#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k6y s SER 2 N 0.00 -0.17 -0.31 1.61 0.15 -1.26 -5.15 113.70 108.58 2k6y s SER 2 Ca 0.00 -0.50 -0.00 0.00 0.70 0.00 0.00 55.95 56.15 2k6y s SER 2 Cb 0.00 0.55 0.10 0.00 -1.71 0.00 0.00 66.02 64.95 2k6y s SER 2 CO 0.00 -1.02 0.08 -0.36 1.20 0.00 0.00 173.24 173.14 2k6y s PHE 3 N -3.26 2.03 0.20 3.44 0.08 -1.26 -4.99 117.98 114.21 2k6y s PHE 3 Ca 0.13 -1.90 -0.07 0.00 0.12 0.00 0.00 56.93 55.22 2k6y s PHE 3 Cb -0.02 -1.87 -0.02 0.00 -0.57 0.00 0.00 43.02 40.53 2k6y s PHE 3 CO 0.04 -0.87 0.27 0.95 -0.10 0.00 0.00 175.22 175.50 2k6y s THR 4 N 1.51 0.03 0.00 0.64 -4.23 -1.26 -5.19 115.64 107.14 2k6y s THR 4 Ca 0.09 -1.65 0.00 0.00 -1.18 0.00 0.00 61.69 58.95 2k6y s THR 4 Cb -0.18 -2.19 0.00 0.00 1.34 0.00 0.00 72.50 71.48 2k6y s THR 4 CO -0.21 -0.13 0.00 1.21 -0.54 0.00 0.00 174.62 174.95 2k6y n GLU 5 N -0.27 3.79 -4.25 3.99 2.13 -1.26 -4.74 120.64 120.03 2k6y n GLU 5 Ca -0.02 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.65 2k6y n GLU 5 Cb 0.64 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 32.25 2k6y n GLU 5 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 2k6y s GLY 6 N -0.21 1.64 -0.12 8.31 0.00 -1.26 -0.93 107.32 114.75 2k6y s GLY 6 Ca 0.00 -1.78 -0.30 0.00 0.00 0.00 0.00 44.72 42.64 2k6y s GLY 6 CO 0.00 -1.48 0.88 0.66 0.00 0.00 0.00 173.10 173.16 2k6y s TRP 7 N -3.94 -0.48 0.03 1.90 -2.14 -1.06 -4.27 118.94 108.98 2k6y s TRP 7 Ca 0.38 0.83 0.00 0.00 2.66 0.00 0.00 56.10 59.97 2k6y s TRP 7 Cb 0.07 0.43 -0.04 0.00 -3.10 0.00 0.00 33.47 30.83 2k6y s TRP 7 CO 0.14 -0.44 0.11 0.08 -2.66 0.00 0.00 176.95 174.19 2k6y s VAL 8 N -1.11 4.87 -0.28 -0.66 1.01 -0.21 -1.53 120.40 122.49 2k6y s VAL 8 Ca -0.05 -0.47 -0.14 0.00 0.00 0.00 0.00 61.98 61.32 2k6y s VAL 8 Cb -0.00 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.04 2k6y s VAL 8 CO 0.05 0.25 0.32 -0.60 0.00 0.00 0.00 175.10 175.11 2k6y s ARG 9 N -2.07 3.97 0.14 2.72 3.52 -0.01 -0.29 118.95 126.93 2k6y s ARG 9 Ca 0.27 -0.09 -0.30 0.00 -0.13 0.00 0.00 55.73 55.48 2k6y s ARG 9 Cb -0.12 -3.67 -0.07 0.00 -1.56 0.00 0.00 34.95 29.54 2k6y s ARG 9 CO 0.19 -0.26 1.06 0.12 -0.81 0.00 0.00 175.30 175.59 2k6y s PHE 10 N 1.97 3.66 0.07 5.12 5.36 0.46 -3.60 117.98 131.02 2k6y s PHE 10 Ca 0.12 1.64 -0.01 0.00 -0.96 0.00 0.00 56.93 57.73 2k6y s PHE 10 Cb -0.16 -3.21 -0.04 0.00 -0.34 0.00 0.00 43.02 39.27 2k6y s PHE 10 CO 0.10 -0.36 -0.02 -1.12 -1.46 0.00 0.00 175.22 172.36 2k6y s SER 11 N 0.08 0.51 0.00 6.13 0.01 -1.26 -1.55 113.70 117.63 2k6y s SER 11 Ca 0.49 -1.04 0.06 0.00 1.31 0.00 0.00 55.95 56.78 2k6y s SER 11 Cb -0.27 0.21 0.30 0.00 0.21 0.00 0.00 66.02 66.47 2k6y s SER 11 CO 0.32 -0.61 1.11 -0.81 0.41 0.00 0.00 173.24 173.66 2k6y n PRO 12 N 0.06 0.06 0.00 12.44 -0.04 -1.26 -4.89 135.00 141.37 2k6y n PRO 12 Ca -0.12 0.29 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 2k6y n PRO 12 Cb 0.61 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 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 -0.78 -1.71 0.00 0.55 0.00 -1.26 -4.91 105.19 97.07 2k6y n GLY 13 Ca 0.02 -2.04 0.08 0.00 0.00 0.00 0.00 46.02 44.08 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 0.00 0.14 -3.84 1.61 -0.04 -1.26 -4.89 135.00 126.72 2k6y n PRO 14 Ca 0.00 0.16 -0.13 0.00 -0.04 0.00 0.00 63.50 63.49 2k6y n PRO 14 Cb 0.00 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 31.81 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 -2.75 0.02 0.43 3.54 6.03 -1.26 -3.32 114.94 117.64 2k6y s ASN 15 Ca 0.13 0.02 0.02 0.00 -1.03 0.00 0.00 52.86 51.99 2k6y s ASN 15 Cb 0.11 -0.02 0.02 0.00 -3.03 0.00 0.00 41.25 38.33 2k6y s ASN 15 CO 0.28 -0.04 0.15 0.00 -2.03 0.00 0.00 177.10 175.45 2k6y n ALA 16 N 3.42 0.50 -3.16 3.54 0.00 -1.05 -4.93 120.51 118.84 2k6y n ALA 16 Ca -0.17 -1.85 -0.13 0.00 0.00 0.00 0.00 53.44 51.29 2k6y n ALA 16 Cb 0.57 0.91 -0.15 0.00 0.00 0.00 