#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bey s VAL 2 N 0.00 3.68 -0.03 1.69 1.01 -1.26 -4.84 120.40 120.65 1bey s VAL 2 Ca 0.00 -1.37 0.03 0.00 0.00 0.00 0.00 61.98 60.64 1bey s VAL 2 Cb 0.00 -2.82 -0.00 0.00 0.00 0.00 0.00 36.38 33.55 1bey s VAL 2 CO 0.00 -0.06 -0.13 -1.10 0.00 0.00 0.00 175.10 173.81 1bey s GLN 3 N -2.78 1.28 -0.33 2.72 -1.52 -0.08 -5.02 119.66 113.93 1bey s GLN 3 Ca 0.26 -0.45 -0.01 0.00 -1.95 0.00 0.00 55.36 53.22 1bey s GLN 3 Cb -0.10 -1.17 0.12 0.00 -0.22 0.00 0.00 33.01 31.65 1bey s GLN 3 CO 0.18 0.19 0.18 -0.51 -0.25 0.00 0.00 175.29 175.08 1bey s LEU 4 N 0.05 0.99 -0.12 2.90 1.02 -1.26 -2.11 118.68 120.15 1bey s LEU 4 Ca -0.02 -1.90 -0.04 0.00 0.02 0.00 0.00 54.13 52.20 1bey s LEU 4 Cb -0.09 -0.44 -0.03 0.00 0.02 0.00 0.00 46.19 45.65 1bey s LEU 4 CO 0.01 -0.35 0.02 0.00 0.02 0.00 0.00 176.35 176.04 1bey s GLN 5 N 1.39 3.32 0.00 1.70 -2.07 -1.07 -3.32 119.66 119.61 1bey s GLN 5 Ca 0.15 -0.39 0.00 0.00 -1.82 0.00 0.00 55.36 53.29 1bey s GLN 5 Cb -0.21 -2.92 0.00 0.00 -1.09 0.00 0.00 33.01 28.79 1bey s GLN 5 CO -0.12 0.55 0.00 0.39 -1.32 0.00 0.00 175.29 174.79 1bey n GLU 6 N 2.62 0.89 0.00 9.60 4.71 -1.26 -0.19 120.64 137.01 1bey n GLU 6 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 56.97 1bey n GLU 6 Cb 0.53 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.96 1bey n GLU 6 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 1bey n SER 7 N -1.24 0.00 0.00 1.62 2.88 -0.71 -4.70 113.62 111.47 1bey n SER 7 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1bey n SER 7 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1bey n SER 7 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1bey n GLY 8 N -0.38 3.03 3.76 0.46 0.00 -1.26 -2.49 105.19 108.31 1bey n GLY 8 Ca 0.00 -1.86 -0.41 0.00 0.00 0.00 0.00 46.02 43.75 1bey n GLY 8 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1bey s PRO 9 N -2.02 4.13 -0.03 1.61 0.02 -1.24 -4.94 135.00 132.52 1bey s PRO 9 Ca 0.00 2.56 0.04 0.00 0.02 0.00 0.00 61.00 63.62 1bey s PRO 9 Cb 0.00 -3.01 -0.25 0.00 0.02 0.00 0.00 34.50 31.27 1bey s PRO 9 CO 0.00 -0.58 0.72 0.78 -0.33 0.00 0.00 177.00 177.59 1bey h GLY 10 N 4.15 0.13 -4.62 0.52 0.00 -1.89 -3.44 103.07 97.92 1bey h GLY 10 Ca -0.48 -0.34 -0.62 0.00 0.00 0.00 0.00 47.33 45.89 1bey h GLY 10 CO 0.73 0.29 -0.86 -2.27 0.00 0.00 0.00 176.54 174.44 1bey s LEU 11 N -6.56 2.10 -0.02 3.11 0.20 -1.26 0.49 118.68 116.73 1bey s LEU 11 Ca -0.08 -0.46 -0.00 0.00 0.69 0.00 0.00 54.13 54.27 1bey s LEU 11 Cb 0.08 -1.09 0.03 0.00 -0.43 0.00 0.00 46.19 44.78 1bey s LEU 11 CO 0.82 0.23 0.03 0.68 -0.29 0.00 0.00 176.35 177.82 1bey s VAL 12 N -0.64 -0.04 0.23 1.68 -7.23 0.28 -4.89 120.40 109.79 1bey s VAL 12 Ca 0.08 0.22 -0.31 0.00 -1.81 0.00 0.00 61.98 60.16 1bey s VAL 12 Cb -0.09 -0.11 -0.12 0.00 0.56 0.00 0.00 36.38 36.63 1bey s VAL 12 CO 0.00 0.11 1.67 -0.13 -0.31 0.00 0.00 175.10 176.44 1bey s ARG 13 N 1.18 4.13 1.06 4.82 0.52 -1.26 -2.50 118.95 126.90 1bey s ARG 13 Ca -0.08 2.59 -0.17 0.00 -0.52 0.00 0.00 55.73 57.54 1bey s ARG 13 Cb -0.13 -3.06 0.07 0.00 0.52 0.00 0.00 34.95 32.34 1bey s ARG 13 CO -0.03 -0.71 0.03 -2.30 0.02 0.00 0.00 175.30 172.32 1bey n PRO 14 N 3.40 -1.12 0.00 3.54 -0.02 -1.26 -1.48 135.00 138.06 1bey n PRO 14 Ca 0.13 -0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 1bey n PRO 14 Cb 0.36 -1.70 0.00 0.00 -0.02 0.00 0.00 33.50 32.14 1bey n PRO 14 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1bey n SER 15 N -1.22 0.00 -2.72 2.55 2.88 -1.18 -4.92 