#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 1.83 -4.58 1.61 2.88 -1.26 -5.08 113.62 109.02 2k6y n SER 2 Ca 0.00 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.14 2k6y n SER 2 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 2k6y n SER 2 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 2k6y s PHE 3 N 0.04 1.26 0.57 0.66 0.40 -1.26 -4.98 117.98 114.67 2k6y s PHE 3 Ca 0.00 0.92 -0.20 0.00 -0.60 0.00 0.00 56.93 57.05 2k6y s PHE 3 Cb 0.00 -3.85 -0.04 0.00 0.51 0.00 0.00 43.02 39.64 2k6y s PHE 3 CO 0.00 -3.26 1.27 0.99 0.70 0.00 0.00 175.22 174.91 2k6y s THR 4 N 9.49 2.39 -0.00 0.64 2.01 -1.26 -5.07 115.64 123.83 2k6y s THR 4 Ca 0.94 0.27 -0.02 0.00 0.31 0.00 0.00 61.69 63.19 2k6y s THR 4 Cb -0.25 -3.12 -0.00 0.00 0.01 0.00 0.00 72.50 69.14 2k6y s THR 4 CO 0.31 -0.03 0.04 -0.70 -0.69 0.00 0.00 174.62 173.55 2k6y s GLU 5 N -3.11 0.20 0.00 4.92 2.56 -1.26 -5.05 118.70 116.96 2k6y s GLU 5 Ca 0.75 -0.20 0.00 0.00 0.00 0.00 0.00 54.97 55.51 2k6y s GLU 5 Cb -0.35 0.08 0.00 0.00 2.00 0.00 0.00 34.13 35.86 2k6y s GLU 5 CO 0.39 -0.04 0.00 0.41 -0.56 0.00 0.00 175.26 175.47 2k6y n GLY 6 N 2.38 2.66 3.37 -1.50 0.00 -1.26 -0.63 105.19 110.21 2k6y n GLY 6 Ca -0.17 -1.78 -0.13 0.00 0.00 0.00 0.00 46.02 43.94 2k6y n GLY 6 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2k6y s TRP 7 N -1.76 -0.37 -0.22 1.61 -2.14 -0.44 -4.10 118.94 111.52 2k6y s TRP 7 Ca 0.00 0.37 -0.03 0.00 2.66 0.00 0.00 56.10 59.09 2k6y s TRP 7 Cb 0.00 0.31 -0.00 0.00 -3.10 0.00 0.00 33.47 30.68 2k6y s TRP 7 CO 0.00 -0.64 -0.05 0.08 -2.66 0.00 0.00 176.95 173.68 2k6y s VAL 8 N -2.59 3.26 -0.50 -0.66 1.01 -0.42 -1.61 120.40 118.89 2k6y s VAL 8 Ca -0.04 -0.59 -0.27 0.00 0.00 0.00 0.00 61.98 61.08 2k6y s VAL 8 Cb -0.01 -2.51 0.03 0.00 0.00 0.00 0.00 36.38 33.90 2k6y s VAL 8 CO -0.03 0.39 1.02 -0.60 0.00 0.00 0.00 175.10 175.88 2k6y s ARG 9 N 1.45 3.54 0.23 2.72 3.00 -0.43 -0.79 118.95 128.67 2k6y s ARG 9 Ca 0.05 0.20 -0.30 0.00 -1.00 0.00 0.00 55.73 54.68 2k6y s ARG 9 Cb -0.15 -3.96 -0.09 0.00 0.00 0.00 0.00 34.95 30.76 2k6y s ARG 9 CO -0.04 -1.38 1.23 0.12 0.00 0.00 0.00 175.30 175.24 2k6y s PHE 10 N 4.14 3.34 0.12 5.12 5.36 0.21 -3.97 117.98 132.31 2k6y s PHE 10 Ca 0.40 1.41 0.05 0.00 -0.96 0.00 0.00 56.93 57.82 2k6y s PHE 10 Cb -0.09 -3.50 -0.04 0.00 -0.34 0.00 0.00 43.02 39.05 2k6y s PHE 10 CO 0.26 -1.40 -0.12 0.45 -1.46 0.00 0.00 175.22 172.96 2k6y s SER 11 N -0.07 1.75 0.02 6.13 0.15 -1.26 -4.02 113.70 116.40 2k6y s SER 11 Ca 0.52 -0.85 0.13 0.00 0.70 0.00 0.00 55.95 56.44 2k6y s SER 11 Cb -0.35 -0.03 0.54 0.00 -1.71 0.00 0.00 66.02 64.47 2k6y s SER 11 CO 0.40 -0.23 1.40 -0.81 1.20 0.00 0.00 173.24 175.20 2k6y n PRO 12 N 0.39 0.02 0.00 5.44 -0.04 -1.26 -4.90 135.00 134.64 2k6y n PRO 12 Ca -0.15 0.31 0.00 0.00 -0.04 0.00 0.00 63.50 63.63 2k6y n PRO 12 Cb 0.58 -1.53 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 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 -0.30 -0.08 0.00 0.55 0.00 -1.26 -4.95 105.19 99.15 2k6y n GLY 13 Ca 0.03 -2.28 0.13 0.00 0.00 0.00 0.00 46.02 43.90 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 -0.36 0.79 -4.05 1.61 -0.04 -1.26 -4.94 135.00 126.74 2k6y n PRO 14 Ca 0.00 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.33 2k6y n PRO 14 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 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 -2.06 0.76 0.00 3.54 2.20 -1.26 -4.31 114.94 113.80 2k6y s ASN 15 Ca 0.38 -1.42 0.00 0.00 -0.94 0.00 0.00 52.86 50.89 2k6y s ASN 15 Cb 0.18 0.68 0.00 0.00 -2.00 0.00 0.00 41.25 40.11 2k6y s ASN 15 CO 0.32 -1.34 0.00 0.00 -2.94 0.00 0.00 177.10 173.14 2k6y n ALA 16 N -0.55 0.00 -3.19 3.54 0.00 -0.17 -4.71 120.51 115.42 2k6y n ALA 16 Ca -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 2k6y n ALA 16 Cb 0.61 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.00 