.49 0.92 0.00 -1.71 0.00 0.00 66.02 65.55 2k6y s SER 11 CO 0.56 -0.74 1.64 -0.81 1.20 0.00 0.00 173.24 175.09 2k6y n PRO 12 N 0.34 0.15 0.00 5.44 -0.04 -1.26 -4.34 135.00 135.28 2k6y n PRO 12 Ca -0.18 0.44 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 2k6y n PRO 12 Cb 0.61 -1.82 0.00 0.00 -0.04 0.00 0.00 33.50 32.25 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 -0.27 1.55 0.05 0.55 0.00 -1.26 -4.61 105.19 101.19 2k6y n GLY 13 Ca 0.02 -2.19 0.14 0.00 0.00 0.00 0.00 46.02 43.99 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 -0.47 0.47 -4.36 1.61 -0.04 -1.26 -5.02 135.00 125.92 2k6y n PRO 14 Ca 0.00 -0.09 -0.19 0.00 -0.04 0.00 0.00 63.50 63.18 2k6y n PRO 14 Cb 0.00 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 31.86 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 -2.59 2.52 0.24 3.54 2.20 -1.26 -0.96 114.94 118.63 2k6y s ASN 15 Ca 0.27 -1.09 -0.10 0.00 -0.94 0.00 0.00 52.86 50.99 2k6y s ASN 15 Cb 0.20 -0.13 0.04 0.00 -2.00 0.00 0.00 41.25 39.36 2k6y s ASN 15 CO 0.48 -0.26 0.53 0.00 -2.94 0.00 0.00 177.10 174.91 2k6y n ALA 16 N -0.44 -1.22 -3.33 3.54 0.00 -0.28 -4.63 120.51 114.15 2k6y n ALA 16 Ca -0.07 -0.80 -0.14 0.00 0.00 0.00 0.00 53.44 52.43 2k6y n ALA 16 Cb 0.62 0.62 -0.08 0.00 0.00 0.00 0.00 19.45 20.60 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 -1.69 -1.08 0.04 0.00 0.00 -1.19 -1.28 121.76 116.56 2k6y s ALA 17 Ca 0.11 0.84 -0.04 0.00 0.00 0.00 0.00 51.96 52.87 2k6y s ALA 17 Cb -0.03 -0.22 -0.02 0.00 0.00 0.00 0.00 23.12 22.85 2k6y s ALA 17 CO 0.07 -0.27 0.05 0.00 0.00 0.00 0.00 175.76 175.61 2k6y s ALA 18 N -0.77 0.12 -0.03 0.00 0.00 -0.60 -0.66 121.76 119.83 2k6y s ALA 18 Ca -0.08 -0.76 -0.19 0.00 0.00 0.00 0.00 51.96 50.93 2k6y s ALA 18 Cb -0.04 0.26 0.04 0.00 0.00 0.00 0.00 23.12 23.38 2k6y s ALA 18 CO 0.04 -0.33 0.41 0.71 0.00 0.00 0.00 175.76 176.59 2k6y s TYR 19 N -2.93 -0.31 -0.10 0.00 1.51 -0.88 -1.22 117.35 113.42 2k6y s TYR 19 Ca -0.02 0.51 -0.32 0.00 -1.01 0.00 0.00 57.07 56.23 2k6y s TYR 19 Cb 0.01 0.18 0.12 0.00 -0.11 0.00 0.00 41.96 42.16 2k6y s TYR 19 CO -0.06 -0.44 1.08 -0.48 -1.11 0.00 0.00 175.55 174.53 2k6y s LEU 20 N -1.26 -0.23 -0.27 -1.29 0.05 -1.26 -1.03 118.68 113.39 2k6y s LEU 20 Ca -0.13 -0.02 -0.16 0.00 0.05 0.00 0.00 54.13 53.87 2k6y s LEU 20 Cb -0.04 1.67 -0.03 0.00 -2.05 0.00 0.00 46.19 45.73 2k6y s LEU 20 CO 0.06 -0.41 0.42 -0.89 -0.55 0.00 0.00 176.35 174.98 2k6y s THR 21 N -2.73 5.14 -0.22 5.48 2.01 -0.20 -1.40 115.64 123.72 2k6y s THR 21 Ca 0.08 0.67 -0.14 0.00 0.31 0.00 0.00 61.69 62.61 2k6y s THR 21 Cb -0.01 -3.75 -0.04 0.00 0.01 0.00 0.00 72.50 68.71 2k6y s THR 21 CO -0.06 0.13 0.32 -0.22 -0.69 0.00 0.00 174.62 174.10 2k6y s LEU 22 N 2.16 4.14 -0.16 4.42 1.98 -0.20 -4.71 118.68 126.30 2k6y s LEU 22 Ca 0.17 0.38 0.02 0.00 -2.89 0.00 0.00 54.13 51.81 2k6y s LEU 22 Cb -0.16 -2.38 0.01 0.00 0.66 0.00 0.00 46.19 44.33 2k6y s LEU 22 CO 0.10 -0.04 -0.21 -1.83 -1.89 0.00 0.00 176.35 172.48 2k6y s GLU 23 N 1.27 2.98 -0.47 1.98 -1.05 -1.26 -0.61 118.70 121.53 2k6y s GLU 23 Ca 0.15 -0.83 -0.13 0.00 -0.15 0.00 0.00 54.97 54.01 2k6y s GLU 23 Cb -0.14 -2.48 0.09 0.00 -0.44 0.00 0.00 34.13 31.15 2k6y s GLU 23 CO 0.07 -0.11 0.36 1.21 0.95 0.00 0.00 175.26 177.74 2k6y s ASN 24 N 1.05 5.96 0.04 0.83 3.84 -0.14 -4.93 114.94 121.58 2k6y s ASN 24 Ca -0.01 -1.49 0.26 0.00 0.21 0.00 0.00 52.86 51.82 2k6y s ASN 24 Cb -0.14 -2.11 0.67 0.00 -0.55 0.00 0.00 41.25 39.11 2k6y s ASN 24 CO -0.07 -0.65 1.54 -0.81 -2.79 0.00 0.00 177.10 174.33 2k6y n PRO 25 N 5.10 0.08 -1.96 0.43 -0.04 -1.26 -1.84 135.00 