113.62 109.01 1bey n SER 15 Ca 0.02 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.49 1bey n SER 15 Cb 0.60 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 64.12 1bey n SER 15 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1bey n GLN 16 N 0.00 -1.39 -5.14 -1.46 1.13 -0.55 -4.34 117.38 105.63 1bey n GLN 16 Ca 0.00 -0.41 -0.30 0.00 -1.94 0.00 0.00 57.00 54.34 1bey n GLN 16 Cb 0.00 -0.37 -0.17 0.00 0.11 0.00 0.00 30.24 29.81 1bey n GLN 16 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1bey s THR 17 N -1.48 1.91 0.25 5.09 2.01 -1.26 -3.40 115.64 118.75 1bey s THR 17 Ca 0.17 -0.96 -0.30 0.00 0.31 0.00 0.00 61.69 60.91 1bey s THR 17 Cb -0.01 -1.63 -0.09 0.00 0.01 0.00 0.00 72.50 70.77 1bey s THR 17 CO 0.13 0.53 1.22 -0.22 -0.69 0.00 0.00 174.62 175.59 1bey s LEU 18 N 0.10 4.47 -0.07 4.42 0.20 -0.04 -4.87 118.68 122.89 1bey s LEU 18 Ca -0.10 2.40 -0.03 0.00 0.69 0.00 0.00 54.13 57.09 1bey s LEU 18 Cb -0.15 -3.62 0.04 0.00 -0.43 0.00 0.00 46.19 42.03 1bey s LEU 18 CO 0.05 -0.38 0.11 -0.55 -0.29 0.00 0.00 176.35 175.29 1bey s SER 19 N -0.28 1.06 0.04 3.68 0.15 -1.26 -0.66 113.70 116.44 1bey s SER 19 Ca 0.50 0.13 0.02 0.00 0.70 0.00 0.00 55.95 57.30 1bey s SER 19 Cb -0.35 0.04 -0.03 0.00 -1.71 0.00 0.00 66.02 63.97 1bey s SER 19 CO 0.42 -0.26 -0.07 -0.76 1.20 0.00 0.00 173.24 173.78 1bey s LEU 20 N 2.22 2.29 -0.07 3.45 1.02 -0.53 -3.68 118.68 123.38 1bey s LEU 20 Ca 0.04 -0.61 0.02 0.00 0.02 0.00 0.00 54.13 53.61 1bey s LEU 20 Cb -0.12 -0.09 0.01 0.00 0.02 0.00 0.00 46.19 46.01 1bey s LEU 20 CO -0.05 -0.27 -0.13 -0.89 0.02 0.00 0.00 176.35 175.04 1bey s THR 21 N -1.73 1.20 -0.49 5.49 2.01 -1.04 -0.56 115.64 120.52 1bey s THR 21 Ca -0.08 -0.52 -0.17 0.00 0.31 0.00 0.00 61.69 61.23 1bey s THR 21 Cb -0.08 -1.09 0.07 0.00 0.01 0.00 0.00 72.50 71.41 1bey s THR 21 CO -0.01 0.37 0.51 0.00 -0.69 0.00 0.00 174.62 174.80 1bey s THR 23 N 2.11 4.97 0.24 0.00 2.01 0.73 -2.01 115.64 123.70 1bey s THR 23 Ca 0.09 1.17 0.07 0.00 0.31 0.00 0.00 61.69 63.33 1bey s THR 23 Cb -0.22 -3.95 -0.04 0.00 0.01 0.00 0.00 72.50 68.30 1bey s THR 23 CO 0.09 0.02 0.19 -0.69 -0.69 0.00 0.00 174.62 173.54 1bey s VAL 24 N 2.51 4.46 -0.30 3.82 1.01 0.18 -2.60 120.40 129.47 1bey s VAL 24 Ca 0.27 -1.37 -0.13 0.00 0.00 0.00 0.00 61.98 60.75 1bey s VAL 24 Cb -0.15 -3.40 0.18 0.00 0.00 0.00 0.00 36.38 33.00 1bey s VAL 24 CO 0.08 -0.33 1.00 -0.94 0.00 0.00 0.00 175.10 174.91 1bey s SER 25 N -3.78 -0.57 0.00 3.32 1.04 -0.90 -4.79 113.70 108.03 1bey s SER 25 Ca 0.33 0.51 0.00 0.00 0.48 0.00 0.00 55.95 57.26 1bey s SER 25 Cb -0.08 1.54 0.00 0.00 0.10 0.00 0.00 66.02 67.58 1bey s SER 25 CO 0.25 -0.11 0.00 0.61 0.98 0.00 0.00 173.24 174.97 1bey n GLY 26 N 5.25 0.05 0.00 7.32 0.00 -1.26 -0.90 105.19 115.64 1bey n GLY 26 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1bey n GLY 26 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1bey n PHE 27 N 0.00 -0.73 -4.02 1.61 1.16 -1.26 -4.85 117.46 109.38 1bey n PHE 27 Ca 0.00 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.49 1bey n PHE 27 Cb 0.00 0.00 -0.11 0.00 -1.61 0.00 0.00 39.48 37.76 1bey n PHE 27 CO 0.00 0.00 0.00 0.95 -1.87 0.00 0.00 176.76 175.84 1bey s THR 28 N -2.74 0.17 0.28 1.97 -4.23 -1.26 -5.01 115.64 104.81 1bey s THR 28 Ca 0.00 -1.16 0.19 0.00 -1.18 0.00 0.00 61.69 59.53 1bey s THR 28 Cb 0.00 -0.62 0.15 0.00 1.34 0.00 0.00 72.50 73.37 1bey s THR 28 CO 0.00 -0.63 1.82 -0.26 -0.54 0.00 0.00 174.62 175.01 1bey h PHE 29 N 4.23 0.00 0.00 3.99 0.04 -1.98 -2.84 116.94 120.38 