0.00 19.45 20.78 2k6y n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k6y s ALA 17 N -2.69 0.07 0.00 0.00 0.00 -1.24 -1.32 121.76 116.59 2k6y s ALA 17 Ca 0.11 0.08 0.07 0.00 0.00 0.00 0.00 51.96 52.22 2k6y s ALA 17 Cb -0.01 -0.09 -0.02 0.00 0.00 0.00 0.00 23.12 23.00 2k6y s ALA 17 CO 0.07 -0.03 -0.22 0.00 0.00 0.00 0.00 175.76 175.59 2k6y s ALA 18 N 0.35 1.81 0.18 0.00 0.00 -0.22 -0.83 121.76 123.05 2k6y s ALA 18 Ca -0.03 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 50.96 2k6y s ALA 18 Cb -0.05 -0.43 -0.05 0.00 0.00 0.00 0.00 23.12 22.60 2k6y s ALA 18 CO -0.01 0.43 0.03 0.71 0.00 0.00 0.00 175.76 176.92 2k6y s TYR 19 N -0.59 1.21 -0.20 0.00 2.02 -0.58 -1.30 117.35 117.90 2k6y s TYR 19 Ca 0.08 -1.08 -0.29 0.00 -0.37 0.00 0.00 57.07 55.41 2k6y s TYR 19 Cb -0.09 -0.69 0.14 0.00 -0.40 0.00 0.00 41.96 40.93 2k6y s TYR 19 CO -0.00 -0.28 1.10 -0.48 -1.57 0.00 0.00 175.55 174.31 2k6y s LEU 20 N -3.17 -0.29 0.21 -1.29 2.34 -1.26 -2.55 118.68 112.67 2k6y s LEU 20 Ca 0.26 0.34 -0.30 0.00 0.06 0.00 0.00 54.13 54.50 2k6y s LEU 20 Cb 0.07 1.66 -0.08 0.00 -0.56 0.00 0.00 46.19 47.28 2k6y s LEU 20 CO 0.05 -0.25 1.03 -0.89 -1.06 0.00 0.00 176.35 175.23 2k6y s THR 21 N -0.95 3.92 0.01 5.48 2.01 -0.10 -0.37 115.64 125.63 2k6y s THR 21 Ca 0.01 1.80 0.02 0.00 0.31 0.00 0.00 61.69 63.83 2k6y s THR 21 Cb -0.01 -4.15 -0.01 0.00 0.01 0.00 0.00 72.50 68.34 2k6y s THR 21 CO -0.02 0.38 -0.06 -0.22 -0.69 0.00 0.00 174.62 174.01 2k6y s LEU 22 N -0.86 2.09 -0.04 4.42 1.98 0.10 -4.55 118.68 121.82 2k6y s LEU 22 Ca 0.45 -0.23 0.04 0.00 -2.89 0.00 0.00 54.13 51.49 2k6y s LEU 22 Cb -0.28 -0.21 -0.00 0.00 0.66 0.00 0.00 46.19 46.36 2k6y s LEU 22 CO 0.35 -0.03 -0.15 -1.83 -1.89 0.00 0.00 176.35 172.80 2k6y s GLU 23 N -0.58 1.57 -0.56 1.98 -1.05 -1.26 -1.06 118.70 117.75 2k6y s GLU 23 Ca -0.02 -0.53 -0.17 0.00 -0.15 0.00 0.00 54.97 54.10 2k6y s GLU 23 Cb -0.04 -1.38 0.11 0.00 -0.44 0.00 0.00 34.13 32.37 2k6y s GLU 23 CO -0.00 0.20 0.59 1.21 0.95 0.00 0.00 175.26 178.22 2k6y s ASN 24 N 0.10 6.19 0.04 0.83 3.84 -0.23 -4.94 114.94 120.76 2k6y s ASN 24 Ca -0.04 -1.54 0.27 0.00 0.21 0.00 0.00 52.86 51.76 2k6y s ASN 24 Cb -0.11 -2.26 1.11 0.00 -0.55 0.00 0.00 41.25 39.45 2k6y s ASN 24 CO 0.02 -0.96 1.86 -0.81 -2.79 0.00 0.00 177.10 174.41 2k6y n PRO 25 N 5.80 0.04 -0.88 0.43 -0.04 -1.26 -0.87 135.00 138.22 2k6y n PRO 25 Ca -0.11 0.07 -0.08 0.00 -0.04 0.00 0.00 63.50 63.33 2k6y n PRO 25 Cb 0.42 -1.55 0.05 0.00 -0.04 0.00 0.00 33.50 32.38 2k6y n PRO 25 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k6y n GLY 26 N 1.29 -0.38 0.40 0.55 0.00 -1.26 -4.62 105.19 101.16 2k6y n GLY 26 Ca 0.06 -1.81 0.05 0.00 0.00 0.00 0.00 46.02 44.32 2k6y n GLY 26 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2k6y n ASP 27 N -3.14 1.91 -4.43 1.61 9.92 -1.26 -2.40 116.55 118.77 2k6y n ASP 27 Ca 0.05 -1.47 -0.22 0.00 -0.53 0.00 0.00 54.79 52.62 2k6y n ASP 27 Cb 0.18 -0.03 -0.10 0.00 -0.64 0.00 0.00 41.12 40.54 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 -0.81 2.58 0.39 0.64 0.05 -1.26 -4.84 118.68 115.43 2k6y s LEU 28 Ca 0.12 -1.06 -0.21 0.00 0.05 0.00 0.00 54.13 53.03 2k6y s LEU 28 Cb 0.08 -0.88 -0.10 0.00 -2.05 0.00 0.00 46.19 43.23 2k6y s LEU 28 CO 0.12 -0.10 0.91 -2.16 -0.55 0.00 0.00 176.35 174.57 2k6y s PRO 29 N -3.59 4.27 -0.30 1.48 0.04 -1.26 -4.04 135.00 131.60 2k6y s PRO 29 Ca 0.27 1.09 -0.03 0.00 0.04 0.00 0.00 61.00 62.38 2k6y s PRO 29 Cb -0.02 -2.37 0.04 0.00 0.04 0.00 0.00 34.50 32.19 2k6y s PRO 29 CO 0.12 0.07 0.02 -0.51 0.04 0.00 0.00 177.00 176.74 2k6y s LEU 30 N -2.88 3.82 -0.53 -3.56 1.02 -0.13 -4.98 118.68 111.44 2k6y s LEU 30 Ca 0.58 -1.09 -0.17 0.00 0.02 0.00 0.00 54.13 53.47 2k6y s LEU 30 Cb -0.11 -1.75 0.10 0.00 0.02 0.00 0.00 46.19 44.45 2k6y s LEU 30 CO 0.16 -0.24 0.51 -0.60 0.02 0.00 0.00 176.35 176.20 2k6y s ARG 31 N 1.33 3.00 -0.36 1.70 3.52 -1.26 -0.22 118.95 