135.50 2k6y n PRO 25 Ca -0.12 0.03 -0.30 0.00 -0.04 0.00 0.00 63.50 63.07 2k6y n PRO 25 Cb 0.43 -1.56 0.01 0.00 -0.04 0.00 0.00 33.50 32.34 2k6y n PRO 25 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2k6y s GLY 26 N -3.17 1.64 0.00 0.55 0.00 -1.26 -4.54 107.32 100.54 2k6y s GLY 26 Ca 0.11 -0.16 0.18 0.00 0.00 0.00 0.00 44.72 44.85 2k6y s GLY 26 CO 0.66 0.11 1.46 1.22 0.00 0.00 0.00 173.10 176.55 2k6y n ASP 27 N -2.72 1.84 -4.52 1.64 9.92 -1.26 -1.90 116.55 119.55 2k6y n ASP 27 Ca 0.05 -1.80 -0.24 0.00 -0.53 0.00 0.00 54.79 52.27 2k6y n ASP 27 Cb 0.54 -0.15 -0.09 0.00 -0.64 0.00 0.00 41.12 40.78 2k6y n ASP 27 CO 0.00 0.00 0.00 -1.48 0.13 0.00 0.00 177.20 175.85 2k6y s LEU 28 N -1.40 2.76 0.47 0.64 0.05 -1.26 -4.84 118.68 115.11 2k6y s LEU 28 Ca 0.31 -0.92 -0.19 0.00 0.05 0.00 0.00 54.13 53.38 2k6y s LEU 28 Cb 0.16 -1.28 -0.09 0.00 -2.05 0.00 0.00 46.19 42.93 2k6y s LEU 28 CO 0.24 0.03 0.97 -2.16 -0.55 0.00 0.00 176.35 174.88 2k6y s PRO 29 N -3.56 4.08 -0.17 1.48 0.04 -1.26 -4.05 135.00 131.56 2k6y s PRO 29 Ca 0.30 1.05 -0.00 0.00 0.04 0.00 0.00 61.00 62.39 2k6y s PRO 29 Cb -0.05 -2.16 0.00 0.00 0.04 0.00 0.00 34.50 32.33 2k6y s PRO 29 CO 0.16 -0.16 -0.15 -0.51 0.04 0.00 0.00 177.00 176.38 2k6y s LEU 30 N -3.62 2.45 -0.27 -3.56 1.02 -0.26 -4.95 118.68 109.48 2k6y s LEU 30 Ca 0.61 -0.50 0.01 0.00 0.02 0.00 0.00 54.13 54.27 2k6y s LEU 30 Cb -0.10 -1.56 0.05 0.00 0.02 0.00 0.00 46.19 44.60 2k6y s LEU 30 CO 0.22 0.06 -0.07 -0.60 0.02 0.00 0.00 176.35 175.98 2k6y s ARG 31 N 0.98 2.36 -0.47 1.70 3.52 -1.26 -0.06 118.95 125.71 2k6y s ARG 31 Ca -0.02 -1.29 -0.17 0.00 -0.13 0.00 0.00 55.73 54.12 2k6y s ARG 31 Cb -0.15 -3.00 0.06 0.00 -1.56 0.00 0.00 34.95 30.30 2k6y s ARG 31 CO -0.03 -0.57 0.47 -1.17 -0.81 0.00 0.00 175.30 173.19 2k6y s LEU 32 N 1.17 5.29 0.21 -0.88 2.96 0.38 -0.75 118.68 127.07 2k6y s LEU 32 Ca -0.07 -1.09 0.23 0.00 -0.22 0.00 0.00 54.13 52.98 2k6y s LEU 32 Cb -0.20 -2.29 0.07 0.00 0.50 0.00 0.00 46.19 44.27 2k6y s LEU 32 CO -0.04 -0.71 1.12 -0.37 -1.32 0.00 0.00 176.35 175.04 2k6y h VAL 33 N 5.78 0.00 0.00 1.68 -1.51 -1.09 -0.31 116.25 120.80 2k6y h VAL 33 Ca -0.28 -0.94 0.00 0.00 -1.23 0.00 0.00 66.70 64.26 2k6y h VAL 33 Cb 1.11 1.48 0.00 0.00 -2.13 0.00 0.00 31.29 31.75 2k6y h VAL 33 CO 0.89 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.84 2k6y n GLY 34 N 1.19 -0.72 2.53 5.19 0.00 -1.18 -4.67 105.19 107.54 2k6y n GLY 34 Ca 0.01 -0.72 -0.16 0.00 0.00 0.00 0.00 46.02 45.15 2k6y n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k6y n ALA 35 N 0.00 0.54 -3.19 4.61 0.00 -1.26 -1.16 120.51 120.05 2k6y n ALA 35 Ca 0.00 -1.54 -0.13 0.00 0.00 0.00 0.00 53.44 51.77 2k6y n ALA 35 Cb 0.00 1.20 -0.11 0.00 0.00 0.00 0.00 19.45 20.54 2k6y n ALA 35 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2k6y s ARG 36 N -3.09 0.39 0.01 0.00 3.52 0.15 -4.84 118.95 115.09 2k6y s ARG 36 Ca 0.28 0.30 -0.13 0.00 -0.13 0.00 0.00 55.73 56.05 2k6y s ARG 36 Cb 0.01 0.19 0.02 0.00 -1.56 0.00 0.00 34.95 33.61 2k6y s ARG 36 CO 0.20 -0.06 0.27 -0.08 -0.81 0.00 0.00 175.30 174.82 2k6y s THR 37 N -0.10 0.08 0.41 4.11 -1.32 -1.26 -0.58 115.64 116.97 2k6y s THR 37 Ca -0.02 -0.63 0.09 0.00 -1.21 0.00 0.00 61.69 59.91 2k6y s THR 37 Cb -0.03 -0.75 0.29 0.00 -1.51 0.00 0.00 72.50 70.51 2k6y s THR 37 CO 0.01 -0.35 2.02 -0.65 -2.21 0.00 0.00 174.62 173.45 2k6y h PRO 38 N 3.64 0.52 -0.03 7.08 0.11 -1.97 -3.28 132.00 138.07 2k6y h PRO 38 Ca -0.31 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.77 2k6y h PRO 38 Cb 1.19 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2k6y