1bey h PHE 29 Ca -0.33 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.44 1bey h PHE 29 Cb 1.19 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.34 1bey h PHE 29 CO 0.63 0.33 0.01 -2.37 -0.60 0.00 0.00 178.31 176.31 1bey n THR 30 N -3.72 0.22 -2.14 -1.55 5.66 -1.26 -1.20 114.28 110.28 1bey n THR 30 Ca -0.01 0.06 -0.01 0.00 -3.05 0.00 0.00 64.05 61.04 1bey n THR 30 Cb 0.43 -1.06 -0.02 0.00 -1.55 0.00 0.00 70.33 68.13 1bey n THR 30 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1bey n ASP 31 N -0.99 -0.01 -3.64 1.09 9.92 -1.08 -4.34 116.55 117.50 1bey n ASP 31 Ca 0.00 -1.79 -0.06 0.00 -0.53 0.00 0.00 54.79 52.41 1bey n ASP 31 Cb 0.01 -0.04 -0.07 0.00 -0.64 0.00 0.00 41.12 40.38 1bey n ASP 31 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 1bey s PHE 32 N 0.00 -1.08 0.01 1.24 0.08 -0.34 -4.96 117.98 112.92 1bey s PHE 32 Ca 0.10 2.14 -0.30 0.00 0.12 0.00 0.00 56.93 58.98 1bey s PHE 32 Cb 0.11 0.65 -0.04 0.00 -0.57 0.00 0.00 43.02 43.17 1bey s PHE 32 CO -0.05 -0.54 1.08 0.71 -0.10 0.00 0.00 175.22 176.33 1bey s TYR 33 N 1.73 3.52 -0.33 0.36 2.02 -1.21 -4.38 117.35 119.07 1bey s TYR 33 Ca -0.10 1.50 -0.10 0.00 -0.37 0.00 0.00 57.07 58.01 1bey s TYR 33 Cb -0.06 -3.26 0.00 0.00 -0.40 0.00 0.00 41.96 38.25 1bey s TYR 33 CO -0.20 -0.60 0.17 -1.64 -1.57 0.00 0.00 175.55 171.71 1bey s MET 34 N 1.23 3.21 0.37 -0.62 -1.94 -1.03 -0.32 119.30 120.20 1bey s MET 34 Ca 0.54 -0.81 0.08 0.00 -1.71 0.00 0.00 55.69 53.80 1bey s MET 34 Cb -0.24 -3.61 -0.07 0.00 2.01 0.00 0.00 34.83 32.93 1bey s MET 34 CO 0.27 -0.49 -0.00 0.54 -0.01 0.00 0.00 175.02 175.33 1bey s ASN 35 N 1.60 3.97 0.47 3.03 2.20 -1.07 -1.02 114.94 124.11 1bey s ASN 35 Ca 0.04 -1.19 0.06 0.00 -0.94 0.00 0.00 52.86 50.83 1bey s ASN 35 Cb -0.18 -0.42 -0.01 0.00 -2.00 0.00 0.00 41.25 38.64 1bey s ASN 35 CO 0.06 -0.33 0.31 0.26 -2.94 0.00 0.00 177.10 174.46 1bey s TRP 36 N -2.62 2.24 -0.16 1.54 0.52 -0.77 -2.28 118.94 117.41 1bey s TRP 36 Ca 0.35 -0.67 -0.16 0.00 0.02 0.00 0.00 56.10 55.63 1bey s TRP 36 Cb 0.05 -1.99 0.04 0.00 -1.15 0.00 0.00 33.47 30.42 1bey s TRP 36 CO 0.18 -0.15 0.46 0.08 0.02 0.00 0.00 176.95 177.54 1bey s VAL 37 N -2.64 0.00 0.08 4.03 1.01 0.33 -3.61 120.40 119.61 1bey s VAL 37 Ca 0.39 -0.03 0.06 0.00 0.00 0.00 0.00 61.98 62.40 1bey s VAL 37 Cb -0.00 -0.65 -0.03 0.00 0.00 0.00 0.00 36.38 35.69 1bey s VAL 37 CO 0.23 -0.02 -0.17 0.00 0.00 0.00 0.00 175.10 175.14 1bey s ARG 38 N 0.08 0.95 -0.27 2.72 1.70 -0.95 0.25 118.95 123.43 1bey s ARG 38 Ca -0.01 -1.04 -0.02 0.00 -0.47 0.00 0.00 55.73 54.19 1bey s ARG 38 Cb -0.03 -1.06 0.12 0.00 -0.57 0.00 0.00 34.95 33.40 1bey s ARG 38 CO 0.01 0.24 0.23 -1.14 -1.08 0.00 0.00 175.30 173.56 1bey s GLN 39 N -1.80 0.26 1.08 3.89 0.74 -0.65 -0.46 119.66 122.71 1bey s GLN 39 Ca 0.02 -0.19 -0.12 0.00 0.05 0.00 0.00 55.36 55.12 1bey s GLN 39 Cb -0.10 -0.93 0.24 0.00 1.10 0.00 0.00 33.01 33.32 1bey s GLN 39 CO 0.03 -0.95 1.07 -2.14 -0.55 0.00 0.00 175.29 172.75 1bey s PRO 40 N 2.28 -0.26 -0.30 1.67 0.02 -1.21 -1.45 135.00 135.75 1bey s PRO 40 Ca 0.09 1.05 -0.44 0.00 0.02 0.00 0.00 61.00 61.72 1bey s PRO 40 Cb -0.15 -1.61 -0.19 0.00 0.02 0.00 0.00 34.50 32.56 1bey s PRO 40 CO -0.30 -3.34 1.45 -2.30 -0.33 0.00 0.00 177.00 172.17 1bey n PRO 41 N -4.68 0.18 -3.95 5.54 -0.02 -1.26 -2.08 135.00 128.74 1bey n PRO 41 Ca 0.06 0.07 -0.40 0.00 -2.02 0.00 0.00 63.50 61.21 1bey n PRO 41 Cb 0.54 -1.59 0.02 0.00 -0.02 0.00 0.00 33.50 32.44 1bey n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bey n GLY 42 N 