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 -1.00 -1.07 0.12 0.00 0.00 -1.25 -0.90 121.76 117.66 2k6y s ALA 17 Ca 0.00 0.37 0.08 0.00 0.00 0.00 0.00 51.96 52.41 2k6y s ALA 17 Cb 0.00 0.34 -0.04 0.00 0.00 0.00 0.00 23.12 23.43 2k6y s ALA 17 CO 0.00 -0.46 -0.19 0.00 0.00 0.00 0.00 175.76 175.11 2k6y s ALA 18 N -2.43 1.78 0.03 0.00 0.00 0.22 -1.32 121.76 120.04 2k6y s ALA 18 Ca -0.06 -1.31 0.02 0.00 0.00 0.00 0.00 51.96 50.62 2k6y s ALA 18 Cb -0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 23.12 22.90 2k6y s ALA 18 CO -0.02 0.28 -0.07 0.71 0.00 0.00 0.00 175.76 176.65 2k6y s TYR 19 N -1.55 0.63 -0.14 0.00 2.02 -0.63 -2.08 117.35 115.59 2k6y s TYR 19 Ca 0.09 -0.44 -0.31 0.00 -0.37 0.00 0.00 57.07 56.03 2k6y s TYR 19 Cb -0.08 -0.38 0.13 0.00 -0.40 0.00 0.00 41.96 41.23 2k6y s TYR 19 CO 0.05 -0.08 1.08 -0.48 -1.57 0.00 0.00 175.55 174.55 2k6y s LEU 20 N -1.36 -0.25 -0.11 -1.29 0.05 -1.26 -1.32 118.68 113.13 2k6y s LEU 20 Ca -0.08 0.12 -0.11 0.00 0.05 0.00 0.00 54.13 54.11 2k6y s LEU 20 Cb -0.09 1.66 -0.05 0.00 -2.05 0.00 0.00 46.19 45.67 2k6y s LEU 20 CO 0.00 -0.35 0.23 -0.89 -0.55 0.00 0.00 176.35 174.80 2k6y s THR 21 N -2.06 5.35 0.09 5.48 2.01 0.20 -1.51 115.64 125.20 2k6y s THR 21 Ca 0.05 0.42 0.07 0.00 0.31 0.00 0.00 61.69 62.53 2k6y s THR 21 Cb -0.01 -3.53 -0.04 0.00 0.01 0.00 0.00 72.50 68.94 2k6y s THR 21 CO -0.04 0.54 -0.10 -0.22 -0.69 0.00 0.00 174.62 174.11 2k6y s LEU 22 N -0.54 3.06 -0.15 4.42 0.20 -0.25 -4.70 118.68 120.72 2k6y s LEU 22 Ca 0.16 -0.36 -0.06 0.00 0.69 0.00 0.00 54.13 54.57 2k6y s LEU 22 Cb -0.13 -1.84 0.07 0.00 -0.43 0.00 0.00 46.19 43.86 2k6y s LEU 22 CO 0.05 0.19 0.32 -1.83 -0.29 0.00 0.00 176.35 174.79 2k6y s GLU 23 N -2.12 0.22 -0.34 1.98 -1.05 -1.26 -0.52 118.70 115.60 2k6y s GLU 23 Ca 0.21 0.85 -0.21 0.00 -0.15 0.00 0.00 54.97 55.67 2k6y s GLU 23 Cb -0.11 0.10 0.00 0.00 -0.44 0.00 0.00 34.13 33.68 2k6y s GLU 23 CO 0.13 -0.27 0.66 1.21 0.95 0.00 0.00 175.26 177.94 2k6y s ASN 24 N 2.45 6.47 0.00 0.83 2.47 -0.14 -4.71 114.94 122.31 2k6y s ASN 24 Ca -0.00 0.26 0.27 0.00 0.42 0.00 0.00 52.86 53.80 2k6y s ASN 24 Cb -0.12 -2.34 0.84 0.00 -1.45 0.00 0.00 41.25 38.18 2k6y s ASN 24 CO -0.10 -0.58 1.64 -0.81 -3.72 0.00 0.00 177.10 173.52 2k6y n PRO 25 N 6.06 0.19 -1.73 0.43 -0.04 -1.26 -2.14 135.00 136.50 2k6y n PRO 25 Ca -0.00 -0.08 -0.29 0.00 -0.04 0.00 0.00 63.50 63.08 2k6y n PRO 25 Cb 0.49 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.55 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 -2.87 1.59 0.00 0.55 0.00 -1.26 -4.54 107.32 100.78 2k6y s GLY 26 Ca 0.16 -0.55 0.25 0.00 0.00 0.00 0.00 44.72 44.58 2k6y s GLY 26 CO 0.60 -0.05 1.42 1.22 0.00 0.00 0.00 173.10 176.30 2k6y n ASP 27 N -3.48 1.92 -4.58 1.64 9.92 -1.26 -1.76 116.55 118.95 2k6y n ASP 27 Ca 0.07 -1.50 -0.24 0.00 -0.53 0.00 0.00 54.79 52.59 2k6y n ASP 27 Cb 0.60 0.14 -0.09 0.00 -0.64 0.00 0.00 41.12 41.13 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 -2.22 2.93 0.65 0.64 0.05 -1.26 -4.80 118.68 114.66 2k6y s LEU 28 Ca 0.28 -0.87 -0.11 0.00 0.05 0.00 0.00 54.13 53.48 2k6y s LEU 28 Cb 0.20 -1.40 -0.02 0.00 -2.05 0.00 0.00 46.19 42.91 2k6y s LEU 28 CO 0.42 -0.04 1.05 -2.16 -0.55 0.00 0.00 176.35 175.07 2k6y s PRO 29 N -3.62 3.35 0.10 1.48 0.04 -1.26 -3.85 135.00 131.24 2k6y s PRO 29 Ca 0.32 0.65 0.06 0.00 0.04 0.00 0.00 61.00 62.06 2k6y s PRO 29 Cb -0.04 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 2k6y s PRO 29 CO 0.18 -0.73 -0.02 -0.51 0.04 0.00 0.00 177.00 175.96 2k6y s LEU 30 N -5.24 3.34 -0.19 -3.56 1.43 -0.11 -4.91 118.68 109.44 2k6y s LEU 30 Ca 0.56 -0.25 0.01 0.00 -1.03 0.00 0.00 54.13 53.41 2k6y s LEU 30 Cb -0.11 -2.08 0.04 0.00 0.03 0.00 0.00 46.19 44.07 2k6y s LEU 30 CO 0.53 0.17 -0.09 -0.60 0.23 0.00 0.00 176.35 176.59 2k6y s ARG 31 N -2.36 1.87 -0.27 1.70 3.52 -1.26 -0.17 118.95 121.98 2k6y s ARG 31 Ca 0.25 -0.77 -0.19 0.00 -0.13 0.00 0.00 55.73 54.89 2k6y s ARG 31 Cb -0.11 -2.32 -0.02 0.00 -1.56 0.00 0.00 34.95 30.93 2k6y s ARG 31 CO 0.17 -0.43 0.58 -1.17 -0.81 0.00 0.00 175.30 173.64 2k6y s LEU 32 N 1.45 4.08 0.00 -0.88 2.96 0.49 -1.68 118.68 125.11 2k6y s LEU 32 Ca -0.01 0.57 0.05 0.00 -0.22 0.00 0.00 54.13 54.53 2k6y s LEU 32 Cb -0.16 -2.77 -0.04 0.00 0.50 0.00 0.00 46.19 43.72 2k6y s LEU 32 CO -0.08 -0.36 0.28 1.33 -1.32 0.00 0.00 176.35 176.20 2k6y n VAL 33 N 5.22 0.00 -3.29 1.68 0.24 0.67 -0.80 118.33 122.05 2k6y n VAL 33 Ca -0.02 -0.39 0.00 0.00 -2.04 0.00 0.00 64.34 61.88 2k6y n VAL 33 Cb 0.49 1.02 0.00 0.00 -1.47 0.00 0.00 33.84 33.88 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 1.02 -0.69 0.69 7.63 0.00 -1.16 -4.85 105.19 107.83 2k6y n GLY 34 Ca 0.01 -0.78 -0.03 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.04 -3.19 4.61 0.00 -1.26 -0.82 120.51 119.81 2k6y n ALA 35 Ca 0.00 -0.34 -0.13 0.00 0.00 0.00 0.00 53.44 52.97 2k6y n ALA 35 Cb 0.00 0.28 -0.10 0.00 0.00 0.00 0.00 19.45 19.63 2k6y n ALA 35 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2k6y s ARG 36 N -2.18 0.45 0.03 0.00 1.81 0.02 -4.80 118.95 114.27 2k6y s ARG 36 Ca 0.06 0.15 -0.13 0.00 -1.72 0.00 0.00 55.73 54.10 2k6y s ARG 36 Cb -0.00 0.21 0.02 0.00 -0.45 0.00 0.00 34.95 34.72 2k6y s ARG 36 CO 0.04 -0.09 0.28 -0.08 -0.68 0.00 0.00 175.30 174.77 2k6y s THR 37 N -0.43 0.08 0.06 0.02 -1.32 -1.26 -0.60 115.64 112.19 2k6y s THR 37 Ca -0.05 -0.68 -0.17 0.00 -1.21 0.00 0.00 61.69 59.57 2k6y s THR 37 Cb -0.04 -0.85 -0.16 0.00 -1.51 0.00 0.00 72.50 69.95 2k6y s THR 37 CO 0.02 -0.38 1.28 1.55 -2.21 0.00 0.00 174.62 174.88 2k6y h PRO 38 N 3.43 0.55 0.00 7.08 0.13 -1.99 -3.36 132.00 137.84 2k6y h PRO 38 Ca -0.31 -0.40 0.00 0.00 -0.87 0.00 0.00 66.00 64.42 2k6y h PRO 38 Cb 1.19 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2k6y h PRO 38 CO 0.45 1.02 0.00 1.33 -0.23 0.00 0.00 178.00 180.57 2k6y n VAL 39 N -4.25 0.19 -4.03 1.56 0.24 -1.26 -4.37 118.33 106.41 2k6y n VAL 39 Ca -0.07 0.05 -0.10 0.00 -2.04 0.00 0.00 64.34 62.17 2k6y n VAL 39 Cb 0.56 -0.63 -0.03 0.00 -1.47 0.00 0.00 33.84 32.26 2k6y n VAL 39 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2k6y n ALA 40 N -1.26 0.13 0.10 2.33 0.00 -1.26 -3.84 120.51 116.71 2k6y n ALA 40 Ca 0.12 -1.09 0.00 0.00 0.00 0.00 0.00 53.44 52.47 2k6y n ALA 40 Cb 0.19 0.88 0.00 0.00 0.00 0.00 0.00 19.45 20.52 2k6y n ALA 40 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2k6y n GLU 41 N -0.37 0.00 -1.97 0.00 4.07 -0.36 -4.48 120.64 117.53 2k6y n GLU 41 Ca 0.03 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 56.71 2k6y n GLU 41 Cb 0.36 -0.16 -0.03 0.00 -0.06 0.00 0.00 31.44 31.55 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 -1.91 4.23 -0.14 5.31 0.52 -0.84 -4.87 118.95 121.25 2k6y s ARG 42 Ca 0.00 2.32 -0.04 0.00 -0.52 0.00 0.00 55.73 57.49 2k6y s ARG 42 Cb 0.00 -3.17 0.07 0.00 0.52 0.00 0.00 34.95 32.37 2k6y s ARG 42 CO 0.00 -0.58 0.24 0.54 0.02 0.00 0.00 175.30 175.51 2k6y s VAL 43 N 1.16 -0.37 -0.10 3.52 0.11 -1.26 -1.21 120.40 122.25 2k6y s VAL 43 Ca 0.69 0.18 -0.03 0.00 -2.93 0.00 0.00 61.98 59.90 2k6y s VAL 43 Cb -0.43 -0.49 0.04 0.00 -1.53 0.00 0.00 36.38 33.98 2k6y s VAL 43 CO 0.31 0.03 0.06 -1.61 -3.33 0.00 0.00 175.10 170.56 2k6y s GLU 44 N 2.38 0.15 -0.19 1.54 2.02 -0.42 -4.33 118.70 119.84 2k6y s GLU 44 Ca 0.03 0.10 -0.29 0.00 0.02 0.00 0.00 54.97 54.84 2k6y s GLU 44 Cb -0.13 -1.18 -0.00 0.00 0.10 0.00 0.00 34.13 32.91 2k6y s GLU 44 CO -0.09 -0.47 1.13 -1.17 0.02 0.00 0.00 175.26 174.68 2k6y s LEU 45 N 2.10 4.15 0.09 1.80 0.20 -1.26 -0.57 118.68 125.18 2k6y s LEU 45 Ca 0.03 1.53 0.04 0.00 0.69 0.00 0.00 54.13 56.42 2k6y s LEU 45 Cb -0.14 -3.54 -0.04 0.00 -0.43 0.00 0.00 46.19 42.04 2k6y s LEU 45 CO -0.06 -0.68 0.03 -1.00 -0.29 0.00 0.00 176.35 174.35 2k6y s HIS 46 N 3.17 3.07 0.79 5.38 3.76 0.23 -0.73 115.29 130.96 2k6y s HIS 46 Ca 0.49 0.01 -0.12 0.00 -0.15 0.00 0.00 55.06 55.29 2k6y s HIS 46 Cb -0.18 -1.57 0.07 0.00 1.11 0.00 0.00 32.58 32.00 2k6y s HIS 46 CO 0.11 0.50 1.16 -1.83 -0.85 0.00 0.00 174.74 173.82 2k6y s GLU 47 N -2.34 2.16 -0.38 1.40 -1.05 -0.09 -1.47 118.70 116.92 2k6y s GLU 47 Ca 0.27 0.21 0.03 0.00 -0.15 0.00 0.00 54.97 55.33 2k6y s GLU 47 Cb -0.12 -1.96 0.16 0.00 -0.44 0.00 0.00 34.13 31.76 2k6y s GLU 47 CO 0.20 -1.48 0.33 0.99 0.95 0.00 0.00 175.26 176.25 2k6y s THR 48 N -3.51 -0.02 0.23 1.83 2.01 0.26 -3.35 115.64 113.09 2k6y s THR 48 Ca 0.61 -1.72 -0.04 0.00 0.31 0.00 0.00 61.69 60.85 2k6y s THR 48 Cb -0.11 -0.95 -0.05 0.00 0.01 0.00 0.00 72.50 71.40 2k6y s THR 48 CO 0.50 -0.88 0.47 0.72 -0.69 0.00 0.00 174.62 174.74 2k6y s PHE 49 N 0.88 3.47 -0.01 4.92 -0.71 -0.28 -3.36 117.98 122.90 2k6y s PHE 49 Ca 0.23 0.55 -0.17 0.00 -1.04 0.00 0.00 56.93 56.50 2k6y s PHE 49 Cb -0.12 -2.02 -0.06 0.00 -1.21 0.00 0.00 43.02 39.62 2k6y s PHE 49 CO -0.06 0.29 0.47 1.41 -1.34 0.00 0.00 175.22 175.99 2k6y s MET 50 N -3.26 4.10 -0.21 1.99 -2.45 -1.26 -1.07 119.30 117.14 2k6y s MET 50 Ca 0.42 0.52 -0.08 0.00 -1.25 0.00 0.00 55.69 55.30 2k6y s MET 50 Cb -0.11 -3.28 0.09 0.00 1.25 0.00 0.00 34.83 32.78 2k6y s MET 50 CO 0.28 0.55 0.46 0.50 1.05 0.00 0.00 175.02 177.87 2k6y s ARG 51 N -0.69 0.39 0.17 4.11 3.52 -0.95 -4.96 118.95 120.55 2k6y s ARG 51 Ca 0.26 1.05 0.02 0.00 -0.13 0.00 0.00 55.73 56.93 2k6y s ARG 51 Cb -0.17 0.31 -0.04 0.00 -1.56 0.00 0.00 34.95 33.50 2k6y s ARG 51 CO 0.14 -0.22 0.32 -1.21 -0.81 0.00 0.00 175.30 173.53 2k6y s GLU 52 N 2.33 3.46 -0.26 5.12 8.01 -1.26 -1.84 118.70 134.26 2k6y s GLU 52 Ca -0.04 -0.54 -0.13 0.00 0.01 0.00 0.00 54.97 54.26 2k6y s GLU 52 Cb -0.11 -2.92 0.09 0.00 -4.31 0.00 0.00 34.13 26.88 2k6y s GLU 52 CO -0.14 0.48 0.63 0.54 0.01 0.00 0.00 175.26 176.77 2k6y s VAL 53 N -1.80 -0.23 -1.83 2.63 0.11 -0.37 -4.87 120.40 114.04 2k6y s VAL 53 Ca 0.36 0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.43 2k6y s VAL 53 Cb -0.11 -0.93 0.00 0.00 -1.53 0.00 0.00 36.38 33.82 2k6y s VAL 53 CO 0.29 0.01 0.00 1.21 -3.33 0.00 0.00 175.10 173.28 2k6y n GLU 54 N 4.58 -1.64 -0.86 1.54 0.00 -1.26 -0.80 120.64 122.20 2k6y n GLU 54 Ca -0.18 1.03 0.00 0.00 0.00 0.00 0.00 57.16 58.00 2k6y n GLU 54 Cb 0.56 -5.58 0.00 0.00 0.00 0.00 0.00 31.44 26.42 2k6y n GLU 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2k6y n GLY 55 N -0.76 0.63 3.85 8.31 0.00 -1.26 -5.01 105.19 110.95 2k6y n GLY 55 Ca -0.22 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.37 3.88 -0.08 1.61 -0.14 0.02 -5.06 119.74 119.59 2k6y s LYS 56 Ca 0.00 0.34 -0.22 0.00 -1.36 0.00 0.00 55.97 54.74 2k6y s LYS 56 Cb 0.00 -3.07 -0.04 0.00 -1.68 0.00 0.00 37.83 33.05 2k6y s LYS 56 CO 0.00 0.59 0.63 0.21 -0.76 0.00 0.00 175.35 176.02 2k6y s LYS 57 N -1.61 4.40 0.22 1.68 2.47 -1.26 -1.24 119.74 124.40 2k6y s LYS 57 Ca 0.31 0.74 -0.08 0.00 -1.56 0.00 0.00 55.97 55.38 2k6y s LYS 57 Cb -0.15 -3.44 -0.02 0.00 -1.46 0.00 0.00 37.83 32.76 2k6y s LYS 57 CO 0.17 0.11 0.33 0.08 0.16 0.00 0.00 175.35 176.19 2k6y s VAL 58 N 0.70 0.01 0.09 4.02 1.01 -0.76 -4.99 120.40 120.48 2k6y s VAL 58 Ca 0.34 -1.62 0.01 0.00 0.00 0.00 0.00 61.98 60.70 2k6y s VAL 58 Cb -0.17 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 2k6y s VAL 58 CO 0.16 -0.03 -0.04 -0.32 0.00 0.00 0.00 175.10 174.87 2k6y s MET 59 N -4.06 0.80 0.25 2.72 1.75 -1.26 -2.24 119.30 117.25 2k6y s MET 59 Ca 0.28 -1.33 -0.16 0.00 -1.25 0.00 0.00 55.69 53.23 2k6y s MET 59 Cb 0.03 -0.03 0.01 0.00 2.84 0.00 0.00 34.83 37.67 2k6y s MET 59 CO 0.09 -0.08 0.57 0.20 -0.65 0.00 0.00 175.02 175.15 2k6y s GLY 60 N -3.02 0.24 -0.01 2.11 0.00 -0.23 -4.89 107.32 101.53 2k6y s GLY 60 Ca 0.13 -0.60 0.03 0.00 0.00 0.00 