h PRO 38 CO 0.43 0.34 0.00 1.33 -0.21 0.00 0.00 178.00 179.90 2k6y n VAL 39 N -4.47 0.04 -4.05 3.15 0.24 -1.26 -4.52 118.33 107.46 2k6y n VAL 39 Ca 0.06 -0.07 -0.10 0.00 -2.04 0.00 0.00 64.34 62.19 2k6y n VAL 39 Cb 0.17 -0.16 -0.06 0.00 -1.47 0.00 0.00 33.84 32.32 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 -1.96 0.10 0.03 2.33 0.00 -1.24 -3.63 121.76 117.39 2k6y s ALA 40 Ca 0.29 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 51.18 2k6y s ALA 40 Cb 0.14 1.15 0.00 0.00 0.00 0.00 0.00 23.12 24.41 2k6y s ALA 40 CO 0.23 -0.79 0.00 -1.91 0.00 0.00 0.00 175.76 173.29 2k6y n GLU 41 N -0.36 0.00 -2.70 0.00 4.07 -0.80 -4.74 120.64 116.11 2k6y n GLU 41 Ca -0.01 0.00 -0.41 0.00 -0.06 0.00 0.00 57.16 56.68 2k6y n GLU 41 Cb 0.63 -0.35 -0.04 0.00 -0.06 0.00 0.00 31.44 31.62 2k6y n GLU 41 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 2k6y s ARG 42 N -2.00 4.65 -0.10 5.31 0.52 -0.65 -4.97 118.95 121.71 2k6y s ARG 42 Ca 0.00 1.47 -0.04 0.00 -0.52 0.00 0.00 55.73 56.64 2k6y s ARG 42 Cb 0.00 -3.39 0.05 0.00 0.52 0.00 0.00 34.95 32.13 2k6y s ARG 42 CO 0.00 0.13 0.22 0.54 0.02 0.00 0.00 175.30 176.21 2k6y s VAL 43 N 0.24 -0.17 -0.19 3.52 0.11 -1.26 -1.18 120.40 121.47 2k6y s VAL 43 Ca 0.49 0.22 -0.05 0.00 -2.93 0.00 0.00 61.98 59.71 2k6y s VAL 43 Cb -0.23 -0.36 0.09 0.00 -1.53 0.00 0.00 36.38 34.34 2k6y s VAL 43 CO 0.30 0.09 0.32 -1.61 -3.33 0.00 0.00 175.10 170.87 2k6y s GLU 44 N 1.69 0.24 -0.15 1.54 2.02 -0.28 -4.78 118.70 118.99 2k6y s GLU 44 Ca -0.05 0.67 -0.29 0.00 0.02 0.00 0.00 54.97 55.32 2k6y s GLU 44 Cb -0.11 -0.25 -0.01 0.00 0.10 0.00 0.00 34.13 33.85 2k6y s GLU 44 CO -0.08 -0.43 1.20 -1.17 0.02 0.00 0.00 175.26 174.80 2k6y s LEU 45 N 2.48 4.19 0.12 1.80 0.20 -1.26 -0.56 118.68 125.65 2k6y s LEU 45 Ca 0.04 1.65 0.05 0.00 0.69 0.00 0.00 54.13 56.57 2k6y s LEU 45 Cb -0.13 -3.54 -0.04 0.00 -0.43 0.00 0.00 46.19 42.04 2k6y s LEU 45 CO -0.12 -0.69 0.04 -1.00 -0.29 0.00 0.00 176.35 174.29 2k6y s HIS 46 N 3.09 3.02 0.63 5.38 3.76 0.03 -0.91 115.29 130.30 2k6y s HIS 46 Ca 0.53 -0.03 -0.01 0.00 -0.15 0.00 0.00 55.06 55.40 2k6y s HIS 46 Cb -0.21 -1.52 0.07 0.00 1.11 0.00 0.00 32.58 32.03 2k6y s HIS 46 CO 0.15 0.50 0.89 -1.83 -0.85 0.00 0.00 174.74 173.60 2k6y s GLU 47 N -2.57 2.22 -0.41 1.40 -1.05 -0.06 -1.36 118.70 116.86 2k6y s GLU 47 Ca 0.27 -0.74 0.05 0.00 -0.15 0.00 0.00 54.97 54.41 2k6y s GLU 47 Cb -0.11 -2.37 0.17 0.00 -0.44 0.00 0.00 34.13 31.38 2k6y s GLU 47 CO 0.20 -1.04 0.48 0.99 0.95 0.00 0.00 175.26 176.83 2k6y s THR 48 N -2.99 -0.46 0.25 1.83 2.01 0.59 -3.49 115.64 113.39 2k6y s THR 48 Ca 0.60 -1.09 0.02 0.00 0.31 0.00 0.00 61.69 61.53 2k6y s THR 48 Cb -0.09 -0.52 0.05 0.00 0.01 0.00 0.00 72.50 71.95 2k6y s THR 48 CO 0.42 -0.48 0.35 2.22 -0.69 0.00 0.00 174.62 176.43 2k6y n PHE 49 N 3.79 -2.94 -3.80 4.92 -1.74 -0.55 -3.40 117.46 113.74 2k6y n PHE 49 Ca 0.16 -0.77 -0.13 0.00 -0.56 0.00 0.00 57.45 56.15 2k6y n PHE 49 Cb 0.50 -0.25 -0.12 0.00 1.52 0.00 0.00 39.48 41.13 2k6y n PHE 49 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2k6y s MET 50 N -3.22 0.23 -0.03 3.97 0.23 -1.26 -1.87 119.30 117.34 2k6y s MET 50 Ca 0.25 0.28 -0.23 0.00 -1.03 0.00 0.00 55.69 54.95 2k6y s MET 50 Cb -0.02 0.10 0.05 0.00 -1.53 0.00 0.00 34.83 33.44 2k6y s MET 50 CO 0.16 -0.03 0.51 0.50 -2.03 0.00 0.00 175.02 174.13 2k6y s ARG 51 N 0.14 0.89 0.40 3.16 3.00 -0.47 -4.91 118.95 121.15 2k6y s ARG 51 Ca -0.00 0.02 -0.26 0.00 -1.00 0.00 0.00 55.73 54.49 2k6y s ARG 51 Cb -0.02 0.41 -0.09 0.00 0.00 0.00 0.00 34.95 35.25 2k6y s ARG 51 CO 0.00 -0.27 1.33 -1.83 0.00 0.00 