3.21 -0.96 0.00 -1.23 0.00 -1.26 -4.94 105.19 100.00 1bey n GLY 42 Ca 0.27 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.69 1bey n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bey n ARG 43 N -4.41 0.00 -5.28 1.61 1.74 -0.89 -5.16 116.66 104.26 1bey n ARG 43 Ca -0.14 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.63 1bey n ARG 43 Cb 0.59 0.00 -0.16 0.00 -1.02 0.00 0.00 32.46 31.87 1bey n ARG 43 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1bey s GLY 44 N 0.00 1.26 0.81 -0.13 0.00 -1.26 -4.93 107.32 103.07 1bey s GLY 44 Ca 0.00 -1.11 -0.16 0.00 0.00 0.00 0.00 44.72 43.44 1bey s GLY 44 CO 0.00 -0.93 -0.06 1.04 0.00 0.00 0.00 173.10 173.15 1bey n LEU 45 N 2.43 -2.50 -3.67 0.66 4.77 -1.26 -4.63 117.00 112.79 1bey n LEU 45 Ca -0.16 0.42 -0.14 0.00 -0.03 0.00 0.00 56.01 56.11 1bey n LEU 45 Cb 0.51 -0.99 -0.13 0.00 -2.33 0.00 0.00 43.42 40.48 1bey n LEU 45 CO 0.23 -4.50 -0.14 -0.70 -1.33 0.00 0.00 177.39 170.95 1bey s GLU 46 N -2.32 0.15 -0.08 3.23 2.12 0.39 -4.95 118.70 117.22 1bey s GLU 46 Ca 0.54 0.73 -0.30 0.00 0.36 0.00 0.00 54.97 56.30 1bey s GLU 46 Cb -0.30 -0.05 -0.04 0.00 0.26 0.00 0.00 34.13 34.00 1bey s GLU 46 CO 0.70 -0.28 1.51 -0.46 -0.54 0.00 0.00 175.26 176.18 1bey s TRP 47 N 2.34 2.34 0.01 5.30 -0.00 -1.26 -2.23 118.94 125.43 1bey s TRP 47 Ca 0.01 0.51 -0.17 0.00 -0.00 0.00 0.00 56.10 56.45 1bey s TRP 47 Cb -0.12 -3.76 -0.35 0.00 -0.00 0.00 0.00 33.47 29.24 1bey s TRP 47 CO -0.08 -3.05 0.96 0.82 -0.00 0.00 0.00 176.95 175.60 1bey h ILE 48 N 5.47 1.30 0.00 5.86 2.04 -1.93 -3.41 117.51 126.84 1bey h ILE 48 Ca -0.35 -2.66 0.00 0.00 1.00 0.00 0.00 64.86 62.85 1bey h ILE 48 Cb 1.15 3.06 0.00 0.00 -0.74 0.00 0.00 36.82 40.30 1bey h ILE 48 CO 0.95 0.80 0.00 0.61 0.00 0.00 0.00 178.15 180.51 1bey n GLY 49 N 1.72 -0.57 0.00 5.37 0.00 -1.26 0.13 105.19 110.57 1bey n GLY 49 Ca -0.17 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.34 1bey n GLY 49 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1bey n PHE 50 N 7.42 -0.13 -3.87 1.61 1.16 -1.21 -1.85 117.46 120.59 1bey n PHE 50 Ca 0.00 0.00 -0.11 0.00 -1.87 0.00 0.00 57.45 55.47 1bey n PHE 50 Cb 0.00 0.00 -0.12 0.00 -1.61 0.00 0.00 39.48 37.75 1bey n PHE 50 CO 0.00 0.00 0.00 -1.50 -1.87 0.00 0.00 176.76 173.39 1bey s ILE 51 N -2.01 0.03 0.17 1.97 2.07 -0.19 -2.46 121.20 120.79 1bey s ILE 51 Ca 0.00 -0.26 -0.03 0.00 -1.41 0.00 0.00 60.65 58.95 1bey s ILE 51 Cb 0.00 -0.18 -0.05 0.00 0.13 0.00 0.00 42.46 42.36 1bey s ILE 51 CO 0.00 -0.14 0.39 -0.13 -1.91 0.00 0.00 174.94 173.15 1bey s ARG 52 N -0.43 3.58 0.00 3.50 0.52 0.32 -2.46 118.95 123.97 1bey s ARG 52 Ca -0.05 -0.19 0.00 0.00 -0.52 0.00 0.00 55.73 54.97 1bey s ARG 52 Cb -0.03 -2.84 0.00 0.00 0.52 0.00 0.00 34.95 32.60 1bey s ARG 52 CO 0.00 0.43 0.00 -0.40 0.02 0.00 0.00 175.30 175.35 1bey n ASP 53 N -0.26 -0.03 0.06 0.23 5.68 -1.26 -3.65 116.55 117.31 1bey n ASP 53 Ca -0.03 0.00 -0.20 0.00 -0.50 0.00 0.00 54.79 54.05 1bey n ASP 53 Cb 0.53 0.00 -0.13 0.00 -1.14 0.00 0.00 41.12 40.38 1bey n ASP 53 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 1bey h LYS 54 N 0.00 0.51 0.19 0.11 3.64 -1.76 -3.13 116.57 116.13 1bey h LYS 54 Ca 0.00 -0.66 -0.00 0.00 -1.27 0.00 0.00 60.65 58.72 1bey h LYS 54 Cb 0.00 0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 1bey h LYS 54 CO 0.00 1.27 -0.30 0.00 -2.27 0.00 0.00 179.45 178.15 1bey h ALA 55 N 0.26 -0.91 0.00 5.00 0.00 -1.90 -0.66 119.26 121.05 1bey h ALA 55 Ca -0.15 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1bey