126.66 2k6y s ARG 31 Ca -0.02 -1.49 -0.23 0.00 -0.13 0.00 0.00 55.73 53.86 2k6y s ARG 31 Cb -0.19 -4.23 0.01 0.00 -1.56 0.00 0.00 34.95 28.98 2k6y s ARG 31 CO -0.01 -1.27 0.75 -1.17 -0.81 0.00 0.00 175.30 172.80 2k6y s LEU 32 N 1.85 4.15 -0.02 -0.88 2.96 -0.03 -2.19 118.68 124.52 2k6y s LEU 32 Ca 0.05 0.33 0.19 0.00 -0.22 0.00 0.00 54.13 54.48 2k6y s LEU 32 Cb -0.27 -2.98 -0.29 0.00 0.50 0.00 0.00 46.19 43.16 2k6y s LEU 32 CO 0.05 -0.70 0.43 1.33 -1.32 0.00 0.00 176.35 176.14 2k6y n VAL 33 N 5.74 0.00 -3.32 1.68 0.24 0.62 -0.41 118.33 122.87 2k6y n VAL 33 Ca 0.02 -0.41 0.00 0.00 -2.04 0.00 0.00 64.34 61.91 2k6y n VAL 33 Cb 0.48 0.11 0.00 0.00 -1.47 0.00 0.00 33.84 32.97 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 1.43 0.65 3.54 7.63 0.00 -1.18 -4.60 105.19 112.67 2k6y n GLY 34 Ca -0.03 -0.67 -0.14 0.00 0.00 0.00 0.00 46.02 45.17 2k6y n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k6y s ALA 35 N -1.00 0.61 -0.13 4.61 0.00 -1.26 -0.71 121.76 123.88 2k6y s ALA 35 Ca 0.00 -1.45 -0.10 0.00 0.00 0.00 0.00 51.96 50.41 2k6y s ALA 35 Cb 0.00 1.08 0.04 0.00 0.00 0.00 0.00 23.12 24.24 2k6y s ALA 35 CO 0.00 -0.82 0.34 0.50 0.00 0.00 0.00 175.76 175.78 2k6y s ARG 36 N -2.81 0.36 0.04 0.00 6.06 -0.39 -4.83 118.95 117.37 2k6y s ARG 36 Ca 0.29 0.57 -0.01 0.00 -2.50 0.00 0.00 55.73 54.08 2k6y s ARG 36 Cb -0.01 0.07 -0.03 0.00 0.06 0.00 0.00 34.95 35.04 2k6y s ARG 36 CO 0.20 -0.10 -0.03 -0.08 -2.50 0.00 0.00 175.30 172.79 2k6y s THR 37 N 0.72 0.19 -0.02 4.11 -1.32 -1.26 -0.28 115.64 117.78 2k6y s THR 37 Ca -0.04 -1.54 0.17 0.00 -1.21 0.00 0.00 61.69 59.07 2k6y s THR 37 Cb -0.06 -1.14 0.11 0.00 -1.51 0.00 0.00 72.50 69.90 2k6y s THR 37 CO -0.05 -0.85 1.58 1.55 -2.21 0.00 0.00 174.62 174.65 2k6y h PRO 38 N 3.61 0.00 0.00 7.08 0.13 -1.98 -3.35 132.00 137.48 2k6y h PRO 38 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 2k6y h PRO 38 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2k6y h PRO 38 CO 0.58 0.43 -0.17 1.33 -0.23 0.00 0.00 178.00 179.94 2k6y n VAL 39 N -3.34 0.16 -4.20 1.56 0.24 -1.26 -4.59 118.33 106.91 2k6y n VAL 39 Ca 0.01 -0.09 -0.15 0.00 -2.04 0.00 0.00 64.34 62.07 2k6y n VAL 39 Cb 0.63 -0.33 -0.11 0.00 -1.47 0.00 0.00 33.84 32.56 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 -3.04 1.23 0.00 2.33 0.00 -1.26 -3.23 121.76 117.80 2k6y s ALA 40 Ca 0.12 -1.24 0.00 0.00 0.00 0.00 0.00 51.96 50.83 2k6y s ALA 40 Cb 0.17 0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.30 2k6y s ALA 40 CO 0.60 -0.01 0.00 -1.91 0.00 0.00 0.00 175.76 174.43 2k6y n GLU 41 N 0.47 0.00 -2.72 0.00 4.07 0.35 -4.63 120.64 118.18 2k6y n GLU 41 Ca -0.15 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 56.53 2k6y n GLU 41 Cb 0.58 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 31.93 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 0.08 3.50 0.10 5.31 3.52 -0.80 -4.94 118.95 125.71 2k6y s ARG 42 Ca 0.00 -1.22 -0.22 0.00 -0.13 0.00 0.00 55.73 54.16 2k6y s ARG 42 Cb 0.00 -4.95 -0.07 0.00 -1.56 0.00 0.00 34.95 28.37 2k6y s ARG 42 CO 0.00 -2.00 0.66 0.54 -0.81 0.00 0.00 175.30 173.68 2k6y s VAL 43 N 4.15 4.62 -0.01 7.11 0.11 -1.26 -1.26 120.40 133.86 2k6y s VAL 43 Ca 0.37 1.42 0.01 0.00 -2.93 0.00 0.00 61.98 60.85 2k6y s VAL 43 Cb -0.04 -4.00 0.00 0.00 -1.53 0.00 0.00 36.38 30.81 2k6y s VAL 43 CO -0.05 0.52 -0.03 -1.61 -3.33 0.00 0.00 175.10 170.60 2k6y s GLU 44 N -0.99 0.27 -0.23 1.54 2.02 -0.30 -4.85 118.70 116.17 2k6y s GLU 44 Ca 0.32 -0.09 -0.22 0.00 0.02 0.00 0.00 54.97 54.99 2k6y s GLU 44 Cb -0.21 -0.28 -0.01 0.00 0.10 0.00 0.00 34.13 33.72 2k6y s GLU 44 CO 0.22 0.05 0.72 -1.17 0.02 0.00 0.00 175.26 175.09 2k6y s LEU 45 N 0.05 4.10 0.19 1.80 0.20 -1.26 -0.58 118.68 123.18 2k6y s LEU 45 Ca -0.00 0.89 0.07 0.00 0.69 0.00 0.00 54.13 55.78 2k6y s LEU 45 Cb -0.03 -3.01 -0.04 0.00 -0.43 0.00 0.00 46.19 42.68 2k6y s LEU 45 CO -0.00 -0.40 0.07 -1.00 -0.29 0.00 0.00 176.35 174.72 2k6y s HIS 46 N 2.47 2.97 0.57 5.38 3.76 0.29 -0.95 115.29 129.78 2k6y s HIS 46 Ca 0.31 -0.10 0.08 0.00 -0.15 0.00 0.00 55.06 55.19 2k6y s HIS 46 Cb -0.16 -1.41 0.08 0.00 1.11 0.00 0.00 32.58 32.20 2k6y s HIS 46 CO 0.09 0.53 0.63 -0.85 -0.85 0.00 0.00 174.74 174.28 2k6y n GLU 47 N -0.40 0.63 -3.64 1.40 0.28 0.01 -0.73 120.64 118.19 2k6y n GLU 47 Ca -0.09 -3.29 -0.22 0.00 -0.16 0.00 0.00 57.16 53.40 2k6y n GLU 47 Cb 0.56 0.04 -0.17 0.00 1.43 0.00 0.00 31.44 33.29 2k6y n GLU 47 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 2k6y s THR 48 N -2.68 -0.12 0.51 3.84 2.01 0.69 -3.34 115.64 116.55 2k6y s THR 48 Ca 0.48 0.20 0.01 0.00 0.31 0.00 0.00 61.69 62.69 2k6y s THR 48 Cb -0.04 -0.32 0.01 0.00 0.01 0.00 0.00 72.50 72.16 2k6y s THR 48 CO 0.30 0.00 0.10 2.22 -0.69 0.00 0.00 174.62 176.56 2k6y n PHE 49 N 5.29 0.73 -4.37 4.92 -1.74 -0.30 -4.55 117.46 117.45 2k6y n PHE 49 Ca -0.05 -2.43 -0.24 0.00 -0.56 0.00 0.00 57.45 54.18 2k6y n PHE 49 Cb 0.50 -0.36 -0.17 0.00 1.52 0.00 0.00 39.48 40.97 2k6y n PHE 49 CO 0.00 0.00 0.00 -1.64 -0.56 0.00 0.00 176.76 174.56 2k6y s MET 50 N -3.91 1.47 0.43 3.97 -1.94 -1.26 -1.39 119.30 116.67 2k6y s MET 50 Ca 0.08 -0.31 0.05 0.00 -1.71 0.00 0.00 55.69 53.79 2k6y s MET 50 Cb -0.01 -1.31 0.01 0.00 2.01 0.00 0.00 34.83 35.53 2k6y s MET 50 CO 0.05 -0.05 0.61 -0.98 -0.01 0.00 0.00 175.02 174.63 2k6y s ARG 51 N 0.92 2.86 0.13 2.03 1.70 0.03 -4.88 118.95 121.75 2k6y s ARG 51 Ca -0.10 -0.99 -0.18 0.00 -0.47 0.00 0.00 55.73 53.99 2k6y s ARG 51 Cb -0.15 -2.69 -0.07 0.00 -0.57 0.00 0.00 34.95 31.47 2k6y s ARG 51 CO 0.01 -0.29 0.61 -2.00 -1.08 0.00 0.00 175.30 172.54 2k6y s GLU 52 N -4.43 4.16 0.00 3.89 2.12 -1.26 -0.38 118.70 122.80 2k6y s GLU 52 Ca 0.52 0.71 0.00 0.00 0.36 0.00 0.00 54.97 56.57 2k6y s GLU 52 Cb -0.10 -3.06 0.00 0.00 0.26 0.00 0.00 34.13 31.23 2k6y s GLU 52 CO 0.34 0.53 0.07 1.55 -0.54 0.00 0.00 175.26 177.21 2k6y n VAL 53 N 1.20 0.00 -1.76 3.70 3.14 -1.01 -4.92 118.33 118.68 2k6y n VAL 53 Ca -0.07 -0.22 -0.01 0.00 -2.96 0.00 0.00 64.34 61.08 2k6y n VAL 53 Cb 0.51 1.17 -0.01 0.00 -1.06 0.00 0.00 33.84 34.45 2k6y n VAL 53 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 2k6y n GLU 54 N -0.31 0.05 0.00 1.45 2.13 -1.26 -4.92 120.64 117.78 2k6y n GLU 54 Ca 0.00 -0.22 0.00 0.00 0.66 0.00 0.00 57.16 57.60 2k6y n GLU 54 Cb 0.04 0.43 0.00 0.00 0.27 0.00 0.00 31.44 32.18 2k6y n GLU 54 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2k6y n GLY 55 N -0.05 0.85 3.72 8.31 0.00 -1.26 -4.95 105.19 111.81 2k6y n GLY 55 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 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 4.48 -0.04 1.61 1.02 -1.26 -4.97 119.74 120.58 2k6y s LYS 56 Ca 0.00 1.78 -0.30 0.00 0.02 0.00 0.00 55.97 57.47 2k6y s LYS 56 Cb 0.00 -3.31 -0.03 0.00 -0.52 0.00 0.00 37.83 33.97 2k6y s LYS 56 CO 0.00 -0.15 1.15 0.15 -0.92 0.00 0.00 175.35 175.58 2k6y s LYS 57 N 0.47 4.39 -0.00 1.68 -0.14 -1.26 -2.42 119.74 122.46 2k6y s LYS 57 Ca 0.55 1.62 -0.00 0.00 -1.36 0.00 0.00 55.97 56.78 2k6y s LYS 57 Cb -0.30 -3.52 0.00 0.00 -1.68 0.00 0.00 37.83 32.34 2k6y s LYS 57 CO 0.32 -0.37 0.00 0.08 -0.76 0.00 0.00 175.35 174.63 2k6y s VAL 58 N 1.92 -0.01 0.83 3.17 1.01 0.49 -4.99 120.40 122.81 2k6y s VAL 58 Ca 0.55 0.02 -0.11 0.00 0.00 0.00 0.00 61.98 62.44 2k6y s VAL 58 Cb -0.24 -0.02 0.09 0.00 0.00 0.00 0.00 36.38 36.21 2k6y s VAL 58 CO 0.23 0.01 1.09 -0.04 0.00 0.00 0.00 175.10 176.39 2k6y s MET 59 N 0.09 1.83 0.19 2.72 -1.94 -1.26 -0.79 119.30 120.15 2k6y s MET 59 Ca -0.01 1.01 -0.19 0.00 -1.71 0.00 0.00 55.69 54.79 2k6y s MET 59 Cb -0.01 -1.86 0.03 0.00 2.01 0.00 0.00 34.83 35.00 2k6y s MET 59 CO -0.00 -1.90 0.55 0.20 -0.01 0.00 0.00 175.02 173.86 2k6y s GLY 60 N -3.42 -0.19 0.23 -0.03 0.00 -0.49 -4.76 107.32 98.66 2k6y s GLY 60 Ca 0.62 -0.10 0.10 0.00 0.00 0.00 0.00 44.72 45.34 2k6y s