#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k6y h SER 2 N 0.00 0.11 -3.77 1.61 0.02 -2.04 -3.29 113.55 106.19 2k6y h SER 2 Ca 0.00 0.01 -0.68 0.00 -0.84 0.00 0.00 61.79 60.28 2k6y h SER 2 Cb 0.00 -0.01 -0.20 0.00 0.14 0.00 0.00 62.40 62.33 2k6y h SER 2 CO 0.00 0.05 -0.73 -0.36 -1.14 0.00 0.00 176.83 174.65 2k6y s PHE 3 N -5.12 2.81 -0.34 3.45 0.40 -1.26 -5.12 117.98 112.81 2k6y s PHE 3 Ca -0.06 -0.08 -0.18 0.00 -0.60 0.00 0.00 56.93 56.01 2k6y s PHE 3 Cb 0.21 -1.62 -0.01 0.00 0.51 0.00 0.00 43.02 42.11 2k6y s PHE 3 CO 0.76 0.30 0.49 0.95 0.70 0.00 0.00 175.22 178.42 2k6y s THR 4 N -0.88 5.04 -0.55 0.64 -4.23 -1.24 -5.03 115.64 109.40 2k6y s THR 4 Ca 0.14 0.35 -0.21 0.00 -1.18 0.00 0.00 61.69 60.79 2k6y s THR 4 Cb -0.11 -3.93 0.06 0.00 1.34 0.00 0.00 72.50 69.85 2k6y s THR 4 CO 0.04 -0.18 0.78 -0.70 -0.54 0.00 0.00 174.62 174.03 2k6y s GLU 5 N 2.34 3.19 0.00 3.99 2.12 -1.26 -4.80 118.70 124.27 2k6y s GLU 5 Ca 0.18 -0.70 0.00 0.00 0.36 0.00 0.00 54.97 54.81 2k6y s GLU 5 Cb -0.16 -4.11 0.00 0.00 0.26 0.00 0.00 34.13 30.12 2k6y s GLU 5 CO 0.13 -1.42 0.00 0.41 -0.54 0.00 0.00 175.26 173.84 2k6y n GLY 6 N 5.18 -1.31 3.50 -1.50 0.00 -1.26 -0.64 105.19 109.17 2k6y n GLY 6 Ca -0.04 -1.00 -0.09 0.00 0.00 0.00 0.00 46.02 44.89 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 -3.00 -0.39 -0.10 1.61 -2.14 -0.86 -4.27 118.94 109.80 2k6y s TRP 7 Ca 0.00 0.22 0.03 0.00 2.66 0.00 0.00 56.10 59.00 2k6y s TRP 7 Cb 0.00 0.55 -0.01 0.00 -3.10 0.00 0.00 33.47 30.91 2k6y s TRP 7 CO 0.00 -0.66 -0.18 0.08 -2.66 0.00 0.00 176.95 173.53 2k6y s VAL 8 N -3.32 2.64 -0.63 -0.66 1.01 -0.20 -2.12 120.40 117.12 2k6y s VAL 8 Ca 0.04 -0.83 -0.17 0.00 0.00 0.00 0.00 61.98 61.02 2k6y s VAL 8 Cb -0.01 -2.05 0.13 0.00 0.00 0.00 0.00 36.38 34.45 2k6y s VAL 8 CO -0.09 0.55 0.69 -0.60 0.00 0.00 0.00 175.10 175.64 2k6y s ARG 9 N 0.06 3.15 0.65 2.72 3.52 -0.07 -0.44 118.95 128.54 2k6y s ARG 9 Ca -0.07 -1.63 -0.17 0.00 -0.13 0.00 0.00 55.73 53.73 2k6y s ARG 9 Cb -0.15 -4.34 -0.01 0.00 -1.56 0.00 0.00 34.95 28.89 2k6y s ARG 9 CO 0.05 -1.46 1.18 0.12 -0.81 0.00 0.00 175.30 174.37 2k6y s PHE 10 N 2.02 2.36 -0.04 5.12 5.36 0.12 -2.95 117.98 129.97 2k6y s PHE 10 Ca 0.11 1.55 -0.23 0.00 -0.96 0.00 0.00 56.93 57.40 2k6y s PHE 10 Cb -0.22 -3.39 0.05 0.00 -0.34 0.00 0.00 43.02 39.11 2k6y s PHE 10 CO 0.02 -2.16 0.51 -1.12 -1.46 0.00 0.00 175.22 171.00 2k6y s SER 11 N -1.98 -0.44 0.00 6.13 0.01 -1.26 -4.41 113.70 111.74 2k6y s SER 11 Ca 0.74 0.44 0.00 0.00 1.31 0.00 0.00 55.95 58.43 2k6y s SER 11 Cb -0.27 0.45 0.00 0.00 0.21 0.00 0.00 66.02 66.41 2k6y s SER 11 CO 0.38 -0.53 0.59 -0.81 0.41 0.00 0.00 173.24 173.29 2k6y n PRO 12 N 1.11 0.77 0.00 12.44 -0.04 -1.26 -4.83 135.00 143.19 2k6y n PRO 12 Ca -0.20 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 2k6y n PRO 12 Cb 0.57 -1.24 0.00 0.00 -0.04 0.00 0.00 33.50 32.79 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 0.39 1.73 0.00 0.55 0.00 -1.26 -4.94 105.19 101.66 2k6y n GLY 13 Ca 0.00 -1.95 0.14 0.00 0.00 0.00 0.00 46.02 44.21 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 1.97 0.56 -3.81 1.61 -0.04 -1.26 -4.98 135.00 129.05 2k6y n PRO 14 Ca 0.00 0.02 -0.11 0.00 -0.04 0.00 0.00 63.50 63.37 2k6y n PRO 14 Cb 0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 2k6y n PRO 14 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2k6y n ASN 15 N -1.19 -1.82 -1.96 3.54 0.23 -1.26 -4.11 115.26 108.69 2k6y n ASN 15 Ca 0.16 -2.70 -0.04 0.00 -0.53 0.00 0.00 54.58 51.47 2k6y n ASN 15 Cb 0.18 3.15 0.01 0.00 -2.08 0.00 0.00 39.78 41.04 2k6y n ASN 15 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2k6y n ALA 16 N -0.68 -1.00 -2.92 -2.53 0.00 -0.46 -4.53 120.51 108.38 2k6y n ALA 16 Ca -0.15 -0.62 -0.11 0.00 0.00 0.00 0.00 53.44 52.56 2k6y n ALA 16 Cb 0.58 0.47 -0.11 0.00 0.00 