h ALA 55 Cb 1.68 0.62 0.00 0.00 0.00 0.00 0.00 17.79 20.09 1bey h ALA 55 CO 0.19 -0.95 0.00 1.17 0.00 0.00 0.00 179.25 179.65 1bey n LYS 56 N -4.20 0.26 -0.34 0.00 3.00 -1.26 -4.92 118.16 110.71 1bey n LYS 56 Ca -0.06 0.00 0.04 0.00 -0.00 0.00 0.00 58.31 58.29 1bey n LYS 56 Cb 0.26 -1.35 -0.02 0.00 0.00 0.00 0.00 35.03 33.91 1bey n LYS 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1bey n GLY 57 N -0.41 -2.77 3.14 3.14 0.00 -0.26 -4.14 105.19 103.90 1bey n GLY 57 Ca 0.04 -1.36 -0.43 0.00 0.00 0.00 0.00 46.02 44.27 1bey n GLY 57 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1bey n TYR 58 N -2.56 3.88 -2.73 1.61 4.02 -1.19 -4.26 117.16 115.93 1bey n TYR 58 Ca -0.02 -3.04 -0.28 0.00 -0.01 0.00 0.00 57.90 54.54 1bey n TYR 58 Cb 0.16 -2.08 -0.01 0.00 -0.02 0.00 0.00 39.34 37.38 1bey n TYR 58 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 1bey s THR 59 N 1.06 4.87 0.05 -0.72 -4.23 -1.25 -4.70 115.64 110.71 1bey s THR 59 Ca 0.42 0.34 0.06 0.00 -1.18 0.00 0.00 61.69 61.33 1bey s THR 59 Cb 0.04 -3.82 -0.02 0.00 1.34 0.00 0.00 72.50 70.04 1bey s THR 59 CO 0.00 -0.72 -0.18 0.42 -0.54 0.00 0.00 174.62 173.60 1bey s THR 60 N -2.60 1.47 -0.32 3.99 -4.23 -1.26 0.12 115.64 112.80 1bey s THR 60 Ca 0.49 -1.15 -0.02 0.00 -1.18 0.00 0.00 61.69 59.83 1bey s THR 60 Cb -0.10 -1.30 0.12 0.00 1.34 0.00 0.00 72.50 72.56 1bey s THR 60 CO 0.40 0.11 0.17 -0.70 -0.54 0.00 0.00 174.62 174.06 1bey s GLU 61 N -1.22 0.39 0.46 3.99 2.12 -1.03 -5.01 118.70 118.40 1bey s GLU 61 Ca 0.05 -0.96 -0.22 0.00 0.36 0.00 0.00 54.97 54.20 1bey s GLU 61 Cb -0.09 -1.26 -0.08 0.00 0.26 0.00 0.00 34.13 32.96 1bey s GLU 61 CO 0.02 -1.12 1.05 0.71 -0.54 0.00 0.00 175.26 175.38 1bey s TYR 62 N 1.55 3.07 0.44 5.30 2.02 -1.26 -3.36 117.35 125.10 1bey s TYR 62 Ca 0.14 1.60 -0.25 0.00 -0.37 0.00 0.00 57.07 58.18 1bey s TYR 62 Cb -0.20 -3.12 -0.08 0.00 -0.40 0.00 0.00 41.96 38.16 1bey s TYR 62 CO -0.17 -0.84 1.37 1.21 -1.57 0.00 0.00 175.55 175.55 1bey s ASN 63 N -1.78 6.04 0.60 2.29 3.84 0.34 -4.80 114.94 121.46 1bey s ASN 63 Ca 0.64 2.79 0.29 0.00 0.21 0.00 0.00 52.86 56.78 1bey s ASN 63 Cb -0.19 -2.65 1.40 0.00 -0.55 0.00 0.00 41.25 39.26 1bey s ASN 63 CO 0.24 -1.05 1.81 -0.65 -2.79 0.00 0.00 177.10 174.66 1bey h PRO 64 N 2.43 0.00 0.29 0.43 0.11 -1.93 -2.63 132.00 130.70 1bey h PRO 64 Ca -0.50 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 1bey h PRO 64 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1bey h PRO 64 CO 0.62 0.00 -0.16 1.03 -0.21 0.00 0.00 178.00 179.28 1bey h SER 65 N 0.00 -0.39 0.57 -2.05 0.87 -1.92 -3.35 113.55 107.28 1bey h SER 65 Ca 0.25 0.02 -0.28 0.00 -1.23 0.00 0.00 61.79 60.54 1bey h SER 65 Cb 1.42 0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 63.49 1bey h SER 65 CO -0.00 -0.26 -1.37 -0.37 -0.53 0.00 0.00 176.83 174.30 1bey h VAL 66 N -0.42 1.34 -0.33 2.23 -1.51 -1.87 -3.47 116.25 112.22 1bey h VAL 66 Ca -0.04 -2.96 -0.28 0.00 -1.23 0.00 0.00 66.70 62.19 1bey h VAL 66 Cb 0.33 2.84 0.00 0.00 -2.13 0.00 0.00 31.29 32.33 1bey h VAL 66 CO 0.05 0.85 0.21 1.17 -1.23 0.00 0.00 177.57 178.62 1bey n LYS 67 N -3.46 0.00 0.00 5.19 4.81 -1.00 -1.48 118.16 122.21 1bey n LYS 67 Ca -0.12 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.32 1bey n LYS 67 Cb 1.03 -0.49 0.00 0.00 0.02 0.00 0.00 35.03 35.59 1bey n LYS 67 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1bey n GLY 68 N 1.23 2.06 0.88 3.14 0.00 -1.26 -4.88 105.19 106.36 1bey n GLY 68 Ca 0.10 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.11 