0.00 44.72 44.27 2k6y s GLY 60 CO -0.05 -0.40 -0.10 1.06 0.00 0.00 0.00 173.10 173.61 2k6y s MET 61 N -3.97 0.85 -0.11 2.90 -1.94 -1.26 -1.12 119.30 114.65 2k6y s MET 61 Ca 0.17 -0.36 -0.21 0.00 -1.71 0.00 0.00 55.69 53.58 2k6y s MET 61 Cb -0.03 -0.82 0.05 0.00 2.01 0.00 0.00 34.83 36.05 2k6y s MET 61 CO 0.07 0.21 0.51 1.03 -0.01 0.00 0.00 175.02 176.82 2k6y s ARG 62 N -0.19 0.74 0.42 2.03 0.52 -1.21 -5.02 118.95 116.25 2k6y s ARG 62 Ca 0.03 0.35 -0.25 0.00 -0.52 0.00 0.00 55.73 55.34 2k6y s ARG 62 Cb -0.05 0.35 -0.08 0.00 0.52 0.00 0.00 34.95 35.69 2k6y s ARG 62 CO -0.00 -0.17 1.30 -1.25 0.02 0.00 0.00 175.30 175.20 2k6y s PRO 63 N -0.55 3.87 0.20 3.54 0.04 -1.26 -0.91 135.00 139.93 2k6y s PRO 63 Ca -0.07 2.14 0.08 0.00 0.04 0.00 0.00 61.00 63.20 2k6y s PRO 63 Cb -0.03 -2.68 -0.04 0.00 0.04 0.00 0.00 34.50 31.78 2k6y s PRO 63 CO 0.04 -0.57 -0.03 0.14 0.04 0.00 0.00 177.00 176.62 2k6y s VAL 64 N -1.29 3.47 -0.50 -0.36 -7.23 0.09 -4.82 120.40 109.76 2k6y s VAL 64 Ca 0.59 -1.64 0.24 0.00 -1.81 0.00 0.00 61.98 59.35 2k6y s VAL 64 Cb -0.38 -2.77 0.25 0.00 0.56 0.00 0.00 36.38 34.04 2k6y s VAL 64 CO 0.48 -0.19 1.72 -0.81 -0.31 0.00 0.00 175.10 175.99 2k6y n PRO 65 N -0.30 0.20 -3.61 4.82 -0.04 -1.26 -4.71 135.00 130.10 2k6y n PRO 65 Ca -0.09 0.41 -0.02 0.00 -0.04 0.00 0.00 63.50 63.75 2k6y n PRO 65 Cb 0.56 -1.87 -0.02 0.00 -0.04 0.00 0.00 33.50 32.14 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 -3.30 -0.07 0.43 0.54 -0.12 -1.26 -4.81 117.98 109.39 2k6y s PHE 66 Ca 0.05 0.03 0.07 0.00 -0.05 0.00 0.00 56.93 57.03 2k6y s PHE 66 Cb 0.10 0.51 -0.02 0.00 -0.63 0.00 0.00 43.02 42.97 2k6y s PHE 66 CO 0.41 -0.13 0.32 -0.51 -0.05 0.00 0.00 175.22 175.25 2k6y s LEU 67 N -2.30 3.22 0.20 -1.99 1.43 0.02 -5.01 118.68 114.25 2k6y s LEU 67 Ca 0.11 -0.92 -0.17 0.00 -1.03 0.00 0.00 54.13 52.12 2k6y s LEU 67 Cb 0.01 -1.75 0.03 0.00 0.03 0.00 0.00 46.19 44.50 2k6y s LEU 67 CO -0.04 -0.68 0.53 -1.83 0.23 0.00 0.00 176.35 174.56 2k6y s GLU 68 N -4.08 1.40 -0.10 1.70 -1.05 -1.26 -0.38 118.70 114.93 2k6y s GLU 68 Ca 0.44 -0.89 -0.07 0.00 -0.15 0.00 0.00 54.97 54.30 2k6y s GLU 68 Cb -0.01 0.52 0.03 0.00 -0.44 0.00 0.00 34.13 34.24 2k6y s GLU 68 CO 0.25 -0.59 0.25 0.08 0.95 0.00 0.00 175.26 176.20 2k6y s VAL 69 N -3.88 -0.01 0.98 1.83 1.01 0.76 -4.95 120.40 116.14 2k6y s VAL 69 Ca 0.10 0.05 -0.12 0.00 0.00 0.00 0.00 61.98 62.01 2k6y s VAL 69 Cb -0.01 -0.37 0.18 0.00 0.00 0.00 0.00 36.38 36.18 2k6y s VAL 69 CO -0.02 0.02 1.10 -2.16 0.00 0.00 0.00 175.10 174.04 2k6y s PRO 70 N 0.55 0.55 0.47 2.72 0.04 -1.26 -0.93 135.00 137.13 2k6y s PRO 70 Ca -0.03 0.47 -0.24 0.00 0.04 0.00 0.00 61.00 61.23 2k6y s PRO 70 Cb -0.05 -1.76 -0.08 0.00 0.04 0.00 0.00 34.50 32.66 2k6y s PRO 70 CO -0.03 -2.64 1.29 -0.35 0.04 0.00 0.00 177.00 175.32 2k6y n PRO 71 N -4.10 1.86 -0.70 0.56 -0.04 -1.25 -2.92 135.00 128.40 2k6y n PRO 71 Ca 0.05 0.67 0.00 0.00 -0.04 0.00 0.00 63.50 64.18 2k6y n PRO 71 Cb 0.58 -2.45 0.00 0.00 -0.04 0.00 0.00 33.50 31.59 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 -0.30 -0.07 -2.67 0.54 4.76 -0.72 -4.94 118.16 114.75 2k6y n LYS 72 Ca 0.08 0.02 -0.43 0.00 -2.87 0.00 0.00 58.31 55.11 2k6y n LYS 72 Cb 0.42 -3.80 -0.02 0.00 -1.84 0.00 0.00 35.03 29.78 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 1.47 0.06 0.72 0.00 -1.04 -4.78 107.32 101.76 2k6y s GLY 73 Ca 0.00 -0.31 -0.29 0.00 0.00 0.00 0.00 44.72 44.12 2k6y s GLY 73 CO 0.00 2.25 0.92 -1.60 0.00 0.00 0.00 173.10 174.67 2k6y s ARG 74 N 3.87 4.62 -0.08 2.90 3.52 -1.26 -0.96 118.95 131.56 2k6y s ARG 74 Ca 0.44 1.36 -0.05 0.00 -0.13 0.00 0.00 55.73 57.35 2k6y s ARG 74 Cb -0.10 -3.40 0.03 0.00 -1.56 0.00 0.00 34.95 29.92 2k6y s ARG 74 CO 0.22 0.15 0.19 0.14 -0.81 0.00 0.00 175.30 175.18 2k6y s VAL 75 N 0.29 -0.03 -0.16 7.11 -7.23 0.32 -4.98 120.40 115.72 2k6y s VAL 75 Ca 0.46 