GLY 60 CO 0.56 -0.18 -0.20 1.06 0.00 0.00 0.00 173.10 174.35 2k6y s MET 61 N -3.85 1.51 -0.15 2.90 -1.94 -1.26 -1.15 119.30 115.35 2k6y s MET 61 Ca 0.08 -1.62 -0.30 0.00 -1.71 0.00 0.00 55.69 52.14 2k6y s MET 61 Cb -0.01 -1.59 0.13 0.00 2.01 0.00 0.00 34.83 35.37 2k6y s MET 61 CO -0.04 0.31 1.01 -0.98 -0.01 0.00 0.00 175.02 175.31 2k6y s ARG 62 N -3.22 0.58 0.63 2.03 1.70 -1.21 -5.01 118.95 114.44 2k6y s ARG 62 Ca 0.24 0.08 -0.16 0.00 -0.47 0.00 0.00 55.73 55.41 2k6y s ARG 62 Cb -0.05 0.27 -0.02 0.00 -0.57 0.00 0.00 34.95 34.59 2k6y s ARG 62 CO 0.11 -0.19 1.13 -1.25 -1.08 0.00 0.00 175.30 174.01 2k6y s PRO 63 N -1.38 2.93 0.26 3.89 0.05 -1.26 -0.81 135.00 138.67 2k6y s PRO 63 Ca 0.00 1.50 0.11 0.00 0.05 0.00 0.00 61.00 62.67 2k6y s PRO 63 Cb -0.01 -1.96 -0.05 0.00 0.05 0.00 0.00 34.50 32.54 2k6y s PRO 63 CO -0.00 -1.17 -0.20 0.14 0.05 0.00 0.00 177.00 175.82 2k6y s VAL 64 N -2.11 2.37 0.02 -0.36 -7.23 -0.13 -4.81 120.40 108.16 2k6y s VAL 64 Ca 0.70 -2.32 0.28 0.00 -1.81 0.00 0.00 61.98 58.83 2k6y s VAL 64 Cb -0.23 -2.24 0.32 0.00 0.56 0.00 0.00 36.38 34.80 2k6y s VAL 64 CO 0.37 -0.37 1.86 1.55 -0.31 0.00 0.00 175.10 178.19 2k6y h PRO 65 N 2.46 0.00 -1.43 4.82 0.13 -1.93 -3.44 132.00 132.62 2k6y h PRO 65 Ca -0.41 0.00 0.33 0.00 -0.87 0.00 0.00 66.00 65.05 2k6y h PRO 65 Cb 1.25 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.26 2k6y h PRO 65 CO 0.58 0.09 0.84 -0.59 -0.23 0.00 0.00 178.00 178.69 2k6y s PHE 66 N -3.57 -0.04 0.44 1.56 -0.12 -1.26 -4.79 117.98 110.20 2k6y s PHE 66 Ca 0.02 -0.06 0.04 0.00 -0.05 0.00 0.00 56.93 56.88 2k6y s PHE 66 Cb 0.09 0.54 -0.04 0.00 -0.63 0.00 0.00 43.02 42.98 2k6y s PHE 66 CO 0.60 -0.26 0.03 -0.51 -0.05 0.00 0.00 175.22 175.02 2k6y s LEU 67 N -2.98 2.46 0.19 -1.99 1.43 0.46 -5.01 118.68 113.24 2k6y s LEU 67 Ca 0.14 -1.52 -0.14 0.00 -1.03 0.00 0.00 54.13 51.57 2k6y s LEU 67 Cb 0.05 -0.68 0.01 0.00 0.03 0.00 0.00 46.19 45.60 2k6y s LEU 67 CO -0.04 -0.69 0.45 -1.83 0.23 0.00 0.00 176.35 174.47 2k6y s GLU 68 N -3.80 1.34 -0.05 1.70 -1.05 -1.26 -0.85 118.70 114.74 2k6y s GLU 68 Ca 0.22 -1.00 0.01 0.00 -0.15 0.00 0.00 54.97 54.04 2k6y s GLU 68 Cb 0.06 0.47 0.02 0.00 -0.44 0.00 0.00 34.13 34.24 2k6y s GLU 68 CO 0.11 -0.55 -0.03 0.08 0.95 0.00 0.00 175.26 175.82 2k6y s VAL 69 N -3.92 0.46 0.81 1.83 1.01 0.70 -4.95 120.40 116.34 2k6y s VAL 69 Ca 0.13 -0.06 -0.11 0.00 0.00 0.00 0.00 61.98 61.94 2k6y s VAL 69 Cb 0.00 -0.51 0.08 0.00 0.00 0.00 0.00 36.38 35.95 2k6y s VAL 69 CO -0.00 0.22 1.09 -2.16 0.00 0.00 0.00 175.10 174.24 2k6y s PRO 70 N 1.08 1.97 0.43 2.72 0.04 -1.26 -0.96 135.00 139.02 2k6y s PRO 70 Ca -0.09 0.97 -0.26 0.00 0.04 0.00 0.00 61.00 61.67 2k6y s PRO 70 Cb -0.14 -1.88 -0.09 0.00 0.04 0.00 0.00 34.50 32.43 2k6y s PRO 70 CO -0.01 -1.79 1.42 -1.25 0.04 0.00 0.00 177.00 175.41 2k6y s PRO 71 N -4.95 3.82 0.00 0.56 0.04 -1.26 -2.03 135.00 131.18 2k6y s PRO 71 Ca 0.62 2.41 0.00 0.00 0.04 0.00 0.00 61.00 64.06 2k6y s PRO 71 Cb -0.17 -2.74 0.00 0.00 0.04 0.00 0.00 34.50 31.64 2k6y s PRO 71 CO 0.56 -0.71 0.00 1.63 0.04 0.00 0.00 177.00 178.52 2k6y n LYS 72 N -0.01 0.00 -2.65 4.56 4.76 -0.05 -4.97 118.16 119.80 2k6y n LYS 72 Ca 0.04 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 55.05 2k6y n LYS 72 Cb 0.42 -3.62 -0.02 0.00 -1.84 0.00 0.00 35.03 29.97 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 1.61 -0.12 0.72 0.00 -0.86 -4.83 107.32 101.84 2k6y s GLY 73 Ca 0.00 0.03 -0.18 0.00 0.00 0.00 0.00 44.72 44.57 2k6y s GLY 73 CO 0.00 2.23 0.48 -1.60 0.00 0.00 0.00 173.10 174.21 2k6y s ARG 74 N 3.46 4.33 0.22 2.90 3.52 -1.26 -1.07 118.95 131.06 2k6y s ARG 74 Ca 0.45 0.45 -0.01 0.00 -0.13 0.00 0.00 55.73 56.49 2k6y s ARG 74 Cb -0.13 -3.44 -0.04 0.00 -1.56 0.00 0.00 34.95 29.78 2k6y s ARG 74 CO 0.12 0.14 0.18 0.14 -0.81 0.00 0.00 175.30 175.06 2k6y s VAL 75 N 0.70 0.00 0.01 7.11 -7.23 -0.22 -4.92 120.40 115.85 2k6y s VAL 