1bey n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bey n ARG 69 N 0.00 0.01 -0.60 1.61 1.74 -0.55 -4.99 116.66 113.87 1bey n ARG 69 Ca 0.00 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.79 1bey n ARG 69 Cb 0.00 -0.56 0.22 0.00 -1.02 0.00 0.00 32.46 31.10 1bey n ARG 69 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1bey s VAL 70 N -2.01 2.05 -0.38 1.55 -7.23 -1.26 -3.30 120.40 109.83 1bey s VAL 70 Ca -0.00 0.02 0.02 0.00 -1.81 0.00 0.00 61.98 60.20 1bey s VAL 70 Cb 0.00 -2.07 0.28 0.00 0.56 0.00 0.00 36.38 35.16 1bey s VAL 70 CO 0.01 -0.02 1.18 0.41 -0.31 0.00 0.00 175.10 176.36 1bey n THR 71 N -4.69 0.00 -0.81 5.32 -1.04 -1.04 -4.97 114.28 107.06 1bey n THR 71 Ca 0.06 -0.93 -0.29 0.00 -2.04 0.00 0.00 64.05 60.85 1bey n THR 71 Cb 0.53 1.21 0.23 0.00 -1.82 0.00 0.00 70.33 70.49 1bey n THR 71 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 1bey s MET 72 N 0.25 -0.79 0.00 -2.82 1.00 -1.26 -4.05 119.30 111.63 1bey s MET 72 Ca 0.26 0.52 0.00 0.00 0.00 0.00 0.00 55.69 56.46 1bey s MET 72 Cb 0.24 -1.60 0.00 0.00 0.00 0.00 0.00 34.83 33.47 1bey s MET 72 CO -0.14 -3.55 0.00 1.47 0.00 0.00 0.00 175.02 172.80 1bey n LEU 73 N -4.75 0.00 -3.80 -0.03 -0.00 -1.14 -5.01 117.00 102.28 1bey n LEU 73 Ca 0.06 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 55.94 1bey n LEU 73 Cb 0.57 0.00 -0.13 0.00 -0.00 0.00 0.00 43.42 43.85 1bey n LEU 73 CO 0.55 0.00 -0.22 0.68 -0.00 0.00 0.00 177.39 178.40 1bey s VAL 74 N -2.00 -0.02 -0.90 1.47 -7.23 -1.26 -3.02 120.40 107.44 1bey s VAL 74 Ca 0.00 0.07 -0.06 0.00 -1.81 0.00 0.00 61.98 60.18 1bey s VAL 74 Cb 0.00 -0.21 0.23 0.00 0.56 0.00 0.00 36.38 36.95 1bey s VAL 74 CO 0.00 0.03 0.81 -0.62 -0.31 0.00 0.00 175.10 175.01 1bey s ASP 75 N 0.49 6.36 0.45 4.85 2.15 -1.26 -4.90 116.67 124.81 1bey s ASP 75 Ca -0.03 -3.39 0.13 0.00 0.43 0.00 0.00 52.55 49.69 1bey s ASP 75 Cb -0.05 -2.03 0.72 0.00 -0.30 0.00 0.00 42.92 41.26 1bey s ASP 75 CO -0.02 -0.30 1.32 0.71 -0.17 0.00 0.00 175.17 176.70 1bey h THR 76 N 4.26 0.00 0.00 1.71 1.35 -1.97 0.65 112.91 118.92 1bey h THR 76 Ca 0.13 0.00 -0.17 0.00 -0.55 0.00 0.00 66.41 65.82 1bey h THR 76 Cb 0.89 0.29 -0.03 0.00 -1.73 0.00 0.00 68.15 67.58 1bey h THR 76 CO 0.86 0.00 -1.05 0.77 -0.25 0.00 0.00 175.52 175.84 1bey h SER 77 N 0.00 0.00 -0.28 5.36 4.64 -1.99 -3.32 113.55 117.95 1bey h SER 77 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1bey h SER 77 Cb 0.95 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 1bey h SER 77 CO 0.00 0.69 0.00 0.29 -0.87 0.00 0.00 176.83 176.94 1bey n LYS 78 N -3.11 2.69 -4.16 4.77 5.02 0.22 -5.01 118.16 118.57 1bey n LYS 78 Ca -0.05 -1.92 -0.31 0.00 -2.02 0.00 0.00 58.31 54.01 1bey n LYS 78 Cb 0.85 -1.23 -0.06 0.00 -0.02 0.00 0.00 35.03 34.57 1bey n LYS 78 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1bey n ASN 79 N 0.41 -0.26 0.00 4.39 3.02 -0.49 -4.84 115.26 117.50 1bey n ASN 79 Ca 0.10 -1.19 0.00 0.00 -0.03 0.00 0.00 54.58 53.46 1bey n ASN 79 Cb 0.39 -2.11 0.00 0.00 -0.61 0.00 0.00 39.78 37.46 1bey n ASN 79 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1bey n GLN 80 N -4.57 3.75 0.00 3.52 6.02 -1.25 0.49 117.38 125.35 1bey n GLN 80 Ca -0.29 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.70 1bey n GLN 80 Cb 0.68 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.94 1bey n GLN 80 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1bey n PHE 81 N 0.00 0.00 -1.49 1.08 7.35 -0.85 -4.55 117.46 118.99 1bey n PHE 81 Ca 0.00 0.00 -0.44 0.00 -0.76 0.00 0.00 57.45 