0.10 0.00 0.00 -1.81 0.00 0.00 61.98 60.74 2k6y s VAL 75 Cb -0.22 -0.29 0.03 0.00 0.56 0.00 0.00 36.38 36.46 2k6y s VAL 75 CO 0.28 0.04 -0.12 -1.61 -0.31 0.00 0.00 175.10 173.38 2k6y s GLU 76 N 0.75 2.10 -1.06 4.82 2.02 -1.26 -1.09 118.70 124.98 2k6y s GLU 76 Ca -0.05 -0.62 -0.20 0.00 0.02 0.00 0.00 54.97 54.12 2k6y s GLU 76 Cb -0.07 -2.16 -0.08 0.00 0.10 0.00 0.00 34.13 31.93 2k6y s GLU 76 CO -0.04 -0.31 1.97 1.28 0.02 0.00 0.00 175.26 178.18 2k6y n LEU 77 N 4.76 4.60 -4.63 1.80 4.32 -0.57 -4.94 117.00 122.35 2k6y n LEU 77 Ca -0.16 -3.34 -0.48 0.00 -0.02 0.00 0.00 56.01 52.02 2k6y n LEU 77 Cb 0.49 -1.43 -0.05 0.00 -1.62 0.00 0.00 43.42 40.81 2k6y n LEU 77 CO 0.20 -0.27 1.60 2.29 -1.22 0.00 0.00 177.39 180.00 2k6y n LYS 78 N 7.21 1.98 0.23 3.23 2.85 -1.26 -4.52 118.16 127.88 2k6y n LYS 78 Ca 0.49 0.68 0.07 0.00 -1.05 0.00 0.00 58.31 58.50 2k6y n LYS 78 Cb 0.42 -2.71 0.58 0.00 -0.65 0.00 0.00 35.03 32.66 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 10.67 0.05 -2.03 -1.58 0.13 -1.92 -0.62 132.00 136.70 2k6y h PRO 79 Ca -0.44 -0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.66 2k6y h PRO 79 Cb 1.27 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 2k6y h PRO 79 CO 0.96 0.09 -0.04 0.41 -0.23 0.00 0.00 178.00 179.19 2k6y n GLY 80 N -1.36 2.27 0.95 1.56 0.00 -1.26 -3.91 105.19 103.44 2k6y n GLY 80 Ca -0.02 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 1.75 -0.36 3.29 -0.02 0.00 -0.43 -4.93 105.19 104.49 2k6y n GLY 81 Ca 0.06 0.04 -0.14 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.98 -0.32 0.23 1.61 2.02 -0.37 -0.57 117.35 117.97 2k6y s TYR 82 Ca 0.00 0.62 -0.18 0.00 -0.37 0.00 0.00 57.07 57.14 2k6y s TYR 82 Cb 0.00 0.15 0.02 0.00 -0.40 0.00 0.00 41.96 41.73 2k6y s TYR 82 CO 0.00 -0.36 0.58 -3.38 -1.57 0.00 0.00 175.55 170.82 2k6y s HIS 83 N -0.83 -0.06 -0.28 2.71 -3.43 -0.54 -3.62 115.29 109.24 2k6y s HIS 83 Ca -0.09 -0.32 -0.08 0.00 -0.80 0.00 0.00 55.06 53.77 2k6y s HIS 83 Cb -0.04 0.46 -0.02 0.00 -1.43 0.00 0.00 32.58 31.56 2k6y s HIS 83 CO 0.04 -1.04 0.10 -0.06 -2.00 0.00 0.00 174.74 171.78 2k6y s PHE 84 N -3.91 3.13 0.01 0.38 0.08 -0.88 -0.60 117.98 116.18 2k6y s PHE 84 Ca 0.12 -0.55 -0.25 0.00 0.12 0.00 0.00 56.93 56.37 2k6y s PHE 84 Cb -0.03 -2.28 -0.05 0.00 -0.57 0.00 0.00 43.02 40.10 2k6y s PHE 84 CO 0.03 -0.42 0.76 1.41 -0.10 0.00 0.00 175.22 176.90 2k6y s MET 85 N 1.60 4.48 -0.12 0.44 -2.45 0.26 -0.61 119.30 122.90 2k6y s MET 85 Ca 0.05 1.04 -0.01 0.00 -1.25 0.00 0.00 55.69 55.52 2k6y s MET 85 Cb -0.16 -3.39 -0.03 0.00 1.25 0.00 0.00 34.83 32.50 2k6y s MET 85 CO 0.04 0.20 -0.07 -0.51 1.05 0.00 0.00 175.02 175.74 2k6y s LEU 86 N 0.24 3.10 0.05 4.11 1.43 -0.08 -1.30 118.68 126.23 2k6y s LEU 86 Ca 0.39 -0.14 -0.04 0.00 -1.03 0.00 0.00 54.13 53.31 2k6y s LEU 86 Cb -0.20 -1.71 -0.02 0.00 0.03 0.00 0.00 46.19 44.29 2k6y s LEU 86 CO 0.22 0.23 0.06 -0.76 0.23 0.00 0.00 176.35 176.34 2k6y s LEU 87 N -0.04 2.00 0.00 1.79 1.43 -0.35 -1.00 118.68 122.50 2k6y s LEU 87 Ca -0.00 -0.75 0.00 0.00 -1.03 0.00 0.00 54.13 52.35 2k6y s LEU 87 Cb -0.13 0.53 0.00 0.00 0.03 0.00 0.00 46.19 46.62 2k6y s LEU 87 CO 0.03 -0.59 0.00 0.61 0.23 0.00 0.00 176.35 176.63 2k6y n GLY 88 N 0.34 2.32 3.49 -3.19 0.00 -1.26 -1.22 105.19 105.66 2k6y n GLY 88 Ca -0.16 -0.51 -0.18 0.00 0.00 0.00 0.00 46.02 45.17 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 -3.79 0.00 0.99 4.77 -1.26 -4.89 117.00 112.82 2k6y n LEU 89 Ca 0.00 -0.51 0.08 0.00 -0.03 0.00 0.00 56.01 55.54 2k6y n LEU 89 Cb 0.00 -2.23 0.43 0.00 -2.33 0.00 0.00 43.42 39.29 2k6y n LEU 89 CO 0.00 -0.28 0.68 2.29 -1.33 0.00 0.00 177.39 178.74 2k6y n LYS 90 N -1.94 0.40 -4.77 3.23 2.85 -1.25 -4.54 118.16 112.15 2k6y n LYS 90 Ca -0.17 0.04 -0.25 0.00 -1.05 0.00 0.00 58.31 56.88 2k6y n LYS 90 Cb 0.62 -1.50 -0.15 0.00 -0.65 0.00 0.00 35.03 33.35 