0.00 0.00 19.45 20.39 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 -1.55 0.33 0.06 0.00 0.00 -1.15 -0.87 121.76 118.57 2k6y s ALA 17 Ca 0.09 -0.64 0.04 0.00 0.00 0.00 0.00 51.96 51.44 2k6y s ALA 17 Cb -0.02 0.09 -0.03 0.00 0.00 0.00 0.00 23.12 23.16 2k6y s ALA 17 CO 0.05 -0.09 -0.11 0.00 0.00 0.00 0.00 175.76 175.62 2k6y s ALA 18 N -1.35 0.87 0.06 0.00 0.00 -0.84 -0.89 121.76 119.61 2k6y s ALA 18 Ca -0.12 -0.90 -0.06 0.00 0.00 0.00 0.00 51.96 50.88 2k6y s ALA 18 Cb -0.10 -0.02 -0.01 0.00 0.00 0.00 0.00 23.12 22.99 2k6y s ALA 18 CO -0.00 0.06 0.12 0.71 0.00 0.00 0.00 175.76 176.65 2k6y s TYR 19 N -1.39 0.23 -0.02 0.00 2.02 -0.90 -1.92 117.35 115.37 2k6y s TYR 19 Ca -0.06 -0.63 -0.29 0.00 -0.37 0.00 0.00 57.07 55.73 2k6y s TYR 19 Cb -0.10 -0.15 0.10 0.00 -0.40 0.00 0.00 41.96 41.42 2k6y s TYR 19 CO 0.01 -0.45 0.91 -0.48 -1.57 0.00 0.00 175.55 173.97 2k6y s LEU 20 N -2.58 -0.36 0.36 -1.29 2.34 -1.26 -2.02 118.68 113.88 2k6y s LEU 20 Ca 0.01 0.02 -0.24 0.00 0.06 0.00 0.00 54.13 53.98 2k6y s LEU 20 Cb 0.03 1.99 -0.10 0.00 -0.56 0.00 0.00 46.19 47.55 2k6y s LEU 20 CO -0.08 -0.59 0.95 -0.89 -1.06 0.00 0.00 176.35 174.67 2k6y s THR 21 N -3.02 4.27 -0.05 5.48 2.01 0.19 -0.75 115.64 123.77 2k6y s THR 21 Ca 0.05 1.71 -0.04 0.00 0.31 0.00 0.00 61.69 63.72 2k6y s THR 21 Cb -0.01 -3.86 0.02 0.00 0.01 0.00 0.00 72.50 68.66 2k6y s THR 21 CO -0.08 -0.02 0.13 -0.22 -0.69 0.00 0.00 174.62 173.73 2k6y s LEU 22 N -2.46 1.28 0.01 4.42 1.98 -0.53 -4.47 118.68 118.91 2k6y s LEU 22 Ca 0.54 0.26 0.06 0.00 -2.89 0.00 0.00 54.13 52.11 2k6y s LEU 22 Cb -0.15 0.40 -0.03 0.00 0.66 0.00 0.00 46.19 47.07 2k6y s LEU 22 CO 0.20 -0.08 -0.18 -1.83 -1.89 0.00 0.00 176.35 172.57 2k6y s GLU 23 N 0.41 2.19 -0.41 1.98 1.03 -1.26 -0.90 118.70 121.73 2k6y s GLU 23 Ca -0.03 -0.90 -0.23 0.00 0.03 0.00 0.00 54.97 53.84 2k6y s GLU 23 Cb -0.04 -2.21 0.02 0.00 -0.80 0.00 0.00 34.13 31.09 2k6y s GLU 23 CO -0.02 0.56 0.78 1.21 -1.33 0.00 0.00 175.26 176.47 2k6y s ASN 24 N -1.13 6.47 0.07 0.83 3.84 -0.04 -4.76 114.94 120.22 2k6y s ASN 24 Ca 0.13 0.10 0.26 0.00 0.21 0.00 0.00 52.86 53.56 2k6y s ASN 24 Cb -0.10 -2.39 0.69 0.00 -0.55 0.00 0.00 41.25 38.90 2k6y s ASN 24 CO 0.03 -0.83 1.57 -0.81 -2.79 0.00 0.00 177.10 174.27 2k6y n PRO 25 N 6.59 0.12 -2.19 0.43 -0.04 -1.26 -1.60 135.00 137.06 2k6y n PRO 25 Ca 0.03 0.06 -0.29 0.00 -0.04 0.00 0.00 63.50 63.25 2k6y n PRO 25 Cb 0.48 -1.60 0.02 0.00 -0.04 0.00 0.00 33.50 32.36 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 -3.27 1.60 0.00 0.55 0.00 -1.26 -4.57 107.32 100.36 2k6y s GLY 26 Ca 0.10 -0.38 0.22 0.00 0.00 0.00 0.00 44.72 44.66 2k6y s GLY 26 CO 0.65 -0.11 1.52 1.22 0.00 0.00 0.00 173.10 176.37 2k6y n ASP 27 N -2.64 2.06 -4.53 1.64 9.92 -1.26 -1.94 116.55 119.80 2k6y n ASP 27 Ca 0.04 -1.76 -0.24 0.00 -0.53 0.00 0.00 54.79 52.30 2k6y n ASP 27 Cb 0.56 -0.12 -0.09 0.00 -0.64 0.00 0.00 41.12 40.82 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 -1.59 2.76 0.53 0.64 0.05 -1.26 -4.83 118.68 114.98 2k6y s LEU 28 Ca 0.34 -0.98 -0.16 0.00 0.05 0.00 0.00 54.13 53.37 2k6y s LEU 28 Cb 0.19 -1.22 -0.07 0.00 -2.05 0.00 0.00 46.19 43.03 2k6y s LEU 28 CO 0.28 -0.04 1.00 -2.16 -0.55 0.00 0.00 176.35 174.88 2k6y s PRO 29 N -3.58 3.83 -0.12 1.48 0.04 -1.26 -4.12 135.00 131.27 2k6y s PRO 29 Ca 0.31 1.01 0.03 0.00 0.04 0.00 0.00 61.00 62.39 2k6y s PRO 29 Cb -0.03 -2.12 0.01 0.00 0.04 0.00 0.00 34.50 32.39 2k6y s PRO 29 CO 0.17 -0.37 -0.22 -0.51 0.04 0.00 0.00 177.00 176.10 2k6y s LEU 30 N -4.14 2.06 -0.24 -3.56 1.02 -0.23 -4.96 118.68 108.63 2k6y s LEU 30 Ca 0.60 -0.56 0.01 0.00 0.02 0.00 0.00 54.13 54.19 2k6y s LEU 30 Cb -0.11 -1.39 0.04 0.00 0.02 0.00 0.00 46.19 44.75 2k6y s LEU 30 CO 0.32 0.11 -0.11 -0.60 0.02 0.00 0.00 176.35 176.10 2k6y s ARG 31 N 0.59 2.63 -0.41 1.70 3.52 -1.26 0.16 118.95 