0.00 175.30 174.53 2k6y s GLU 52 N -1.36 3.99 0.00 5.12 1.03 -1.26 -0.08 118.70 126.14 2k6y s GLU 52 Ca -0.12 2.22 0.00 0.00 0.03 0.00 0.00 54.97 57.10 2k6y s GLU 52 Cb -0.02 -2.80 0.00 0.00 -0.80 0.00 0.00 34.13 30.51 2k6y s GLU 52 CO 0.07 -0.49 0.00 0.28 -1.33 0.00 0.00 175.26 173.78 2k6y n VAL 53 N 0.20 0.00 -0.51 1.83 0.31 -0.77 -4.86 118.33 114.53 2k6y n VAL 53 Ca 0.03 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.32 2k6y n VAL 53 Cb 0.43 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.30 2k6y n VAL 53 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 2k6y n GLU 54 N 0.00 1.01 0.00 5.55 0.28 -1.26 -4.71 120.64 121.51 2k6y n GLU 54 Ca 0.00 -0.36 0.00 0.00 -0.16 0.00 0.00 57.16 56.64 2k6y n GLU 54 Cb 0.00 -1.53 0.00 0.00 1.43 0.00 0.00 31.44 31.34 2k6y n GLU 54 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2k6y n GLY 55 N 2.22 0.75 3.77 -1.84 0.00 -1.26 -4.96 105.19 103.88 2k6y n GLY 55 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 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 4.16 -0.40 1.61 1.02 -1.26 -4.70 119.74 120.17 2k6y s LYS 56 Ca 0.00 2.50 -0.29 0.00 0.02 0.00 0.00 55.97 58.20 2k6y s LYS 56 Cb 0.00 -3.00 0.02 0.00 -0.52 0.00 0.00 37.83 34.32 2k6y s LYS 56 CO 0.00 -0.49 1.23 0.15 -0.92 0.00 0.00 175.35 175.31 2k6y s LYS 57 N -1.59 3.79 -0.10 1.68 -0.14 -1.26 -1.85 119.74 120.26 2k6y s LYS 57 Ca 0.55 0.89 -0.04 0.00 -1.36 0.00 0.00 55.97 56.00 2k6y s LYS 57 Cb -0.45 -3.90 -0.04 0.00 -1.68 0.00 0.00 37.83 31.76 2k6y s LYS 57 CO 0.57 -1.29 0.06 0.08 -0.76 0.00 0.00 175.35 174.01 2k6y s VAL 58 N 4.54 4.84 0.16 3.17 1.01 0.88 -4.79 120.40 130.21 2k6y s VAL 58 Ca 0.53 -0.04 -0.26 0.00 0.00 0.00 0.00 61.98 62.20 2k6y s VAL 58 Cb -0.12 -3.07 -0.08 0.00 0.00 0.00 0.00 36.38 33.11 2k6y s VAL 58 CO 0.27 0.61 0.79 -0.04 0.00 0.00 0.00 175.10 176.73 2k6y s MET 59 N -0.89 4.58 0.18 2.72 -1.94 -1.26 -1.37 119.30 121.32 2k6y s MET 59 Ca 0.14 1.18 -0.17 0.00 -1.71 0.00 0.00 55.69 55.12 2k6y s MET 59 Cb -0.12 -3.27 0.03 0.00 2.01 0.00 0.00 34.83 33.49 2k6y s MET 59 CO 0.03 0.55 0.50 0.20 -0.01 0.00 0.00 175.02 176.29 2k6y s GLY 60 N -1.08 -0.16 0.35 -0.03 0.00 -0.78 -4.99 107.32 100.63 2k6y s GLY 60 Ca 0.36 -0.15 0.08 0.00 0.00 0.00 0.00 44.72 45.02 2k6y s GLY 60 CO 0.26 -0.25 0.12 1.06 0.00 0.00 0.00 173.10 174.29 2k6y s MET 61 N -3.85 2.29 -0.27 2.90 -1.94 -1.26 -1.48 119.30 115.69 2k6y s MET 61 Ca 0.07 -1.63 -0.26 0.00 -1.71 0.00 0.00 55.69 52.17 2k6y s MET 61 Cb -0.00 -2.10 0.13 0.00 2.01 0.00 0.00 34.83 34.87 2k6y s MET 61 CO -0.05 0.09 1.08 1.03 -0.01 0.00 0.00 175.02 177.16 2k6y s ARG 62 N -3.82 0.46 0.57 2.03 0.52 -1.23 -5.01 118.95 112.47 2k6y s ARG 62 Ca 0.37 0.46 -0.19 0.00 -0.52 0.00 0.00 55.73 55.86 2k6y s ARG 62 Cb -0.01 0.22 -0.05 0.00 0.52 0.00 0.00 34.95 35.63 2k6y s ARG 62 CO 0.22 -0.07 1.14 -1.25 0.02 0.00 0.00 175.30 175.36 2k6y s PRO 63 N -0.01 3.21 0.23 3.54 0.05 -1.26 -0.88 135.00 139.87 2k6y s PRO 63 Ca 0.03 1.62 0.10 0.00 0.05 0.00 0.00 61.00 62.80 2k6y s PRO 63 Cb -0.04 -1.98 -0.04 0.00 0.05 0.00 0.00 34.50 32.48 2k6y s PRO 63 CO -0.06 -0.97 -0.14 0.14 0.05 0.00 0.00 177.00 176.02 2k6y s VAL 64 N -1.82 2.85 0.34 -0.36 -7.23 -0.09 -4.82 120.40 109.27 2k6y s VAL 64 Ca 0.73 -1.99 0.29 0.00 -1.81 0.00 0.00 61.98 59.20 2k6y s VAL 64 Cb -0.24 -2.45 0.31 0.00 0.56 0.00 0.00 36.38 34.56 2k6y s VAL 64 CO 0.30 -0.24 2.04 1.55 -0.31 0.00 0.00 175.10 178.44 2k6y h PRO 65 N 2.62 0.00 -1.12 4.82 0.13 -1.93 -3.44 132.00 133.08 2k6y h PRO 65 Ca -0.44 0.00 0.36 0.00 -0.87 0.00 0.00 66.00 65.05 2k6y h PRO 65 Cb 1.23 