75 Ca 0.26 -1.95 0.00 0.00 -1.81 0.00 0.00 61.98 58.49 2k6y s VAL 75 Cb -0.15 -2.48 -0.01 0.00 0.56 0.00 0.00 36.38 34.30 2k6y s VAL 75 CO 0.10 0.00 -0.02 -1.83 -0.31 0.00 0.00 175.10 173.04 2k6y s GLU 76 N -4.03 0.21 -1.34 4.82 4.04 -1.26 -0.72 118.70 120.42 2k6y s GLU 76 Ca 0.38 -0.38 -0.12 0.00 0.04 0.00 0.00 54.97 54.89 2k6y s GLU 76 Cb 0.06 0.03 0.11 0.00 0.02 0.00 0.00 34.13 34.35 2k6y s GLU 76 CO 0.14 -0.02 1.96 1.28 -1.84 0.00 0.00 175.26 176.78 2k6y n LEU 77 N 2.18 6.49 -4.77 1.83 4.32 0.50 -4.76 117.00 122.78 2k6y n LEU 77 Ca -0.19 -4.39 -0.40 0.00 -0.02 0.00 0.00 56.01 51.00 2k6y n LEU 77 Cb 0.57 -1.58 0.01 0.00 -1.62 0.00 0.00 43.42 40.80 2k6y n LEU 77 CO 0.22 1.14 1.08 -1.59 -1.22 0.00 0.00 177.39 177.02 2k6y s LYS 78 N 1.78 3.91 0.53 3.23 -2.85 -0.93 -4.17 119.74 121.25 2k6y s LYS 78 Ca 0.44 2.44 0.36 0.00 -1.00 0.00 0.00 55.97 58.21 2k6y s LYS 78 Cb 0.10 -2.81 1.93 0.00 -2.06 0.00 0.00 37.83 34.99 2k6y s LYS 78 CO -0.02 -0.64 2.10 -1.00 0.10 0.00 0.00 175.35 175.88 2k6y h PRO 79 N 2.67 0.00 -0.64 1.78 0.13 -1.95 -0.71 132.00 133.28 2k6y h PRO 79 Ca -0.51 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.38 2k6y h PRO 79 Cb 1.25 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.24 2k6y h PRO 79 CO 0.63 0.00 0.24 0.41 -0.23 0.00 0.00 178.00 179.05 2k6y n GLY 80 N -1.11 4.17 2.10 1.56 0.00 -1.26 -4.80 105.19 105.86 2k6y n GLY 80 Ca -0.02 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.92 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 -0.64 -1.02 3.62 -0.02 0.00 -0.51 -4.87 105.19 101.76 2k6y n GLY 81 Ca 0.41 0.17 -0.14 0.00 0.00 0.00 0.00 46.02 46.46 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 -0.78 0.05 1.61 2.02 -0.39 -0.22 117.35 117.63 2k6y s TYR 82 Ca 0.00 1.90 -0.28 0.00 -0.37 0.00 0.00 57.07 58.31 2k6y s TYR 82 Cb 0.00 0.28 0.10 0.00 -0.40 0.00 0.00 41.96 41.93 2k6y s TYR 82 CO 0.00 -0.39 1.11 -3.38 -1.57 0.00 0.00 175.55 171.32 2k6y s HIS 83 N 0.32 -0.11 -0.23 2.71 -3.43 0.10 -2.19 115.29 112.46 2k6y s HIS 83 Ca -0.00 -0.09 -0.10 0.00 -0.80 0.00 0.00 55.06 54.07 2k6y s HIS 83 Cb -0.05 0.59 -0.05 0.00 -1.43 0.00 0.00 32.58 31.64 2k6y s HIS 83 CO 0.01 -0.54 0.15 -0.06 -2.00 0.00 0.00 174.74 172.31 2k6y s PHE 84 N -2.85 3.32 0.07 0.38 0.08 -0.42 -0.55 117.98 118.01 2k6y s PHE 84 Ca 0.12 0.22 -0.14 0.00 0.12 0.00 0.00 56.93 57.25 2k6y s PHE 84 Cb 0.01 -2.25 -0.06 0.00 -0.57 0.00 0.00 43.02 40.15 2k6y s PHE 84 CO -0.02 0.09 0.47 -1.64 -0.10 0.00 0.00 175.22 174.02 2k6y s MET 85 N 0.95 3.94 -0.60 0.44 -1.94 0.26 -1.05 119.30 121.30 2k6y s MET 85 Ca 0.07 0.43 0.04 0.00 -1.71 0.00 0.00 55.69 54.53 2k6y s MET 85 Cb -0.13 -3.09 0.15 0.00 2.01 0.00 0.00 34.83 33.77 2k6y s MET 85 CO 0.03 0.59 0.36 -0.51 -0.01 0.00 0.00 175.02 175.49 2k6y s LEU 86 N -1.52 4.55 -0.51 -0.03 1.43 -0.43 -1.15 118.68 121.01 2k6y s LEU 86 Ca 0.31 -3.38 -0.25 0.00 -1.03 0.00 0.00 54.13 49.78 2k6y s LEU 86 Cb -0.16 -1.64 0.03 0.00 0.03 0.00 0.00 46.19 44.45 2k6y s LEU 86 CO 0.17 -0.17 0.94 -0.76 0.23 0.00 0.00 176.35 176.76 2k6y s LEU 87 N -0.80 4.04 0.00 1.79 2.01 -0.39 -2.53 118.68 122.81 2k6y s LEU 87 Ca 0.20 -0.13 0.00 0.00 0.01 0.00 0.00 54.13 54.21 2k6y s LEU 87 Cb -0.17 -3.00 0.00 0.00 0.01 0.00 0.00 46.19 43.04 2k6y s LEU 87 CO -0.07 -1.15 0.00 0.61 1.01 0.00 0.00 176.35 176.75 2k6y n GLY 88 N 5.04 -2.54 3.28 -3.19 0.00 -1.21 -1.91 105.19 104.66 2k6y n GLY 88 Ca 0.04 -1.04 -0.35 0.00 0.00 0.00 0.00 46.02 44.67 2k6y n GLY 88 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k6y s LEU 89 N -0.88 3.02 0.00 0.99 1.43 -1.26 -0.49 118.68 121.48 2k6y s LEU 89 Ca 0.00 -0.53 0.09 0.00 -1.03 0.00 0.00 54.13 52.65 2k6y s LEU 89 Cb 0.00 -1.73 0.26 0.00 0.03 0.00 0.00 46.19 44.75 2k6y s LEU 89 CO 0.00 -0.06 1.21 2.29 0.23 0.00 0.00 176.35 180.02 2k6y n LYS 90 N 4.77 1.62 -3.57 1.70 2.85 -1.20 -4.84 118.16 119.49 2k6y n LYS 90 Ca -0.18 -0.96 -0.06 