125.88 2k6y s ARG 31 Ca -0.13 -1.10 -0.15 0.00 -0.13 0.00 0.00 55.73 54.23 2k6y s ARG 31 Cb -0.17 -2.87 0.02 0.00 -1.56 0.00 0.00 34.95 30.38 2k6y s ARG 31 CO 0.04 -0.43 0.29 -1.17 -0.81 0.00 0.00 175.30 173.22 2k6y s LEU 32 N 1.23 5.08 -0.01 -0.88 2.96 0.39 -1.07 118.68 126.38 2k6y s LEU 32 Ca -0.02 -0.92 0.18 0.00 -0.22 0.00 0.00 54.13 53.14 2k6y s LEU 32 Cb -0.17 -2.15 -0.23 0.00 0.50 0.00 0.00 46.19 44.15 2k6y s LEU 32 CO -0.06 -0.45 0.62 1.33 -1.32 0.00 0.00 176.35 176.46 2k6y n VAL 33 N 5.14 0.00 -3.38 1.68 0.24 0.84 -1.00 118.33 121.85 2k6y n VAL 33 Ca -0.11 -0.21 0.00 0.00 -2.04 0.00 0.00 64.34 61.98 2k6y n VAL 33 Cb 0.47 0.66 0.00 0.00 -1.47 0.00 0.00 33.84 33.49 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 1.44 -0.58 1.50 7.63 0.00 -1.21 -4.66 105.19 109.30 2k6y n GLY 34 Ca 0.01 -0.80 -0.05 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.46 -3.33 4.61 0.00 -1.26 -0.70 120.51 119.37 2k6y n ALA 35 Ca 0.00 -0.60 -0.13 0.00 0.00 0.00 0.00 53.44 52.71 2k6y n ALA 35 Cb 0.00 0.48 -0.11 0.00 0.00 0.00 0.00 19.45 19.82 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 0.40 0.03 0.00 1.81 -0.50 -4.81 118.95 113.70 2k6y s ARG 36 Ca 0.09 0.53 -0.14 0.00 -1.72 0.00 0.00 55.73 54.49 2k6y s ARG 36 Cb -0.01 0.15 0.02 0.00 -0.45 0.00 0.00 34.95 34.66 2k6y s ARG 36 CO 0.07 -0.07 0.31 -0.08 -0.68 0.00 0.00 175.30 174.85 2k6y s THR 37 N 0.40 0.08 0.25 0.02 -1.32 -1.26 -0.60 115.64 113.21 2k6y s THR 37 Ca -0.02 -0.63 0.06 0.00 -1.21 0.00 0.00 61.69 59.89 2k6y s THR 37 Cb -0.04 -0.88 -0.03 0.00 -1.51 0.00 0.00 72.50 70.05 2k6y s THR 37 CO -0.02 -0.35 1.59 1.55 -2.21 0.00 0.00 174.62 175.19 2k6y h PRO 38 N 3.34 0.21 -0.35 7.08 0.13 -1.92 -3.36 132.00 137.13 2k6y h PRO 38 Ca -0.31 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2k6y h PRO 38 Cb 1.19 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2k6y h PRO 38 CO 0.45 0.72 0.00 1.33 -0.23 0.00 0.00 178.00 180.27 2k6y n VAL 39 N -3.89 0.45 -4.02 1.56 0.24 -1.26 -4.40 118.33 107.01 2k6y n VAL 39 Ca -0.02 -0.55 -0.11 0.00 -2.04 0.00 0.00 64.34 61.61 2k6y n VAL 39 Cb 0.59 0.48 -0.04 0.00 -1.47 0.00 0.00 33.84 33.40 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 -1.55 0.16 0.00 2.33 0.00 -1.26 -4.54 121.76 116.90 2k6y s ALA 40 Ca 0.33 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 51.15 2k6y s ALA 40 Cb 0.18 1.07 0.00 0.00 0.00 0.00 0.00 23.12 24.38 2k6y s ALA 40 CO 0.25 -0.83 0.00 -1.91 0.00 0.00 0.00 175.76 173.27 2k6y n GLU 41 N -0.47 0.00 -2.05 0.00 4.07 -0.41 -4.49 120.64 117.30 2k6y n GLU 41 Ca -0.01 0.00 -0.41 0.00 -0.06 0.00 0.00 57.16 56.67 2k6y n GLU 41 Cb 0.62 -0.03 -0.03 0.00 -0.06 0.00 0.00 31.44 31.94 2k6y n GLU 41 CO 0.00 0.00 0.00 0.50 -0.06 0.00 0.00 177.13 177.57 2k6y s ARG 42 N -0.57 4.29 -0.17 5.31 3.52 -1.14 -4.84 118.95 125.35 2k6y s ARG 42 Ca 0.00 2.25 -0.09 0.00 -0.13 0.00 0.00 55.73 57.76 2k6y s ARG 42 Cb 0.00 -3.14 0.06 0.00 -1.56 0.00 0.00 34.95 30.31 2k6y s ARG 42 CO 0.00 -0.41 0.40 0.54 -0.81 0.00 0.00 175.30 175.02 2k6y s VAL 43 N 0.23 -0.05 -0.05 7.11 0.11 -1.26 -1.06 120.40 125.42 2k6y s VAL 43 Ca 0.60 0.10 0.01 0.00 -2.93 0.00 0.00 61.98 59.76 2k6y s VAL 43 Cb -0.41 -0.60 0.02 0.00 -1.53 0.00 0.00 36.38 33.87 2k6y s VAL 43 CO 0.40 0.04 -0.04 -1.61 -3.33 0.00 0.00 175.10 170.56 2k6y s GLU 44 N 1.44 0.81 -0.27 1.54 2.02 -0.78 -4.43 118.70 119.02 2k6y s GLU 44 Ca -0.09 -0.07 -0.29 0.00 0.02 0.00 0.00 54.97 54.53 2k6y s GLU 44 Cb -0.09 -0.88 0.01 0.00 0.10 0.00 0.00 34.13 33.27 2k6y s GLU 44 CO -0.13 -0.12 1.12 -1.17 0.02 0.00 0.00 175.26 174.98 2k6y s LEU 45 N 1.11 4.00 0.15 1.80 0.20 -1.26 -1.06 118.68 123.62 2k6y s LEU 45 Ca -0.08 1.24 0.05 0.00 0.69 0.00 0.00 54.13 56.03 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 -0.01 -0.84 0.09 -1.00 -0.29 0.00 0.00 176.35 174.30 2k6y s HIS 46 