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.21 2k6y h PRO 65 CO 0.55 0.11 0.95 -0.59 -0.23 0.00 0.00 178.00 178.80 2k6y s PHE 66 N -4.01 -0.02 0.40 1.56 -0.12 -1.26 -4.73 117.98 109.80 2k6y s PHE 66 Ca -0.02 -0.01 0.08 0.00 -0.05 0.00 0.00 56.93 56.93 2k6y s PHE 66 Cb 0.12 0.51 -0.02 0.00 -0.63 0.00 0.00 43.02 43.00 2k6y s PHE 66 CO 0.57 -0.07 0.35 -0.51 -0.05 0.00 0.00 175.22 175.52 2k6y s LEU 67 N -2.75 3.41 0.12 -1.99 1.43 -0.13 -5.00 118.68 113.78 2k6y s LEU 67 Ca 0.14 -0.72 -0.16 0.00 -1.03 0.00 0.00 54.13 52.36 2k6y s LEU 67 Cb 0.05 -2.06 0.03 0.00 0.03 0.00 0.00 46.19 44.25 2k6y s LEU 67 CO -0.05 -0.60 0.40 -1.83 0.23 0.00 0.00 176.35 174.50 2k6y s GLU 68 N -4.10 1.06 -0.03 1.70 -1.05 -1.26 -0.47 118.70 114.56 2k6y s GLU 68 Ca 0.47 -0.71 -0.01 0.00 -0.15 0.00 0.00 54.97 54.56 2k6y s GLU 68 Cb -0.03 0.47 0.02 0.00 -0.44 0.00 0.00 34.13 34.14 2k6y s GLU 68 CO 0.27 -0.41 0.07 0.08 0.95 0.00 0.00 175.26 176.21 2k6y s VAL 69 N -3.80 -0.03 0.91 1.83 1.01 0.91 -4.98 120.40 116.24 2k6y s VAL 69 Ca 0.03 0.11 -0.11 0.00 0.00 0.00 0.00 61.98 62.01 2k6y s VAL 69 Cb 0.02 -0.12 0.14 0.00 0.00 0.00 0.00 36.38 36.42 2k6y s VAL 69 CO -0.12 0.05 1.09 -2.16 0.00 0.00 0.00 175.10 173.96 2k6y s PRO 70 N 0.63 1.17 0.51 2.72 0.04 -1.26 -1.10 135.00 137.71 2k6y s PRO 70 Ca -0.05 0.90 -0.23 0.00 0.04 0.00 0.00 61.00 61.66 2k6y s PRO 70 Cb -0.07 -1.79 -0.06 0.00 0.04 0.00 0.00 34.50 32.61 2k6y s PRO 70 CO -0.02 -2.33 1.36 -0.35 0.04 0.00 0.00 177.00 175.70 2k6y n PRO 71 N -3.95 1.85 -0.61 0.56 -0.04 -1.26 -2.77 135.00 128.79 2k6y n PRO 71 Ca 0.07 0.67 0.00 0.00 -0.04 0.00 0.00 63.50 64.20 2k6y n PRO 71 Cb 0.55 -2.56 0.00 0.00 -0.04 0.00 0.00 33.50 31.44 2k6y n PRO 71 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2k6y n LYS 72 N -0.69 0.00 -3.08 0.54 4.76 -0.77 -4.97 118.16 113.95 2k6y n LYS 72 Ca 0.09 0.00 -0.40 0.00 -2.87 0.00 0.00 58.31 55.13 2k6y n LYS 72 Cb 0.43 -3.49 -0.05 0.00 -1.84 0.00 0.00 35.03 30.08 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 2.25 0.30 0.72 0.00 -0.96 -4.81 107.32 102.82 2k6y s GLY 73 Ca 0.00 -0.11 -0.15 0.00 0.00 0.00 0.00 44.72 44.47 2k6y s GLY 73 CO 0.00 1.27 0.71 0.50 0.00 0.00 0.00 173.10 175.59 2k6y s ARG 74 N 1.51 4.00 -0.18 2.90 0.52 -1.26 -0.96 118.95 125.48 2k6y s ARG 74 Ca 0.32 0.64 -0.11 0.00 -0.52 0.00 0.00 55.73 56.07 2k6y s ARG 74 Cb -0.16 -2.50 0.06 0.00 0.52 0.00 0.00 34.95 32.87 2k6y s ARG 74 CO 0.13 0.20 0.44 0.14 0.02 0.00 0.00 175.30 176.23 2k6y s VAL 75 N -1.92 -0.02 -0.03 3.52 -7.23 0.22 -5.00 120.40 109.94 2k6y s VAL 75 Ca 0.52 0.07 -0.20 0.00 -1.81 0.00 0.00 61.98 60.57 2k6y s VAL 75 Cb -0.11 -0.65 -0.05 0.00 0.56 0.00 0.00 36.38 36.13 2k6y s VAL 75 CO 0.18 0.03 0.55 -1.61 -0.31 0.00 0.00 175.10 173.94 2k6y s GLU 76 N 1.22 4.28 -1.23 4.82 8.01 -1.26 -1.04 118.70 133.50 2k6y s GLU 76 Ca -0.08 0.65 -0.14 0.00 0.01 0.00 0.00 54.97 55.41 2k6y s GLU 76 Cb -0.07 -3.35 -0.05 0.00 -4.31 0.00 0.00 34.13 26.35 2k6y s GLU 76 CO -0.11 0.36 2.29 1.28 0.01 0.00 0.00 175.26 179.08 2k6y n LEU 77 N 2.83 6.25 -4.68 1.80 4.32 -0.49 -4.90 117.00 122.13 2k6y n LEU 77 Ca -0.08 -3.66 -0.45 0.00 -0.02 0.00 0.00 56.01 51.80 2k6y n LEU 77 Cb 0.51 -1.41 -0.04 0.00 -1.62 0.00 0.00 43.42 40.87 2k6y n LEU 77 CO 0.43 0.86 1.41 2.29 -1.22 0.00 0.00 177.39 181.16 2k6y n LYS 78 N 5.48 2.42 0.01 3.23 2.85 -1.26 -4.44 118.16 126.46 2k6y n LYS 78 Ca 0.56 0.88 0.03 0.00 -1.05 0.00 0.00 58.31 58.73 2k6y n LYS 78 Cb 0.32 -2.73 0.39 0.00 -0.65 0.00 0.00 35.03 32.36 2k6y n LYS 78 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 177.40 176.35 