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 -2.17 1.43 -0.03 -1.58 0.52 -1.26 -5.01 118.95 110.86 2k6y s ARG 91 Ca 0.20 -0.79 -0.30 0.00 -0.52 0.00 0.00 55.73 54.33 2k6y s ARG 91 Cb 0.10 -1.45 -0.05 0.00 0.52 0.00 0.00 34.95 34.07 2k6y s ARG 91 CO 0.19 0.39 1.39 -1.25 0.02 0.00 0.00 175.30 176.04 2k6y s PRO 92 N -0.79 4.27 0.17 3.54 0.04 -1.26 -4.93 135.00 136.04 2k6y s PRO 92 Ca 0.07 1.93 0.07 0.00 0.04 0.00 0.00 61.00 63.11 2k6y s PRO 92 Cb -0.08 -3.63 -0.04 0.00 0.04 0.00 0.00 34.50 30.79 2k6y s PRO 92 CO 0.00 -0.60 -0.15 -0.48 0.04 0.00 0.00 177.00 175.81 2k6y s LEU 93 N 2.66 2.49 -0.23 -3.56 2.34 -1.26 -5.14 118.68 115.97 2k6y s LEU 93 Ca 0.63 -0.93 -0.26 0.00 0.06 0.00 0.00 54.13 53.63 2k6y s LEU 93 Cb -0.30 -0.66 0.10 0.00 -0.56 0.00 0.00 46.19 44.77 2k6y s LEU 93 CO 0.25 -0.14 0.90 -0.75 -1.06 0.00 0.00 176.35 175.55 2k6y s LYS 94 N -3.21 0.67 0.05 1.48 2.47 -1.26 -4.86 119.74 115.08 2k6y s LYS 94 Ca 0.17 0.60 -0.34 0.00 -1.56 0.00 0.00 55.97 54.84 2k6y s LYS 94 Cb -0.03 0.32 -0.12 0.00 -1.46 0.00 0.00 37.83 36.54 2k6y s LYS 94 CO 0.05 -0.12 1.75 0.00 0.16 0.00 0.00 175.35 177.20 2k6y n ALA 95 N 1.96 1.28 0.00 3.13 0.00 -1.26 -1.51 120.51 124.10 2k6y n ALA 95 Ca -0.13 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.66 2k6y n ALA 95 Cb 0.56 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 17.55 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 3.98 1.54 3.91 0.00 0.00 -1.26 -5.03 105.19 108.33 2k6y n GLY 96 Ca 0.20 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.00 2k6y n GLY 96 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k6y s GLU 97 N -0.14 2.47 0.13 1.61 -1.05 -0.57 -5.07 118.70 116.08 2k6y s GLU 97 Ca 0.00 -1.62 0.06 0.00 -0.15 0.00 0.00 54.97 53.26 2k6y s GLU 97 Cb 0.00 -2.38 -0.04 0.00 -0.44 0.00 0.00 34.13 31.27 2k6y s GLU 97 CO 0.00 -0.36 -0.14 -1.21 0.95 0.00 0.00 175.26 174.50 2k6y s GLU 98 N -4.24 1.03 -0.25 -4.83 2.02 -1.26 -2.24 118.70 108.93 2k6y s GLU 98 Ca 0.48 -1.26 0.02 0.00 0.02 0.00 0.00 54.97 54.22 2k6y s GLU 98 Cb -0.04 -0.89 0.06 0.00 0.10 0.00 0.00 34.13 33.36 2k6y s GLU 98 CO 0.28 0.17 -0.10 0.08 0.02 0.00 0.00 175.26 175.71 2k6y s VAL 99 N -2.25 1.98 0.08 2.63 1.01 0.86 -4.93 120.40 119.77 2k6y s VAL 99 Ca 0.10 -1.47 -0.31 0.00 0.00 0.00 0.00 61.98 60.30 2k6y s VAL 99 Cb -0.04 -2.11 -0.07 0.00 0.00 0.00 0.00 36.38 34.16 2k6y s VAL 99 CO 0.03 -0.02 1.31 -1.61 0.00 0.00 0.00 175.10 174.82 2k6y s GLU 100 N 1.20 4.36 -0.01 2.72 2.02 -1.26 -1.10 118.70 126.63 2k6y s GLU 100 Ca -0.07 1.94 0.02 0.00 0.02 0.00 0.00 54.97 56.88 2k6y s GLU 100 Cb -0.19 -3.33 -0.01 0.00 0.10 0.00 0.00 34.13 30.71 2k6y s GLU 100 CO -0.06 -0.38 -0.07 -1.17 0.02 0.00 0.00 175.26 173.60 2k6y s LEU 101 N 1.24 2.01 -0.41 1.80 0.20 -0.14 -4.15 118.68 119.23 2k6y s LEU 101 Ca 0.62 -0.13 -0.07 0.00 0.69 0.00 0.00 54.13 55.25 2k6y s LEU 101 Cb -0.33 -0.36 0.09 0.00 -0.43 0.00 0.00 46.19 45.16 2k6y s LEU 101 CO 0.29 0.09 0.23 -1.81 -0.29 0.00 0.00 176.35 174.86 2k6y s ASP 102 N -0.17 5.46 -0.08 3.68 1.11 0.23 -0.58 116.67 126.33 2k6y s ASP 102 Ca 0.03 -1.68 -0.30 0.00 0.18 0.00 0.00 52.55 50.78 2k6y s ASP 102 Cb -0.03 -1.92 -0.02 0.00 1.07 0.00 0.00 42.92 42.02 2k6y s ASP 102 CO -0.00 -0.53 1.12 -0.76 1.18 0.00 0.00 175.17 176.17 2k6y s LEU 103 N 1.32 4.26 -0.13 1.23 1.43 0.10 -0.80 118.68 126.09 2k6y s LEU 103 Ca 0.04 1.69 -0.17 0.00 -1.03 0.00 0.00 54.13 54.66 2k6y s LEU 103 Cb -0.23 -3.56 -0.04 0.00 0.03 0.00 0.00 46.19 42.39 2k6y s LEU 103 CO -0.00 -0.53 0.42 -0.76 0.23 0.00 0.00 176.35 175.71 2k6y s LEU 104 N 2.16 4.26 -0.13 1.79 1.43 0.00 -1.68 118.68 126.52 2k6y s LEU 104 Ca 0.53 0.71 -0.00 0.00 -1.03 0.00 0.00 54.13 54.34 2k6y s LEU 104 Cb -0.22 -2.59 0.02 0.00 0.03 0.00 0.00 46.19 43.43 2k6y s LEU 104 CO 0.20 0.03 -0.10 -0.36 0.23 0.00 0.00 176.35 176.35 2k6y s PHE 105 N 0.61 1.73 -0.43 