N 3.62 3.07 0.59 5.38 3.76 0.05 -0.96 115.29 130.80 2k6y s HIS 46 Ca 0.48 -0.04 0.10 0.00 -0.15 0.00 0.00 55.06 55.45 2k6y s HIS 46 Cb -0.15 -1.49 0.09 0.00 1.11 0.00 0.00 32.58 32.14 2k6y s HIS 46 CO 0.14 0.52 0.79 -1.83 -0.85 0.00 0.00 174.74 173.50 2k6y s GLU 47 N -2.94 2.25 -0.34 1.40 -1.05 -0.09 -1.11 118.70 116.83 2k6y s GLU 47 Ca 0.30 -1.71 0.03 0.00 -0.15 0.00 0.00 54.97 53.43 2k6y s GLU 47 Cb -0.10 -2.60 0.16 0.00 -0.44 0.00 0.00 34.13 31.15 2k6y s GLU 47 CO 0.22 -0.90 0.39 0.99 0.95 0.00 0.00 175.26 176.91 2k6y s THR 48 N -2.71 -0.48 0.52 1.83 2.01 0.69 -3.38 115.64 114.13 2k6y s THR 48 Ca 0.60 -0.64 -0.02 0.00 0.31 0.00 0.00 61.69 61.94 2k6y s THR 48 Cb -0.05 -0.75 0.01 0.00 0.01 0.00 0.00 72.50 71.72 2k6y s THR 48 CO 0.38 -0.44 0.77 0.72 -0.69 0.00 0.00 174.62 175.37 2k6y s PHE 49 N 1.91 3.17 0.13 4.92 -0.12 -0.27 -3.78 117.98 123.94 2k6y s PHE 49 Ca 0.14 0.34 -0.00 0.00 -0.05 0.00 0.00 56.93 57.35 2k6y s PHE 49 Cb -0.13 -2.54 -0.04 0.00 -0.63 0.00 0.00 43.02 39.67 2k6y s PHE 49 CO -0.16 -0.62 0.30 -1.64 -0.05 0.00 0.00 175.22 173.05 2k6y s MET 50 N -4.75 3.49 -0.17 1.99 -1.94 -1.26 -1.97 119.30 114.69 2k6y s MET 50 Ca 0.52 -0.40 -0.10 0.00 -1.71 0.00 0.00 55.69 53.99 2k6y s MET 50 Cb -0.10 -2.94 0.06 0.00 2.01 0.00 0.00 34.83 33.85 2k6y s MET 50 CO 0.41 0.51 0.42 0.50 -0.01 0.00 0.00 175.02 176.84 2k6y s ARG 51 N -2.93 0.42 -0.03 2.03 3.52 0.17 -4.92 118.95 117.20 2k6y s ARG 51 Ca 0.37 0.75 -0.02 0.00 -0.13 0.00 0.00 55.73 56.70 2k6y s ARG 51 Cb -0.12 0.03 -0.04 0.00 -1.56 0.00 0.00 34.95 33.26 2k6y s ARG 51 CO 0.28 -0.14 0.09 -1.21 -0.81 0.00 0.00 175.30 173.51 2k6y s GLU 52 N 1.17 3.14 -0.17 5.12 8.01 -1.26 -0.55 118.70 134.16 2k6y s GLU 52 Ca -0.08 -0.42 -0.07 0.00 0.01 0.00 0.00 54.97 54.42 2k6y s GLU 52 Cb -0.07 -2.91 0.07 0.00 -4.31 0.00 0.00 34.13 26.91 2k6y s GLU 52 CO -0.10 0.67 0.36 0.08 0.01 0.00 0.00 175.26 176.28 2k6y s VAL 53 N -1.15 -0.41 -1.70 2.63 1.01 -0.31 -4.85 120.40 115.63 2k6y s VAL 53 Ca 0.21 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.37 2k6y s VAL 53 Cb -0.12 -0.57 0.00 0.00 0.00 0.00 0.00 36.38 35.69 2k6y s VAL 53 CO 0.12 0.08 0.00 1.21 0.00 0.00 0.00 175.10 176.50 2k6y n GLU 54 N 5.06 -1.75 -0.29 2.72 0.00 -1.26 -1.18 120.64 123.94 2k6y n GLU 54 Ca -0.12 0.96 0.00 0.00 0.00 0.00 0.00 57.16 58.00 2k6y n GLU 54 Cb 0.51 -5.61 0.00 0.00 0.00 0.00 0.00 31.44 26.34 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 -0.97 1.56 3.78 8.31 0.00 -1.26 -5.00 105.19 111.61 2k6y n GLY 55 Ca -0.23 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.11 4.50 0.19 1.61 -0.14 -0.33 -5.04 119.74 120.42 2k6y s LYS 56 Ca 0.00 1.07 -0.21 0.00 -1.36 0.00 0.00 55.97 55.47 2k6y s LYS 56 Cb 0.00 -3.28 -0.08 0.00 -1.68 0.00 0.00 37.83 32.79 2k6y s LYS 56 CO 0.00 0.53 0.72 0.15 -0.76 0.00 0.00 175.35 175.98 2k6y s LYS 57 N -0.93 4.32 0.08 1.68 1.02 -1.26 -1.16 119.74 123.49 2k6y s LYS 57 Ca 0.35 0.92 -0.08 0.00 0.02 0.00 0.00 55.97 57.18 2k6y s LYS 57 Cb -0.22 -3.01 -0.01 0.00 -0.52 0.00 0.00 37.83 34.07 2k6y s LYS 57 CO 0.24 0.46 0.16 0.54 -0.92 0.00 0.00 175.35 175.84 2k6y s VAL 58 N -1.39 0.15 0.35 3.17 0.11 0.29 -4.98 120.40 118.10 2k6y s VAL 58 Ca 0.40 -1.25 0.07 0.00 -2.93 0.00 0.00 61.98 58.27 2k6y s VAL 58 Cb -0.18 -1.33 -0.01 0.00 -1.53 0.00 0.00 36.38 33.32 2k6y s VAL 58 CO 0.22 -0.69 0.41 -0.04 -3.33 0.00 0.00 175.10 171.66 2k6y s MET 59 N -3.77 2.89 0.33 1.54 -1.94 -1.26 -0.66 119.30 116.43 2k6y s MET 59 Ca 0.04 -1.19 -0.15 0.00 -1.71 0.00 0.00 55.69 52.68 2k6y s MET 59 Cb 0.05 -2.65 0.03 0.00 2.01 0.00 0.00 34.83 34.27 2k6y s MET 59 CO -0.10 0.02 0.69 0.20 -0.01 0.00 0.00 175.02 175.81 2k6y s GLY 60 N -4.12 0.38 0.13 -0.03 0.00 -0.83 -4.90 107.32 97.94 2k6y s GLY 60 Ca 0.45 -0.72 0.03 0.00 0.00 0.00 0.00 44.72 44.48 2k6y s GLY 60 CO 0.29 -0.36 -0.09 1.06 