2k6y h PRO 79 N 8.19 0.51 -2.06 -1.58 0.13 -1.93 -0.99 132.00 134.27 2k6y h PRO 79 Ca -0.47 -0.05 -0.10 0.00 -0.87 0.00 0.00 66.00 64.51 2k6y h PRO 79 Cb 1.25 -0.10 -0.04 0.00 0.13 0.00 0.00 31.00 32.24 2k6y h PRO 79 CO 0.93 0.40 -0.17 0.41 -0.23 0.00 0.00 178.00 179.35 2k6y n GLY 80 N -1.28 2.58 1.05 1.56 0.00 -1.26 -4.05 105.19 103.78 2k6y n GLY 80 Ca 0.02 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.43 2k6y n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k6y n GLY 81 N 2.11 -1.35 3.26 -0.02 0.00 -0.50 -4.93 105.19 103.76 2k6y n GLY 81 Ca 0.22 0.40 -0.13 0.00 0.00 0.00 0.00 46.02 46.50 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 -2.00 -0.30 0.25 1.61 2.02 -0.50 -0.30 117.35 118.13 2k6y s TYR 82 Ca 0.00 0.62 -0.20 0.00 -0.37 0.00 0.00 57.07 57.12 2k6y s TYR 82 Cb 0.00 0.13 0.07 0.00 -0.40 0.00 0.00 41.96 41.76 2k6y s TYR 82 CO 0.00 -0.31 0.98 -3.38 -1.57 0.00 0.00 175.55 171.27 2k6y s HIS 83 N -0.65 0.11 -0.10 2.71 -3.43 -0.46 -3.94 115.29 109.52 2k6y s HIS 83 Ca -0.07 -0.60 0.02 0.00 -0.80 0.00 0.00 55.06 53.61 2k6y s HIS 83 Cb -0.04 0.75 -0.01 0.00 -1.43 0.00 0.00 32.58 31.85 2k6y s HIS 83 CO 0.03 -1.12 -0.16 -0.06 -2.00 0.00 0.00 174.74 171.43 2k6y s PHE 84 N -2.08 2.71 0.00 0.38 0.08 -0.36 -0.79 117.98 117.92 2k6y s PHE 84 Ca 0.21 -0.62 -0.15 0.00 0.12 0.00 0.00 56.93 56.49 2k6y s PHE 84 Cb -0.03 -1.75 -0.06 0.00 -0.57 0.00 0.00 43.02 40.60 2k6y s PHE 84 CO 0.07 -0.17 0.42 -1.64 -0.10 0.00 0.00 175.22 173.80 2k6y s MET 85 N 0.09 3.94 0.02 0.44 -1.94 0.28 -1.55 119.30 120.57 2k6y s MET 85 Ca -0.07 0.43 0.07 0.00 -1.71 0.00 0.00 55.69 54.40 2k6y s MET 85 Cb -0.15 -3.23 -0.02 0.00 2.01 0.00 0.00 34.83 33.44 2k6y s MET 85 CO 0.05 0.68 -0.20 -0.51 -0.01 0.00 0.00 175.02 175.03 2k6y s LEU 86 N -1.04 2.12 0.09 -0.03 2.01 -0.40 -1.12 118.68 120.30 2k6y s LEU 86 Ca 0.24 -0.46 -0.08 0.00 0.01 0.00 0.00 54.13 53.84 2k6y s LEU 86 Cb -0.17 -0.97 -0.01 0.00 0.01 0.00 0.00 46.19 45.05 2k6y s LEU 86 CO 0.14 0.18 0.17 -0.76 1.01 0.00 0.00 176.35 177.09 2k6y s LEU 87 N -0.92 1.52 0.00 1.79 1.43 -0.33 -1.13 118.68 121.04 2k6y s LEU 87 Ca 0.07 -0.71 0.00 0.00 -1.03 0.00 0.00 54.13 52.47 2k6y s LEU 87 Cb -0.08 0.95 0.00 0.00 0.03 0.00 0.00 46.19 47.08 2k6y s LEU 87 CO 0.01 -0.72 0.00 0.61 0.23 0.00 0.00 176.35 176.48 2k6y n GLY 88 N -0.05 2.22 0.50 -3.19 0.00 -0.13 -1.63 105.19 102.91 2k6y n GLY 88 Ca -0.14 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.71 0.19 0.99 4.77 -1.26 -4.67 117.00 114.31 2k6y n LEU 89 Ca 0.00 0.54 0.08 0.00 -0.03 0.00 0.00 56.01 56.60 2k6y n LEU 89 Cb 0.00 -0.40 0.19 0.00 -2.33 0.00 0.00 43.42 40.88 2k6y n LEU 89 CO 0.00 -0.18 0.67 0.11 -1.33 0.00 0.00 177.39 176.66 2k6y h LYS 90 N 0.59 0.00 -2.65 3.23 1.57 -1.79 -3.47 116.57 114.05 2k6y h LYS 90 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2k6y h LYS 90 Cb 0.00 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 32.17 2k6y h LYS 90 CO 0.00 0.26 0.28 1.03 -0.57 0.00 0.00 179.45 180.45 2k6y s ARG 91 N -3.22 1.13 0.50 3.15 0.52 -1.26 -5.12 118.95 114.66 2k6y s ARG 91 Ca 0.04 -0.30 -0.21 0.00 -0.52 0.00 0.00 55.73 54.74 2k6y s ARG 91 Cb 0.07 0.52 -0.07 0.00 0.52 0.00 0.00 34.95 35.99 2k6y s ARG 91 CO 0.69 -0.47 1.11 -1.25 0.02 0.00 0.00 175.30 175.40 2k6y s PRO 92 N -3.14 3.59 0.36 3.54 0.04 -1.26 -4.97 135.00 133.16 2k6y s PRO 92 Ca -0.00 1.57 0.01 0.00 0.04 0.00 0.00 61.00 62.62 2k6y s PRO 92 Cb -0.01 -2.13 0.01 0.00 0.04 0.00 0.00 34.50 32.41 2k6y s PRO 92 CO -0.08 -0.65 0.10 1.28 0.04 0.00 0.00 177.00 177.69 2k6y n LEU 93 N -0.99 0.00 -3.69 -3.56 7.99 -1.26 -5.10 117.00 110.39 2k6y n LEU 93 Ca 0.10 -2.09 -0.14 0.00 -0.01 0.00 0.00 56.01 53.87 2k6y n LEU 93 Cb 0.51 0.15 -0.09 0.00 -0.11 0.00 0.00 43.42 43.88 2k6y n LEU 93 CO 0.43 -0.37 0.20 -0.75 -1.51 0.00 0.00 177.39 175.39 2k6y s LYS 94 N -3.35 0.64 0.09 3.23 2.36 -1.26 -4.96 119.74 116.49 2k6y s LYS 94 Ca 0.08 0.60 -0.24 0.00 -2.55 0.00 0.00 55.97 53.86 2k6y s LYS 94 Cb -0.01 0.31 -0.13 0.00 -1.05 0.00 0.00 37.83 36.95 2k6y s LYS 94 CO 0.05 -0.10 0.55 0.00 1.55 0.00 0.00 175.35 177.39 2k6y n ALA 95 N 2.52 -2.57 -1.30 3.13 0.00 -1.26 -3.16 120.51 117.87 2k6y n ALA 95 Ca -0.15 0.37 -0.02 0.00 0.00 0.00 0.00 53.44 53.64 2k6y n ALA 95 Cb 0.56 -1.23 -0.01 0.00 0.00 0.00 0.00 19.45 18.77 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 1.33 0.49 3.77 0.00 0.00 -0.92 -5.05 105.19 104.81 2k6y n GLY 96 Ca 0.14 -0.94 -0.24 0.00 0.00 0.00 0.00 46.02 44.98 2k6y n GLY 96 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k6y n GLU 97 N -2.52 -0.43 -4.38 1.61 1.02 -1.19 -4.93 120.64 109.82 2k6y n GLU 97 Ca -0.02 -2.46 -0.19 0.00 -0.02 0.00 0.00 57.16 54.47 2k6y n GLU 97 Cb 0.18 -0.84 -0.10 0.00 -0.02 0.00 0.00 31.44 30.65 2k6y n GLU 97 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 2k6y s GLU 98 N -5.26 1.50 -0.09 3.49 -1.05 -1.26 -0.03 118.70 116.00 2k6y s GLU 98 Ca 0.67 -1.81 -0.02 0.00 -0.15 0.00 0.00 54.97 53.66 2k6y s GLU 98 Cb -0.03 -0.62 0.04 0.00 -0.44 0.00 0.00 34.13 33.07 2k6y s GLU 98 CO 0.45 -0.20 0.02 0.08 0.95 0.00 0.00 175.26 176.57 2k6y s VAL 99 N -3.46 0.30 0.00 1.83 1.01 0.93 -4.81 120.40 116.20 2k6y s VAL 99 Ca 0.35 0.04 -0.01 0.00 0.00 0.00 0.00 61.98 62.36 2k6y s VAL 99 Cb 0.08 -0.56 -0.05 0.00 0.00 0.00 0.00 36.38 35.85 2k6y s VAL 99 CO 0.13 0.14 2.04 -1.84 0.00 0.00 0.00 175.10 175.57 2k6y n GLU 100 N 5.16 1.05 -2.03 2.72 -0.00 -1.26 -1.86 120.64 124.42 2k6y n GLU 100 Ca -0.07 -0.18 -0.41 0.00 -0.00 0.00 0.00 57.16 56.50 2k6y n GLU 100 Cb 0.49 -1.24 -0.02 0.00 -0.00 0.00 0.00 31.44 30.67 2k6y n GLU 100 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 2k6y s LEU 101 N 0.00 4.39 -0.33 -1.84 0.20 -0.83 -4.69 118.68 115.58 2k6y s LEU 101 Ca 0.12 2.71 -0.09 0.00 0.69 0.00 0.00 54.13 57.56 2k6y s LEU 101 Cb 0.06 -3.64 0.02 0.00 -0.43 0.00 0.00 46.19 42.20 2k6y s LEU 101 CO 0.00 -0.66 0.15 -1.81 -0.29 0.00 0.00 176.35 173.73 2k6y s ASP 102 N 0.04 5.48 -0.23 3.68 1.01 0.25 -0.27 116.67 126.63 2k6y s ASP 102 Ca 0.55 -0.83 -0.27 0.00 0.71 0.00 0.00 52.55 52.71 2k6y s ASP 102 Cb -0.42 -1.96 0.00 0.00 1.01 0.00 0.00 42.92 41.55 2k6y s ASP 102 CO 0.48 -0.28 0.93 -0.76 0.21 0.00 0.00 175.17 175.75 2k6y s LEU 103 N 1.53 4.10 -0.24 1.23 1.43 0.12 -0.68 118.68 126.18 2k6y s LEU 103 Ca 0.02 1.22 -0.14 0.00 -1.03 0.00 0.00 54.13 54.20 2k6y s LEU 103 Cb -0.18 -3.37 -0.04 0.00 0.03 0.00 0.00 46.19 42.63 2k6y s LEU 103 CO 0.05 -0.58 0.31 -0.76 0.23 0.00 0.00 176.35 175.60 2k6y s LEU 104 N 2.96 4.10 -0.07 1.79 1.43 -0.31 -1.76 118.68 126.83 2k6y s LEU 104 Ca 0.40 0.31 0.05 0.00 -1.03 0.00 0.00 54.13 53.85 2k6y s LEU 104 Cb -0.15 -2.35 -0.01 0.00 0.03 0.00 0.00 46.19 43.71 2k6y s LEU 104 CO 0.07 -0.06 -0.23 -0.36 0.23 0.00 0.00 176.35 176.00 2k6y s PHE 105 N 1.48 2.30 0.00 0.29 0.40 -0.51 -0.60 117.98 121.34 2k6y s PHE 105 Ca 0.14 -0.76 -0.05 0.00 -0.60 0.00 0.00 56.93 55.66 2k6y s PHE 105 Cb -0.15 -1.53 -0.21 0.00 0.51 0.00 0.00 43.02 41.64 2k6y s PHE 105 CO 0.08 -0.27 3.23 0.00 0.70 0.00 0.00 175.22 178.96 2k6y n ALA 106 N 3.17 5.77 -1.98 5.36 0.00 0.07 -2.98 120.51 129.93 2k6y n ALA 106 Ca -0.18 -1.45 0.00 0.00 0.00 0.00 0.00 53.44 51.81 2k6y n ALA 106 Cb 