0.29 0.08 0.07 -0.24 117.98 120.08 2k6y s PHE 105 Ca 0.23 -0.91 0.00 0.00 0.12 0.00 0.00 56.93 56.37 2k6y s PHE 105 Cb -0.14 -1.36 0.00 0.00 -0.57 0.00 0.00 43.02 40.94 2k6y s PHE 105 CO 0.08 -0.57 0.00 0.00 -0.10 0.00 0.00 175.22 174.63 2k6y n ALA 106 N 4.88 -0.74 0.00 5.36 0.00 -0.67 -1.64 120.51 127.70 2k6y n ALA 106 Ca -0.14 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2k6y n ALA 106 Cb 0.50 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 19.11 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 -0.51 0.95 0.00 0.00 0.00 -1.26 -4.70 105.19 99.67 2k6y n GLY 107 Ca -0.05 -0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.93 2.99 -0.02 0.00 -1.01 -4.73 105.19 101.49 2k6y n GLY 108 Ca 0.00 -0.12 -0.09 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.00 0.33 -0.08 1.61 3.01 -0.65 -5.06 119.74 116.90 2k6y s LYS 109 Ca 0.28 -0.62 -0.06 0.00 -1.01 0.00 0.00 55.97 54.56 2k6y s LYS 109 Cb 0.13 0.12 0.03 0.00 -1.01 0.00 0.00 37.83 37.09 2k6y s LYS 109 CO 0.22 -0.05 0.20 0.54 0.51 0.00 0.00 175.35 176.76 2k6y s VAL 110 N -1.55 -0.01 -0.10 3.17 0.11 -1.26 -0.75 120.40 120.01 2k6y s VAL 110 Ca -0.15 0.05 -0.06 0.00 -2.93 0.00 0.00 61.98 58.89 2k6y s VAL 110 Cb -0.09 -0.29 0.04 0.00 -1.53 0.00 0.00 36.38 34.51 2k6y s VAL 110 CO -0.01 0.02 0.23 -0.76 -3.33 0.00 0.00 175.10 171.25 2k6y s LEU 111 N 0.44 0.63 0.22 2.54 1.43 -0.68 -4.95 118.68 118.31 2k6y s LEU 111 Ca -0.03 0.49 0.05 0.00 -1.03 0.00 0.00 54.13 53.61 2k6y s LEU 111 Cb -0.04 0.71 -0.03 0.00 0.03 0.00 0.00 46.19 46.85 2k6y s LEU 111 CO -0.02 -0.14 0.28 -1.59 0.23 0.00 0.00 176.35 175.11 2k6y s LYS 112 N 0.96 3.25 0.03 1.70 -2.85 -1.26 -0.72 119.74 120.85 2k6y s LYS 112 Ca -0.07 -0.82 0.02 0.00 -1.00 0.00 0.00 55.97 54.10 2k6y s LYS 112 Cb -0.08 -2.79 -0.02 0.00 -2.06 0.00 0.00 37.83 32.88 2k6y s LYS 112 CO -0.06 0.44 -0.07 0.14 0.10 0.00 0.00 175.35 175.91 2k6y s VAL 113 N -1.95 0.48 -0.13 1.79 -7.23 0.26 -4.95 120.40 108.67 2k6y s VAL 113 Ca 0.33 -0.83 -0.03 0.00 -1.81 0.00 0.00 61.98 59.64 2k6y s VAL 113 Cb -0.09 -0.52 -0.03 0.00 0.56 0.00 0.00 36.38 36.30 2k6y s VAL 113 CO 0.27 -0.25 -0.01 0.54 -0.31 0.00 0.00 175.10 175.34 2k6y s VAL 114 N -1.03 4.17 -0.02 1.32 0.11 -1.26 -0.97 120.40 122.71 2k6y s VAL 114 Ca -0.07 -0.27 -0.00 0.00 -2.93 0.00 0.00 61.98 58.70 2k6y s VAL 114 Cb -0.08 -2.80 0.03 0.00 -1.53 0.00 0.00 36.38 31.99 2k6y s VAL 114 CO 0.00 0.53 0.04 -0.76 -3.33 0.00 0.00 175.10 171.58 2k6y s LEU 115 N -0.10 1.15 0.58 2.54 1.43 -0.26 -4.84 118.68 119.19 2k6y s LEU 115 Ca 0.03 0.07 -0.18 0.00 -1.03 0.00 0.00 54.13 53.02 2k6y s LEU 115 Cb -0.13 -0.01 -0.04 0.00 0.03 0.00 0.00 46.19 46.05 2k6y s LEU 115 CO 0.02 -0.11 1.13 -2.16 0.23 0.00 0.00 176.35 175.46 2k6y s PRO 116 N 0.94 3.16 -0.11 1.29 0.04 -1.26 -0.10 135.00 138.97 2k6y s PRO 116 Ca -0.08 1.57 -0.28 0.00 0.04 0.00 0.00 61.00 62.25 2k6y s PRO 116 Cb -0.11 -1.98 -0.02 0.00 0.04 0.00 0.00 34.50 32.43 2k6y s PRO 116 CO -0.03 -1.00 0.94 0.08 0.04 0.00 0.00 177.00 177.04 2k6y s VAL 117 N -1.92 4.83 0.24 -0.36 1.01 -0.95 -1.31 120.40 121.95 2k6y s VAL 117 Ca 0.71 1.92 -0.13 0.00 0.00 0.00 0.00 61.98 64.47 2k6y s VAL 117 Cb -0.23 -4.26 -0.08 0.00 0.00 0.00 0.00 36.38 31.81 2k6y s VAL 117 CO 0.32 0.04 0.63 -0.70 0.00 0.00 0.00 175.10 175.39 2k6y s GLU 118 N 1.85 3.96 -0.10 2.72 2.12 0.03 -4.36 118.70 124.91 2k6y s GLU 118 Ca 0.46 0.52 0.04 0.00 0.36 0.00 0.00 54.97 56.34 2k6y s GLU 118 Cb -0.18 -2.66 0.00 0.00 0.26 0.00 0.00 34.13 31.55 2k6y s GLU 118 CO 0.18 0.31 -0.23 0.00 -0.54 0.00 0.00 175.26 174.97 2k6y s ALA 119 N -1.77 2.14 0.00 6.30 0.00 -1.26 -0.62 121.76 126.55 2k6y s ALA 119 Ca 0.47 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.47 2k6y s ALA 119 Cb -0.12 -0.81 0.00 0.00 0.00 0.00 0.00 23.12 22.18 2k6y s ALA 119 CO 0.19 0.26 0.00 -2.13 0.00 0.00 0.00 175.76 174.08