0.00 -1.05 0.00 0.00 58.31 56.06 2k6y n LYS 90 Cb 0.50 -1.21 -0.02 0.00 -0.65 0.00 0.00 35.03 33.64 2k6y n LYS 90 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 177.40 176.37 2k6y s ARG 91 N -1.65 0.47 0.78 -1.58 1.70 -1.26 -5.03 118.95 112.38 2k6y s ARG 91 Ca 0.18 -0.15 -0.11 0.00 -0.47 0.00 0.00 55.73 55.19 2k6y s ARG 91 Cb 0.10 0.22 0.06 0.00 -0.57 0.00 0.00 34.95 34.75 2k6y s ARG 91 CO 0.13 -0.20 1.09 -1.25 -1.08 0.00 0.00 175.30 173.98 2k6y s PRO 92 N -2.53 2.19 0.00 3.89 0.04 -1.26 -4.95 135.00 132.39 2k6y s PRO 92 Ca 0.07 1.11 0.00 0.00 0.04 0.00 0.00 61.00 62.22 2k6y s PRO 92 Cb -0.01 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.64 2k6y s PRO 92 CO -0.06 -1.67 0.00 1.28 0.04 0.00 0.00 177.00 176.59 2k6y n LEU 93 N -3.53 0.00 -3.67 -3.56 4.32 -1.26 -5.00 117.00 104.30 2k6y n LEU 93 Ca 0.09 0.00 -0.12 0.00 -0.02 0.00 0.00 56.01 55.96 2k6y n LEU 93 Cb 0.53 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.25 2k6y n LEU 93 CO 0.54 -0.05 0.25 -0.75 -1.22 0.00 0.00 177.39 176.16 2k6y s LYS 94 N -0.18 0.64 0.14 3.23 2.47 -1.26 -5.04 119.74 119.75 2k6y s LYS 94 Ca 0.00 0.88 -0.32 0.00 -1.56 0.00 0.00 55.97 54.97 2k6y s LYS 94 Cb 0.00 0.25 -0.12 0.00 -1.46 0.00 0.00 37.83 36.50 2k6y s LYS 94 CO 0.00 -0.10 1.78 0.00 0.16 0.00 0.00 175.35 177.19 2k6y n ALA 95 N 3.23 2.24 -1.17 3.13 0.00 -1.26 -2.90 120.51 123.77 2k6y n ALA 95 Ca -0.16 0.35 -0.05 0.00 0.00 0.00 0.00 53.44 53.59 2k6y n ALA 95 Cb 0.56 -2.54 -0.02 0.00 0.00 0.00 0.00 19.45 17.45 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 4.07 0.72 4.00 0.00 0.00 -0.67 -5.05 105.19 108.26 2k6y n GLY 96 Ca 0.18 -0.85 -0.23 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.47 1.81 0.06 1.61 -1.05 -1.14 -4.92 118.70 112.60 2k6y s GLU 97 Ca 0.00 -1.23 0.01 0.00 -0.15 0.00 0.00 54.97 53.60 2k6y s GLU 97 Cb 0.00 -2.40 -0.04 0.00 -0.44 0.00 0.00 34.13 31.25 2k6y s GLU 97 CO 0.00 -1.32 0.12 -1.83 0.95 0.00 0.00 175.26 173.18 2k6y s GLU 98 N -5.04 3.09 -0.23 -4.83 -1.05 -1.26 -0.52 118.70 108.86 2k6y s GLU 98 Ca 0.65 -0.57 -0.07 0.00 -0.15 0.00 0.00 54.97 54.83 2k6y s GLU 98 Cb -0.05 -2.85 -0.03 0.00 -0.44 0.00 0.00 34.13 30.76 2k6y s GLU 98 CO 0.43 0.60 0.07 0.08 0.95 0.00 0.00 175.26 177.38 2k6y s VAL 99 N -1.39 4.44 0.03 1.83 1.01 0.71 -4.90 120.40 122.13 2k6y s VAL 99 Ca 0.30 -0.14 -0.30 0.00 0.00 0.00 0.00 61.98 61.84 2k6y s VAL 99 Cb -0.12 -3.05 -0.07 0.00 0.00 0.00 0.00 36.38 33.14 2k6y s VAL 99 CO 0.22 0.37 1.59 -1.61 0.00 0.00 0.00 175.10 175.68 2k6y s GLU 100 N 1.23 4.21 -0.22 2.72 2.02 -1.26 -2.46 118.70 124.95 2k6y s GLU 100 Ca 0.05 2.21 -0.01 0.00 0.02 0.00 0.00 54.97 57.24 2k6y s GLU 100 Cb -0.14 -3.67 0.06 0.00 0.10 0.00 0.00 34.13 30.48 2k6y s GLU 100 CO 0.03 -0.72 -0.00 -0.51 0.02 0.00 0.00 175.26 174.08 2k6y s LEU 101 N 2.86 1.91 -1.13 1.80 1.43 -0.43 -4.00 118.68 121.13 2k6y s LEU 101 Ca 0.71 -1.04 -0.21 0.00 -1.03 0.00 0.00 54.13 52.56 2k6y s LEU 101 Cb -0.36 -0.89 0.06 0.00 0.03 0.00 0.00 46.19 45.02 2k6y s LEU 101 CO 0.30 -0.28 1.57 -1.81 0.23 0.00 0.00 176.35 176.36 2k6y s ASP 102 N 1.62 6.60 -0.11 2.29 1.01 0.61 -0.36 116.67 128.33 2k6y s ASP 102 Ca -0.03 -1.82 -0.29 0.00 0.71 0.00 0.00 52.55 51.12 2k6y s ASP 102 Cb -0.18 -2.57 -0.05 0.00 1.01 0.00 0.00 42.92 41.13 2k6y s ASP 102 CO -0.08 -1.41 1.75 -0.76 0.21 0.00 0.00 175.17 174.88 2k6y s LEU 103 N 4.81 4.10 -0.15 1.23 1.43 -0.25 -1.26 118.68 128.58 2k6y s LEU 103 Ca 0.50 2.05 -0.22 0.00 -1.03 0.00 0.00 54.13 55.43 2k6y s LEU 103 Cb 0.01 -3.53 -0.03 0.00 0.03 0.00 0.00 46.19 42.67 2k6y s LEU 103 CO -0.03 -1.17 0.65 -0.76 0.23 0.00 0.00 176.35 175.27 2k6y s LEU 104 N 4.95 4.21 -0.17 1.79 1.43 0.12 -1.21 118.68 129.79 2k6y s LEU 104 Ca 0.78 0.96 0.01 0.00 -1.03 0.00 0.00 54.13 54.84 2k6y s LEU 104 Cb -0.32 -2.95 0.03 0.00 0.03 0.00 0.00 46.19 42.99 2k6y s LEU 104 CO 0.32 -0.20 -0.13 -0.36 0.23 0.00 0.00 176.35 