0.00 0.00 0.00 173.10 174.00 2k6y s MET 61 N -3.15 0.96 -0.26 2.90 -1.94 -1.26 -1.12 119.30 115.44 2k6y s MET 61 Ca 0.17 -1.40 -0.30 0.00 -1.71 0.00 0.00 55.69 52.45 2k6y s MET 61 Cb -0.04 -0.45 0.18 0.00 2.01 0.00 0.00 34.83 36.53 2k6y s MET 61 CO 0.11 0.04 1.28 -0.98 -0.01 0.00 0.00 175.02 175.46 2k6y s ARG 62 N -3.77 0.17 0.55 2.03 1.70 -1.22 -5.01 118.95 113.40 2k6y s ARG 62 Ca 0.14 0.03 -0.20 0.00 -0.47 0.00 0.00 55.73 55.24 2k6y s ARG 62 Cb 0.04 0.08 -0.06 0.00 -0.57 0.00 0.00 34.95 34.44 2k6y s ARG 62 CO -0.02 -0.06 1.15 -1.25 -1.08 0.00 0.00 175.30 174.04 2k6y s PRO 63 N -1.18 3.32 0.23 3.89 0.04 -1.26 -0.91 135.00 139.13 2k6y s PRO 63 Ca 0.07 1.66 0.09 0.00 0.04 0.00 0.00 61.00 62.87 2k6y s PRO 63 Cb -0.01 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 2k6y s PRO 63 CO -0.06 -0.89 -0.03 0.14 0.04 0.00 0.00 177.00 176.20 2k6y s VAL 64 N -1.72 3.39 0.30 -0.36 -7.23 -0.14 -4.84 120.40 109.80 2k6y s VAL 64 Ca 0.73 -1.80 0.37 0.00 -1.81 0.00 0.00 61.98 59.48 2k6y s VAL 64 Cb -0.25 -2.76 0.41 0.00 0.56 0.00 0.00 36.38 34.33 2k6y s VAL 64 CO 0.29 -0.27 2.12 1.55 -0.31 0.00 0.00 175.10 178.47 2k6y h PRO 65 N 2.27 0.00 -1.04 4.82 0.13 -1.94 -3.44 132.00 132.80 2k6y h PRO 65 Ca -0.45 0.00 0.34 0.00 -0.87 0.00 0.00 66.00 65.02 2k6y h PRO 65 Cb 1.23 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.16 2k6y h PRO 65 CO 0.58 0.00 0.98 -0.59 -0.23 0.00 0.00 178.00 178.75 2k6y s PHE 66 N -3.84 -0.01 0.40 1.56 -0.12 -1.26 -4.77 117.98 109.93 2k6y s PHE 66 Ca -0.01 0.01 0.08 0.00 -0.05 0.00 0.00 56.93 56.95 2k6y s PHE 66 Cb 0.10 0.50 -0.01 0.00 -0.63 0.00 0.00 43.02 42.98 2k6y s PHE 66 CO 0.50 -0.02 0.43 -0.51 -0.05 0.00 0.00 175.22 175.58 2k6y s LEU 67 N -2.14 3.56 0.17 -1.99 1.43 -0.17 -5.01 118.68 114.54 2k6y s LEU 67 Ca 0.12 -0.56 -0.13 0.00 -1.03 0.00 0.00 54.13 52.53 2k6y s LEU 67 Cb 0.00 -2.33 0.01 0.00 0.03 0.00 0.00 46.19 43.90 2k6y s LEU 67 CO -0.03 -0.62 0.39 -1.83 0.23 0.00 0.00 176.35 174.49 2k6y s GLU 68 N -4.18 1.24 -0.03 1.70 -1.05 -1.26 -0.46 118.70 114.66 2k6y s GLU 68 Ca 0.49 -1.01 -0.01 0.00 -0.15 0.00 0.00 54.97 54.30 2k6y s GLU 68 Cb -0.06 0.44 0.03 0.00 -0.44 0.00 0.00 34.13 34.10 2k6y s GLU 68 CO 0.30 -0.49 0.05 0.08 0.95 0.00 0.00 175.26 176.14 2k6y s VAL 69 N -3.91 -0.06 0.80 1.83 1.01 0.12 -4.97 120.40 115.22 2k6y s VAL 69 Ca 0.12 0.22 -0.11 0.00 0.00 0.00 0.00 61.98 62.22 2k6y s VAL 69 Cb 0.01 -0.11 0.07 0.00 0.00 0.00 0.00 36.38 36.36 2k6y s VAL 69 CO -0.02 0.09 1.09 -2.16 0.00 0.00 0.00 175.10 174.10 2k6y s PRO 70 N 1.15 2.03 0.39 2.72 0.04 -1.26 -1.07 135.00 139.00 2k6y s PRO 70 Ca -0.08 1.00 -0.27 0.00 0.04 0.00 0.00 61.00 61.69 2k6y s PRO 70 Cb -0.13 -1.88 -0.11 0.00 0.04 0.00 0.00 34.50 32.42 2k6y s PRO 70 CO -0.03 -1.75 1.45 -0.35 0.04 0.00 0.00 177.00 176.35 2k6y n PRO 71 N -3.58 2.49 -0.47 0.56 -0.04 -1.26 -2.15 135.00 130.56 2k6y n PRO 71 Ca 0.08 0.88 0.00 0.00 -0.04 0.00 0.00 63.50 64.42 2k6y n PRO 71 Cb 0.54 -2.61 0.00 0.00 -0.04 0.00 0.00 33.50 31.39 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 0.29 0.00 -2.71 0.54 4.76 -0.63 -4.95 118.16 115.47 2k6y n LYS 72 Ca 0.03 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 55.04 2k6y n LYS 72 Cb 0.39 -3.48 -0.02 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 1.71 0.14 0.72 0.00 -0.91 -4.78 107.32 102.20 2k6y s GLY 73 Ca 0.00 0.10 -0.28 0.00 0.00 0.00 0.00 44.72 44.54 2k6y s GLY 73 CO 0.00 2.11 0.88 -1.60 0.00 0.00 0.00 173.10 174.49 2k6y s ARG 74 N 3.14 4.67 -0.08 2.90 3.52 -1.26 -0.86 118.95 130.99 2k6y s ARG 74 Ca 0.42 1.33 -0.16 0.00 -0.13 0.00 0.00 55.73 57.19 2k6y s ARG 74 Cb -0.15 -3.33 0.03 0.00 -1.56 0.00 0.00 34.95 29.95 2k6y s ARG 74 CO 0.07 0.37 0.38 0.14 -0.81 0.00 0.00 175.30 175.44 2k6y s VAL 75 N -0.52 0.03 -0.11 7.11 -7.23 -0.08 -4.97 120.40 114.63 2k6y s VAL 75 Ca 0.42 -0.22 -0.05 0.00 -1.81 0.00 0.00 61.98 60.31 2k6y s VAL 75 Cb -0.23 -0.62 -0.04 0.00 0.56 0.00 0.00 36.38 36.05 2k6y s VAL 75 CO 0.28 -0.12 0.07 -1.61 -0.31 0.00 0.00 175.10 173.41 2k6y s GLU 76 N -0.63 3.27 -0.66 4.82 8.01 -1.26 -1.45 118.70 130.80 2k6y s GLU 76 Ca -0.07 -0.27 -0.07 0.00 0.01 0.00 0.00 54.97 54.57 2k6y s GLU 76 Cb -0.04 -3.01 -0.15 0.00 -4.31 0.00 0.00 34.13 26.62 2k6y s GLU 76 CO 0.03 0.71 2.84 1.28 0.01 0.00 0.00 175.26 180.13 2k6y n LEU 77 N 2.16 5.73 -4.59 1.80 4.32 0.07 -4.77 117.00 121.72 2k6y n LEU 77 Ca -0.19 -3.22 -0.49 0.00 -0.02 0.00 0.00 56.01 52.09 2k6y n LEU 77 Cb 0.54 -1.26 -0.05 0.00 -1.62 0.00 0.00 43.42 41.02 2k6y n LEU 77 CO 0.30 1.39 1.65 2.29 -1.22 0.00 0.00 177.39 181.80 2k6y n LYS 78 N 3.21 1.72 0.22 3.23 2.85 -1.23 -4.23 118.16 123.92 2k6y n LYS 78 Ca 0.50 0.56 0.13 0.00 -1.05 0.00 0.00 58.31 58.45 2k6y n LYS 78 Cb 0.47 -2.66 0.74 0.00 -0.65 0.00 0.00 35.03 32.93 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 11.20 0.00 -1.73 -1.58 0.13 -1.90 0.26 132.00 138.37 2k6y h PRO 79 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 2k6y h PRO 79 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2k6y h PRO 79 CO 0.97 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 179.15 2k6y n GLY 80 N -1.48 1.73 0.73 1.56 0.00 -1.26 -3.90 105.19 102.56 2k6y n GLY 80 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 1.27 -0.25 3.38 -0.02 0.00 -0.07 -4.91 105.19 104.58 2k6y n GLY 81 Ca 0.00 0.02 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.82 -0.47 0.19 1.61 2.02 -0.32 -0.22 117.35 118.34 2k6y s TYR 82 Ca 0.00 0.99 -0.24 0.00 -0.37 0.00 0.00 57.07 57.45 2k6y s TYR 82 Cb 0.00 0.21 0.06 0.00 -0.40 0.00 0.00 41.96 41.83 2k6y s TYR 82 CO 0.00 -0.38 0.93 -3.38 -1.57 0.00 0.00 175.55 171.15 2k6y s HIS 83 N -0.52 -0.09 -0.14 2.71 -3.43 -0.27 -3.20 115.29 110.35 2k6y s HIS 83 Ca -0.06 -0.27 -0.06 0.00 -0.80 0.00 0.00 55.06 53.86 2k6y s HIS 83 Cb -0.03 0.67 -0.04 0.00 -1.43 0.00 0.00 32.58 31.75 2k6y s HIS 83 CO 0.04 -0.94 0.07 -0.06 -2.00 0.00 0.00 174.74 171.85 2k6y s PHE 84 N -3.14 3.33 -0.06 0.38 0.08 -0.81 -0.77 117.98 116.99 2k6y s PHE 84 Ca 0.14 0.24 -0.16 0.00 0.12 0.00 0.00 56.93 57.26 2k6y s PHE 84 Cb -0.02 -1.97 -0.05 0.00 -0.57 0.00 0.00 43.02 40.40 2k6y s PHE 84 CO 0.04 0.39 0.43 -1.64 -0.10 0.00 0.00 175.22 174.35 2k6y s MET 85 N -0.31 4.15 -0.28 0.44 -1.94 -0.22 -1.99 119.30 119.14 2k6y s MET 85 Ca 0.09 0.41 -0.06 0.00 -1.71 0.00 0.00 55.69 54.43 2k6y s MET 85 Cb -0.12 -3.33 0.01 0.00 2.01 0.00 0.00 34.83 33.40 2k6y s MET 85 CO 0.02 0.42 0.05 -0.51 -0.01 0.00 0.00 175.02 174.98 2k6y s LEU 86 N -0.20 3.70 0.21 -0.03 1.43 -0.05 -1.87 118.68 121.87 2k6y s LEU 86 Ca 0.24 -0.74 0.11 0.00 -1.03 0.00 0.00 54.13 52.72 2k6y s LEU 86 Cb -0.16 -1.83 -0.04 0.00 0.03 0.00 0.00 46.19 44.18 2k6y s LEU 86 CO 0.11 -0.17 -0.20 -0.76 0.23 0.00 0.00 176.35 175.56 2k6y s LEU 87 N 1.46 2.58 0.00 1.79 2.01 -0.23 -1.36 118.68 124.94 2k6y s LEU 87 Ca 0.02 -0.84 0.00 0.00 0.01 0.00 0.00 54.13 53.32 2k6y s LEU 87 Cb -0.17 -1.26 0.00 0.00 0.01 0.00 0.00 46.19 44.77 2k6y s LEU 87 CO 0.01 0.10 0.00 0.61 1.01 0.00 0.00 176.35 178.08 2k6y n GLY 88 N 0.03 1.83 3.33 -3.19 0.00 -1.26 -1.29 105.19 104.63 2k6y n GLY 88 Ca -0.11 -0.32 -0.18 0.00 0.00 0.00 0.00 46.02 45.41 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 -4.66 0.00 0.99 4.77 -1.26 -4.83 117.00 112.01 2k6y n LEU 89 Ca 0.00 -0.21 0.08 0.00 -0.03 0.00 0.00 56.01 55.85 2k6y n LEU 89 Cb 0.00 -2.46 0.50 0.00 -2.33 0.00 0.00 43.42 39.14 2k6y n LEU 89 CO 0.00 -0.71 0.82 2.29 -1.33 0.00 0.00 177.39 178.46 2k6y n LYS 90 N -1.31 0.99 -3.58 3.23 2.85 -1.26 -4.80 118.16 114.28 2k6y n LYS 90 Ca -0.09 0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 57.06 2k6y n LYS 90 Cb 0.59 -1.27 -0.04 0.00 -0.65 0.00 0.00 35.03 33.66 