56.25 1bey n PHE 81 Cb 0.00 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 39.82 1bey n PHE 81 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1bey n SER 82 N 0.00 -0.09 -4.08 -2.13 7.64 -1.17 -3.96 113.62 109.83 1bey n SER 82 Ca 0.00 1.08 -0.24 0.00 1.01 0.00 0.00 58.87 60.72 1bey n SER 82 Cb 0.00 -1.14 -0.16 0.00 -1.01 0.00 0.00 64.21 61.90 1bey n SER 82 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1bey s LEU 83 N 1.56 1.85 -0.07 -3.43 2.96 0.27 -2.87 118.68 118.94 1bey s LEU 83 Ca 0.61 -0.29 -0.01 0.00 -0.22 0.00 0.00 54.13 54.22 1bey s LEU 83 Cb -0.73 -0.81 0.03 0.00 0.50 0.00 0.00 46.19 45.18 1bey s LEU 83 CO 0.58 0.11 -0.01 -0.13 -1.32 0.00 0.00 176.35 175.59 1bey s ARG 84 N 0.15 0.71 -0.18 1.98 0.52 -1.26 -1.46 118.95 119.41 1bey s ARG 84 Ca -0.04 0.05 -0.04 0.00 -0.52 0.00 0.00 55.73 55.18 1bey s ARG 84 Cb -0.11 -1.01 -0.02 0.00 0.52 0.00 0.00 34.95 34.33 1bey s ARG 84 CO 0.02 -0.27 -0.03 -0.51 0.02 0.00 0.00 175.30 174.52 1bey s LEU 85 N 1.83 3.18 0.04 2.53 1.43 0.16 -2.49 118.68 125.36 1bey s LEU 85 Ca 0.03 -0.20 -0.02 0.00 -1.03 0.00 0.00 54.13 52.92 1bey s LEU 85 Cb -0.12 -1.78 -0.04 0.00 0.03 0.00 0.00 46.19 44.27 1bey s LEU 85 CO -0.05 0.11 0.22 -0.94 0.23 0.00 0.00 176.35 175.92 1bey s SER 86 N 0.70 6.38 -0.55 2.29 1.04 -1.21 -0.86 113.70 121.50 1bey s SER 86 Ca -0.02 0.34 -0.03 0.00 0.48 0.00 0.00 55.95 56.72 1bey s SER 86 Cb -0.14 -1.99 0.00 0.00 0.10 0.00 0.00 66.02 63.99 1bey s SER 86 CO 0.02 0.19 0.45 -1.20 0.98 0.00 0.00 173.24 173.68 1bey n SER 87 N 0.51 -3.71 -4.70 7.02 7.64 -1.23 -4.87 113.62 114.28 1bey n SER 87 Ca -0.07 -0.20 -0.44 0.00 1.01 0.00 0.00 58.87 59.17 1bey n SER 87 Cb 0.52 -2.30 -0.04 0.00 -1.01 0.00 0.00 64.21 61.38 1bey n SER 87 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1bey n VAL 88 N -3.53 0.04 -4.44 0.44 0.24 -1.22 -4.75 118.33 105.13 1bey n VAL 88 Ca -0.00 -0.01 -0.21 0.00 -2.04 0.00 0.00 64.34 62.08 1bey n VAL 88 Cb 0.53 -1.82 -0.11 0.00 -1.47 0.00 0.00 33.84 30.97 1bey n VAL 88 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1bey s THR 89 N 1.27 1.22 0.00 3.34 -4.23 -1.26 -3.10 115.64 112.89 1bey s THR 89 Ca 0.78 -2.02 0.09 0.00 -1.18 0.00 0.00 61.69 59.35 1bey s THR 89 Cb -0.58 -2.71 0.09 0.00 1.34 0.00 0.00 72.50 70.64 1bey s THR 89 CO 0.35 -0.07 1.11 0.00 -0.54 0.00 0.00 174.62 175.47 1bey n ALA 90 N -0.65 0.48 0.06 3.99 0.00 -1.26 -1.23 120.51 121.89 1bey n ALA 90 Ca -0.03 0.08 -0.20 0.00 0.00 0.00 0.00 53.44 53.29 1bey n ALA 90 Cb 0.66 -0.59 -0.13 0.00 0.00 0.00 0.00 19.45 19.39 1bey n ALA 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bey h ALA 91 N 0.92 -0.03 0.00 0.00 0.00 -1.94 -3.33 119.26 114.87 1bey h ALA 91 Ca 0.00 -0.70 -0.43 0.00 0.00 0.00 0.00 54.91 53.78 1bey h ALA 91 Cb 0.76 0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.65 1bey h ALA 91 CO 0.00 0.48 2.44 -0.25 0.00 0.00 0.00 179.25 181.91 1bey n ASP 92 N -4.03 6.14 -4.25 0.00 8.00 -0.37 -4.79 116.55 117.25 1bey n ASP 92 Ca -0.13 -2.40 -0.29 0.00 0.71 0.00 0.00 54.79 52.68 1bey n ASP 92 Cb 0.85 -1.27 -0.16 0.00 -0.02 0.00 0.00 41.12 40.52 1bey n ASP 92 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1bey s THR 93 N 2.51 1.84 -1.19 -3.53 2.01 -1.25 -4.79 115.64 111.25 1bey s THR 93 Ca 0.53 -0.98 0.00 0.00 0.31 0.00 0.00 61.69 61.55 1bey s THR 93 Cb 0.16 -1.54 0.00 0.00 0.01 0.00 0.00 72.50 71.13 1bey s THR 93 CO -0.04 0.52 0.00 0.00 -0.69 0.00 0.00 174.62 174.41 1bey n ALA 94 N 2.67 0.00 -3.72 7.40 0.00 -1.26 -3.32 120.51 122.28 1bey n ALA 