176.21 2k6y s PHE 105 N 1.44 2.27 -0.75 0.29 0.40 -0.34 -0.28 117.98 121.02 2k6y s PHE 105 Ca 0.32 -1.37 0.00 0.00 -0.60 0.00 0.00 56.93 55.27 2k6y s PHE 105 Cb -0.16 -1.61 0.00 0.00 0.51 0.00 0.00 43.02 41.75 2k6y s PHE 105 CO 0.13 -0.70 0.00 0.00 0.70 0.00 0.00 175.22 175.35 2k6y n ALA 106 N 4.74 -0.27 0.00 5.36 0.00 -0.93 -1.37 120.51 128.04 2k6y n ALA 106 Ca -0.16 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2k6y n ALA 106 Cb 0.49 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 19.01 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 -0.25 0.75 0.04 0.00 0.00 -1.26 -4.70 105.19 99.78 2k6y n GLY 107 Ca -0.08 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.00 3.12 -0.02 0.00 -1.11 -4.81 105.19 101.38 2k6y n GLY 108 Ca 0.00 -0.21 -0.08 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.18 0.67 -0.08 1.61 3.01 -0.47 -5.07 119.74 117.23 2k6y s LYS 109 Ca 0.41 -1.09 -0.17 0.00 -1.01 0.00 0.00 55.97 54.11 2k6y s LYS 109 Cb 0.21 0.25 0.04 0.00 -1.01 0.00 0.00 37.83 37.32 2k6y s LYS 109 CO 0.40 -0.16 0.42 0.54 0.51 0.00 0.00 175.35 177.06 2k6y s VAL 110 N -3.73 0.03 -0.21 3.17 0.11 -1.26 -1.19 120.40 117.31 2k6y s VAL 110 Ca 0.05 -0.21 -0.03 0.00 -2.93 0.00 0.00 61.98 58.86 2k6y s VAL 110 Cb 0.06 -0.67 0.07 0.00 -1.53 0.00 0.00 36.38 34.31 2k6y s VAL 110 CO -0.10 -0.12 0.05 -0.76 -3.33 0.00 0.00 175.10 170.84 2k6y s LEU 111 N -0.68 1.23 -0.83 2.54 1.43 -0.35 -4.95 118.68 117.07 2k6y s LEU 111 Ca -0.08 -0.93 -0.26 0.00 -1.03 0.00 0.00 54.13 51.84 2k6y s LEU 111 Cb -0.04 -0.60 0.04 0.00 0.03 0.00 0.00 46.19 45.62 2k6y s LEU 111 CO 0.04 -0.33 1.34 -0.75 0.23 0.00 0.00 176.35 176.88 2k6y s LYS 112 N 1.85 3.31 0.29 1.70 2.20 -1.26 -1.09 119.74 126.74 2k6y s LYS 112 Ca 0.01 -0.51 -0.11 0.00 -0.36 0.00 0.00 55.97 55.00 2k6y s LYS 112 Cb -0.17 -4.55 -0.07 0.00 -1.51 0.00 0.00 37.83 31.52 2k6y s LYS 112 CO -0.11 -2.18 0.64 0.14 -0.36 0.00 0.00 175.35 173.47 2k6y s VAL 113 N 5.55 4.85 -0.07 4.02 -7.23 0.52 -4.86 120.40 123.18 2k6y s VAL 113 Ca 0.39 0.57 -0.21 0.00 -1.81 0.00 0.00 61.98 60.93 2k6y s VAL 113 Cb -0.06 -3.65 -0.04 0.00 0.56 0.00 0.00 36.38 33.19 2k6y s VAL 113 CO 0.07 -0.21 0.59 0.54 -0.31 0.00 0.00 175.10 175.78 2k6y s VAL 114 N -1.99 5.06 -0.02 1.32 0.11 -1.26 -1.31 120.40 122.31 2k6y s VAL 114 Ca 0.49 1.20 0.00 0.00 -2.93 0.00 0.00 61.98 60.75 2k6y s VAL 114 Cb -0.11 -3.92 0.03 0.00 -1.53 0.00 0.00 36.38 30.85 2k6y s VAL 114 CO 0.23 0.33 0.03 -0.76 -3.33 0.00 0.00 175.10 171.60 2k6y s LEU 115 N 0.43 1.13 0.55 2.54 1.43 -1.03 -4.98 118.68 118.76 2k6y s LEU 115 Ca 0.31 0.04 -0.18 0.00 -1.03 0.00 0.00 54.13 53.27 2k6y s LEU 115 Cb -0.17 -0.07 -0.05 0.00 0.03 0.00 0.00 46.19 45.93 2k6y s LEU 115 CO 0.15 -0.12 1.09 -2.16 0.23 0.00 0.00 176.35 175.54 2k6y s PRO 116 N 1.01 3.38 -0.32 1.29 0.04 -1.26 -0.20 135.00 138.94 2k6y s PRO 116 Ca -0.08 1.44 -0.14 0.00 0.04 0.00 0.00 61.00 62.25 2k6y s PRO 116 Cb -0.12 -2.03 -0.03 0.00 0.04 0.00 0.00 34.50 32.37 2k6y s PRO 116 CO -0.03 -0.79 0.31 0.08 0.04 0.00 0.00 177.00 176.61 2k6y s VAL 117 N -2.03 5.21 0.59 -0.36 1.01 0.33 -1.05 120.40 124.10 2k6y s VAL 117 Ca 0.69 0.13 -0.15 0.00 0.00 0.00 0.00 61.98 62.65 2k6y s VAL 117 Cb -0.20 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 2k6y s VAL 117 CO 0.29 0.03 1.04 -0.70 0.00 0.00 0.00 175.10 175.77 2k6y s GLU 118 N 1.93 3.40 -0.05 2.72 2.12 0.61 -1.68 118.70 127.76 2k6y s GLU 118 Ca 0.11 1.12 0.02 0.00 0.36 0.00 0.00 54.97 56.58 2k6y s GLU 118 Cb -0.16 -2.05 0.01 0.00 0.26 0.00 0.00 34.13 32.19 2k6y s GLU 118 CO 0.11 -0.73 -0.10 0.00 -0.54 0.00 0.00 175.26 173.99 2k6y s ALA 119 N -2.57 1.09 0.00 6.30 0.00 -1.26 -0.40 121.76 124.92 2k6y s ALA 119 Ca 0.62 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 52.24 2k6y s ALA 119 Cb -0.14 -0.49 0.00 0.00 0.00 0.00 0.00 23.12 22.48 2k6y s ALA 119 CO 0.38 0.10 0.00 0.54 0.00 0.00 0.00 175.76 176.79