0.52 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.88 2k6y n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k6y n GLY 107 N 2.35 0.44 2.27 0.00 0.00 -1.26 -4.81 105.19 104.17 2k6y n GLY 107 Ca 0.34 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.27 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 0.00 0.05 3.10 -0.02 0.00 -1.16 -5.06 105.19 102.10 2k6y n GLY 108 Ca 0.00 -0.19 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 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 -4.79 0.48 -0.05 1.61 3.01 -1.20 -5.08 119.74 113.71 2k6y s LYS 109 Ca 0.03 -0.42 -0.02 0.00 -1.01 0.00 0.00 55.97 54.55 2k6y s LYS 109 Cb -0.01 0.20 0.03 0.00 -1.01 0.00 0.00 37.83 37.04 2k6y s LYS 109 CO 0.37 -0.11 0.12 0.54 0.51 0.00 0.00 175.35 176.78 2k6y s VAL 110 N -1.40 -0.04 -0.16 3.17 0.11 -1.26 -1.42 120.40 119.40 2k6y s VAL 110 Ca -0.15 0.16 0.02 0.00 -2.93 0.00 0.00 61.98 59.08 2k6y s VAL 110 Cb -0.08 -0.20 0.01 0.00 -1.53 0.00 0.00 36.38 34.59 2k6y s VAL 110 CO 0.01 0.06 -0.21 -0.76 -3.33 0.00 0.00 175.10 170.88 2k6y s LEU 111 N 0.98 2.11 0.06 2.54 2.01 -0.72 -4.94 118.68 120.72 2k6y s LEU 111 Ca -0.08 -0.62 -0.30 0.00 0.01 0.00 0.00 54.13 53.14 2k6y s LEU 111 Cb -0.10 -1.45 -0.04 0.00 0.01 0.00 0.00 46.19 44.60 2k6y s LEU 111 CO -0.05 0.04 0.98 -0.75 1.01 0.00 0.00 176.35 177.58 2k6y s LYS 112 N 1.04 4.63 -0.07 1.70 2.20 -1.26 -0.70 119.74 127.27 2k6y s LYS 112 Ca -0.01 1.45 0.01 0.00 -0.36 0.00 0.00 55.97 57.06 2k6y s LYS 112 Cb -0.14 -3.41 0.02 0.00 -1.51 0.00 0.00 37.83 32.78 2k6y s LYS 112 CO -0.07 0.08 -0.10 0.14 -0.36 0.00 0.00 175.35 175.03 2k6y s VAL 113 N 0.50 1.04 0.21 4.02 -7.23 0.62 -4.98 120.40 114.59 2k6y s VAL 113 Ca 0.50 -0.39 -0.30 0.00 -1.81 0.00 0.00 61.98 59.97 2k6y s VAL 113 Cb -0.22 -0.99 -0.08 0.00 0.56 0.00 0.00 36.38 35.65 2k6y s VAL 113 CO 0.29 0.34 0.97 0.68 -0.31 0.00 0.00 175.10 177.07 2k6y s VAL 114 N 0.95 4.11 -0.03 1.32 -7.23 -1.26 -1.97 120.40 116.29 2k6y s VAL 114 Ca -0.09 2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 62.03 2k6y s VAL 114 Cb -0.15 -4.28 0.01 0.00 0.56 0.00 0.00 36.38 32.52 2k6y s VAL 114 CO 0.00 0.43 0.12 -0.76 -0.31 0.00 0.00 175.10 174.58 2k6y s LEU 115 N -0.86 1.57 0.60 1.32 1.43 -0.78 -4.97 118.68 117.00 2k6y s LEU 115 Ca 0.43 0.12 -0.17 0.00 -1.03 0.00 0.00 54.13 53.48 2k6y s LEU 115 Cb -0.26 0.46 -0.03 0.00 0.03 0.00 0.00 46.19 46.39 2k6y s LEU 115 CO 0.32 -0.13 1.10 -2.16 0.23 0.00 0.00 176.35 175.72 2k6y s PRO 116 N -0.32 3.13 -0.38 1.29 0.04 -1.26 -0.05 135.00 137.46 2k6y s PRO 116 Ca -0.04 1.43 -0.26 0.00 0.04 0.00 0.00 61.00 62.16 2k6y s PRO 116 Cb -0.03 -1.99 0.02 0.00 0.04 0.00 0.00 34.50 32.54 2k6y s PRO 116 CO 0.00 -0.99 0.96 0.08 0.04 0.00 0.00 177.00 177.09 2k6y s VAL 117 N -2.15 4.54 -0.01 -0.36 1.01 0.96 -1.12 120.40 123.27 2k6y s VAL 117 Ca 0.68 1.22 -0.03 0.00 0.00 0.00 0.00 61.98 63.86 2k6y s VAL 117 Cb -0.21 -4.37 -0.04 0.00 0.00 0.00 0.00 36.38 31.77 2k6y s VAL 117 CO 0.35 -0.59 0.17 -0.70 0.00 0.00 0.00 175.10 174.33 2k6y s GLU 118 N 3.59 3.41 -0.40 2.72 2.56 -0.30 -2.17 118.70 128.11 2k6y s GLU 118 Ca 0.40 -0.33 0.10 0.00 0.00 0.00 0.00 54.97 55.14 2k6y s GLU 118 Cb -0.11 -3.08 0.37 0.00 2.00 0.00 0.00 34.13 33.30 2k6y s GLU 118 CO 0.20 0.68 1.09 0.00 -0.56 0.00 0.00 175.26 176.67 2k6y n ALA 119 N 1.01 1.06 -0.90 6.30 0.00 -1.26 -0.53 120.51 126.19 2k6y n ALA 119 Ca -0.11 -2.05 0.00 0.00 0.00 0.00 0.00 53.44 51.28 2k6y n ALA 119 Cb 0.53 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.95 2k6y n ALA 119 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37