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 1.10 0.19 -1.58 1.81 -1.26 -5.03 118.95 112.18 2k6y s ARG 91 Ca 0.25 -0.57 0.24 0.00 -1.72 0.00 0.00 55.73 53.94 2k6y s ARG 91 Cb 0.12 0.49 0.91 0.00 -0.45 0.00 0.00 34.95 36.02 2k6y s ARG 91 CO 0.20 -0.44 1.74 -0.35 -0.68 0.00 0.00 175.30 175.77 2k6y n PRO 92 N -0.13 0.18 -0.27 3.54 -0.04 -1.26 -4.86 135.00 132.16 2k6y n PRO 92 Ca -0.17 0.28 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 2k6y n PRO 92 Cb 0.63 -1.77 0.00 0.00 -0.04 0.00 0.00 33.50 32.32 2k6y n PRO 92 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2k6y n LEU 93 N -2.10 0.50 -4.32 1.53 4.32 -1.26 -4.61 117.00 111.06 2k6y n LEU 93 Ca 0.04 0.00 -0.39 0.00 -0.02 0.00 0.00 56.01 55.64 2k6y n LEU 93 Cb 0.32 -0.98 0.02 0.00 -1.62 0.00 0.00 43.42 41.15 2k6y n LEU 93 CO 0.24 -0.25 -0.42 1.17 -1.22 0.00 0.00 177.39 176.92 2k6y n LYS 94 N -2.00 0.15 -1.66 3.23 0.00 -1.26 -4.64 118.16 111.98 2k6y n LYS 94 Ca 0.00 0.06 -0.48 0.00 0.00 0.00 0.00 58.31 57.89 2k6y n LYS 94 Cb 0.00 -1.20 -0.05 0.00 0.00 0.00 0.00 35.03 33.78 2k6y n LYS 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2k6y n ALA 95 N -1.50 0.77 -2.01 3.14 0.00 -1.26 -0.63 120.51 119.02 2k6y n ALA 95 Ca 0.09 0.40 -0.00 0.00 0.00 0.00 0.00 53.44 53.93 2k6y n ALA 95 Cb 0.46 -2.35 -0.00 0.00 0.00 0.00 0.00 19.45 17.57 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 3.64 0.36 2.69 0.00 0.00 -1.26 -5.09 105.19 105.54 2k6y n GLY 96 Ca 0.20 -0.88 -0.15 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.02 0.38 -4.11 1.61 -0.58 0.20 -5.15 120.64 111.97 2k6y n GLU 97 Ca -0.00 -2.01 -0.11 0.00 -0.42 0.00 0.00 57.16 54.62 2k6y n GLU 97 Cb 0.50 -0.33 -0.11 0.00 -0.57 0.00 0.00 31.44 30.93 2k6y n GLU 97 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2k6y s GLU 98 N -4.07 0.67 -0.52 3.49 0.41 -1.26 -4.40 118.70 113.01 2k6y s GLU 98 Ca 0.44 -1.04 -0.00 0.00 -0.41 0.00 0.00 54.97 53.96 2k6y s GLU 98 Cb -0.03 -0.22 0.14 0.00 -1.78 0.00 0.00 34.13 32.24 2k6y s GLU 98 CO 0.29 0.01 0.30 0.08 -0.49 0.00 0.00 175.26 175.45 2k6y s VAL 99 N -2.54 3.17 0.08 2.63 1.01 -1.07 -4.85 120.40 118.82 2k6y s VAL 99 Ca 0.01 -2.83 -0.31 0.00 0.00 0.00 0.00 61.98 58.85 2k6y s VAL 99 Cb -0.02 -3.14 -0.09 0.00 0.00 0.00 0.00 36.38 33.13 2k6y s VAL 99 CO -0.03 -0.79 1.86 -1.61 0.00 0.00 0.00 175.10 174.53 2k6y s GLU 100 N 0.20 4.15 -0.18 2.72 2.02 -1.26 -1.57 118.70 124.78 2k6y s GLU 100 Ca 0.15 2.56 -0.01 0.00 0.02 0.00 0.00 54.97 57.69 2k6y s GLU 100 Cb -0.22 -3.82 0.04 0.00 0.10 0.00 0.00 34.13 30.24 2k6y s GLU 100 CO -0.03 -0.87 -0.05 -0.51 0.02 0.00 0.00 175.26 173.82 2k6y s LEU 101 N 3.41 1.69 -0.94 1.80 1.43 -0.51 -3.95 118.68 121.61 2k6y s LEU 101 Ca 0.83 -0.73 -0.18 0.00 -1.03 0.00 0.00 54.13 53.01 2k6y s LEU 101 Cb -0.44 -0.92 0.14 0.00 0.03 0.00 0.00 46.19 45.00 2k6y s LEU 101 CO 0.38 -0.20 1.13 -1.81 0.23 0.00 0.00 176.35 176.08 2k6y s ASP 102 N 1.62 6.67 -0.04 2.29 1.01 0.23 -0.25 116.67 128.20 2k6y s ASP 102 Ca -0.00 -2.14 -0.30 0.00 0.71 0.00 0.00 52.55 50.82 2k6y s ASP 102 Cb -0.16 -2.39 -0.06 0.00 1.01 0.00 0.00 42.92 41.32 2k6y s ASP 102 CO -0.08 -1.02 1.65 -0.76 0.21 0.00 0.00 175.17 175.17 2k6y s LEU 103 N 2.49 4.32 0.11 1.23 1.43 -0.03 -1.41 118.68 126.83 2k6y s LEU 103 Ca 0.33 2.25 -0.23 0.00 -1.03 0.00 0.00 54.13 55.44 2k6y s LEU 103 Cb -0.05 -3.54 -0.07 0.00 0.03 0.00 0.00 46.19 42.56 2k6y s LEU 103 CO -0.09 -0.92 0.70 -0.76 0.23 0.00 0.00 176.35 175.51 2k6y s LEU 104 N 3.91 4.55 0.34 1.79 1.43 0.12 -1.11 118.68 129.71 2k6y s LEU 104 Ca 0.73 1.47 0.09 0.00 -1.03 0.00 0.00 54.13 55.39 2k6y s LEU 104 Cb -0.34 -3.14 -0.06 0.00 0.03 0.00 0.00 46.19 42.69 2k6y s LEU 104 CO 0.30 0.20 -0.01 -0.36 0.23 0.00 0.00 176.35 176.71 2k6y s PHE 105 N -0.95 2.51 -1.04 0.29 0.40 -0.86 -0.12 117.98 118.23 2k6y s PHE 105 Ca 0.34 -0.46 -0.19 0.00 -0.60 0.00 0.00 56.93 56.02 2k6y s PHE 105 Cb -0.21 -1.47 -0.08 0.00 0.51 0.00 0.00 43.02 41.76 2k6y s PHE 105 CO 0.23 0.50 2.02 0.00 0.70 0.00 0.00 175.22 178.67 2k6y n ALA 106 N -0.92 3.99 0.00 5.36 0.00 -0.23 -4.66 120.51 124.05 2k6y n ALA 106 Ca -0.04 -3.51 0.00 0.00 0.00 0.00 0.00 53.44 49.89 2k6y n ALA 106 Cb 0.63 -3.60 0.00 0.00 0.00 0.00 0.00 19.45 16.48 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 4.48 0.77 1.90 0.00 0.00 -1.26 -4.96 105.19 106.12 2k6y n GLY 107 Ca 0.50 -1.78 -0.07 0.00 0.00 0.00 0.00 46.02 44.67 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 2.61 2.99 -0.02 0.00 -1.26 -4.79 105.19 104.72 2k6y n GLY 108 Ca 0.00 -0.73 -0.15 0.00 0.00 0.00 0.00 46.02 45.14 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 0.92 0.46 -0.11 1.61 3.01 -1.26 -5.12 119.74 119.25 2k6y s LYS 109 Ca 0.40 -0.38 -0.16 0.00 -1.01 0.00 0.00 55.97 54.82 2k6y s LYS 109 Cb 0.19 -0.37 0.04 0.00 -1.01 0.00 0.00 37.83 36.69 2k6y s LYS 109 CO 0.00 0.09 0.42 0.54 0.51 0.00 0.00 175.35 176.91 2k6y s VAL 110 N -0.55 0.02 -0.10 3.17 0.11 -1.26 -2.02 120.40 119.76 2k6y s VAL 110 Ca -0.02 -0.14 -0.01 0.00 -2.93 0.00 0.00 61.98 58.88 2k6y s VAL 110 Cb -0.05 -0.65 0.03 0.00 -1.53 0.00 0.00 36.38 34.19 2k6y s VAL 110 CO 0.00 -0.08 -0.01 -0.76 -3.33 0.00 0.00 175.10 170.92 2k6y s LEU 111 N -0.36 0.86 -0.21 2.54 1.43 -0.27 -4.93 118.68 117.74 2k6y s LEU 111 Ca -0.05 -0.27 -0.29 0.00 -1.03 0.00 0.00 54.13 52.49 2k6y s LEU 111 Cb -0.03 -0.58 -0.01 0.00 0.03 0.00 0.00 46.19 45.60 2k6y s LEU 111 CO 0.03 -0.19 1.32 -0.75 0.23 0.00 0.00 176.35 176.98 2k6y s LYS 112 N 1.88 4.09 0.34 1.70 2.20 -1.26 -0.85 119.74 127.83 2k6y s LYS 112 Ca 0.04 1.54 0.07 0.00 -0.36 0.00 0.00 55.97 57.26 2k6y s LYS 112 Cb -0.13 -3.84 -0.01 0.00 -1.51 0.00 0.00 37.83 32.34 2k6y s LYS 112 CO -0.06 -0.90 0.43 0.14 -0.36 0.00 0.00 175.35 174.59 2k6y s VAL 113 N 3.96 3.93 -0.04 4.02 -7.23 0.66 -4.95 120.40 120.75 2k6y s VAL 113 Ca 0.57 -1.08 0.05 0.00 -1.81 0.00 0.00 61.98 59.71 2k6y s VAL 113 Cb -0.21 -3.35 -0.01 0.00 0.56 0.00 0.00 36.38 33.37 2k6y s VAL 113 CO 0.19 -0.16 -0.20 0.54 -0.31 0.00 0.00 175.10 175.17 2k6y s VAL 114 N -2.21 1.62 -0.22 1.32 0.11 -1.26 -1.42 120.40 118.34 2k6y s VAL 114 Ca 0.44 -0.83 -0.03 0.00 -2.93 0.00 0.00 61.98 58.63 2k6y s VAL 114 Cb -0.09 -1.37 0.11 0.00 -1.53 0.00 0.00 36.38 33.50 2k6y s VAL 114 CO 0.30 0.46 0.27 -0.76 -3.33 0.00 0.00 175.10 172.04 2k6y s LEU 115 N -0.11 -0.25 0.71 2.54 1.43 -0.61 -4.68 118.68 117.71 2k6y s LEU 115 Ca -0.02 -0.14 -0.13 0.00 -1.03 0.00 0.00 54.13 52.81 2k6y s LEU 115 Cb -0.11 0.58 0.03 0.00 0.03 0.00 0.00 46.19 46.72 2k6y s LEU 115 CO 0.02 -0.32 1.11 -2.16 0.23 0.00 0.00 176.35 175.23 2k6y s PRO 116 N 2.39 2.52 0.09 1.29 0.04 -1.26 -2.59 135.00 137.47 2k6y s PRO 116 Ca 0.09 1.36 -0.30 0.00 0.04 0.00 0.00 61.00 62.19 2k6y s PRO 116 Cb -0.16 -1.92 -0.05 0.00 0.04 0.00 0.00 34.50 32.42 2k6y s PRO 116 CO -0.14 -1.47 0.95 0.08 0.04 0.00 0.00 177.00 176.46 2k6y s VAL 117 N -2.48 4.58 0.15 -0.36 1.01 -1.26 -1.04 120.40 120.99 2k6y s VAL 117 Ca 0.66 2.04 0.10 0.00 0.00 0.00 0.00 61.98 64.78 2k6y s VAL 117 Cb -0.20 -4.31 -0.04 0.00 0.00 0.00 0.00 36.38 31.83 2k6y s VAL 117 CO 0.47 0.30 -0.24 -0.70 0.00 0.00 0.00 175.10 174.92 2k6y s GLU 118 N 0.16 1.36 -0.06 2.72 -6.30 0.42 -4.80 118.70 112.21 2k6y s GLU 118 Ca 0.47 -1.37 0.08 0.00 -2.50 0.00 0.00 54.97 51.66 2k6y s GLU 118 Cb -0.23 -1.73 0.12 0.00 0.00 0.00 0.00 34.13 32.30 2k6y s GLU 118 CO 0.29 0.39 1.01 0.00 0.02 0.00 0.00 175.26 176.97 2k6y n ALA 119 N 0.71 1.99 1.27 6.30 0.00 -1.26 -0.71 120.51 128.81 2k6y n ALA 119 Ca -0.16 -1.64 0.13 0.00 0.00 0.00 0.00 53.44 51.76 2k6y n ALA 119 Cb 0.54 -0.27 0.33 0.00 0.00 0.00 0.00 19.45 20.05 2k6y n ALA 119 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37