94 Ca -0.16 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 52.95 1bey n ALA 94 Cb 0.52 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.81 1bey n ALA 94 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1bey s VAL 95 N -3.62 2.20 -0.25 0.00 -7.23 -0.53 -2.83 120.40 108.13 1bey s VAL 95 Ca 0.00 -0.92 -0.16 0.00 -1.81 0.00 0.00 61.98 59.08 1bey s VAL 95 Cb 0.00 -1.90 -0.03 0.00 0.56 0.00 0.00 36.38 35.01 1bey s VAL 95 CO 0.00 0.54 0.44 -0.31 -0.31 0.00 0.00 175.10 175.46 1bey s TYR 96 N 0.93 3.28 -0.04 2.82 2.02 -1.09 -1.64 117.35 123.63 1bey s TYR 96 Ca -0.04 0.54 -0.01 0.00 -0.37 0.00 0.00 57.07 57.19 1bey s TYR 96 Cb -0.15 -2.63 -0.04 0.00 -0.40 0.00 0.00 41.96 38.75 1bey s TYR 96 CO -0.04 -0.22 0.05 0.71 -1.57 0.00 0.00 175.55 174.48 1bey s TYR 97 N 2.05 3.24 -0.39 2.71 2.02 0.69 -3.81 117.35 123.86 1bey s TYR 97 Ca 0.18 0.21 0.01 0.00 -0.37 0.00 0.00 57.07 57.11 1bey s TYR 97 Cb -0.16 -1.76 0.11 0.00 -0.40 0.00 0.00 41.96 39.75 1bey s TYR 97 CO 0.09 0.53 0.14 0.00 -1.57 0.00 0.00 175.55 174.74 1bey s ALA 99 N 0.87 3.45 -0.55 0.00 0.00 -0.97 -2.70 121.76 121.86 1bey s ALA 99 Ca 0.11 -0.24 -0.05 0.00 0.00 0.00 0.00 51.96 51.78 1bey s ALA 99 Cb -0.21 -2.58 0.14 0.00 0.00 0.00 0.00 23.12 20.48 1bey s ALA 99 CO -0.06 0.23 0.39 0.50 0.00 0.00 0.00 175.76 176.82 1bey s ARG 100 N -3.37 2.49 -0.01 0.00 3.00 0.43 -2.59 118.95 118.90 1bey s ARG 100 Ca 0.50 -2.17 -0.36 0.00 -1.00 0.00 0.00 55.73 52.70 1bey s ARG 100 Cb -0.11 -3.80 -0.14 0.00 0.00 0.00 0.00 34.95 30.91 1bey s ARG 100 CO 0.26 -1.16 1.66 -1.91 0.00 0.00 0.00 175.30 174.15 1bey n GLU 101 N 4.14 1.82 0.00 5.12 2.13 0.56 -3.75 120.64 130.66 1bey n GLU 101 Ca 0.02 0.66 0.00 0.00 0.66 0.00 0.00 57.16 58.50 1bey n GLU 101 Cb 0.40 -2.42 0.00 0.00 0.27 0.00 0.00 31.44 29.69 1bey n GLU 101 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1bey n GLY 102 N 3.71 0.58 2.77 8.31 0.00 -1.26 -3.29 105.19 116.00 1bey n GLY 102 Ca 0.21 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 1bey n GLY 102 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1bey s HIS 103 N 2.36 1.29 0.00 1.61 3.76 -1.26 -4.69 115.29 118.36 1bey s HIS 103 Ca 0.00 -1.05 0.00 0.00 -0.15 0.00 0.00 55.06 53.86 1bey s HIS 103 Cb 0.00 -1.15 0.00 0.00 1.11 0.00 0.00 32.58 32.54 1bey s HIS 103 CO 0.00 -0.65 0.00 -2.37 -0.85 0.00 0.00 174.74 170.87 1bey n THR 104 N 4.98 0.00 -0.40 1.30 5.66 -1.26 -4.16 114.28 120.39 1bey n THR 104 Ca -0.09 0.00 0.39 0.00 -3.05 0.00 0.00 64.05 61.30 1bey n THR 104 Cb 0.46 0.00 0.73 0.00 -1.55 0.00 0.00 70.33 69.97 1bey n THR 104 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1bey h ALA 105 N 0.00 3.27 -2.10 1.79 0.00 -1.99 -3.41 119.26 116.83 1bey h ALA 105 Ca 0.00 -0.05 -0.54 0.00 0.00 0.00 0.00 54.91 54.32 1bey h ALA 105 Cb 0.00 0.10 0.22 0.00 0.00 0.00 0.00 17.79 18.12 1bey h ALA 105 CO 0.00 -1.78 -1.15 0.00 0.00 0.00 0.00 179.25 176.32 1bey n ALA 106 N -2.70 -3.86 -2.41 0.00 0.00 -1.26 -4.58 120.51 105.71 1bey n ALA 106 Ca 0.30 -0.62 -0.33 0.00 0.00 0.00 0.00 53.44 52.79 1bey n ALA 106 Cb 1.51 -1.50 -0.06 0.00 0.00 0.00 0.00 19.45 19.40 1bey n ALA 106 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1bey s PRO 107 N -2.83 3.86 -0.13 0.00 0.04 -1.26 -4.95 135.00 129.72 1bey s PRO 107 Ca 0.50 0.34 -0.00 0.00 0.04 0.00 0.00 61.00 61.88 1bey s PRO 107 Cb -0.21 -2.79 0.00 0.00 0.04 0.00 0.00 34.50 31.54 1bey s PRO 107 CO 0.74 0.40 0.01 1.19 0.04 0.00 0.00 177.00 179.38 1bey n PHE 108 N 0.32 -1.72 -0.01 0.56 3.72 -1.26 -4.92 117.46 114.15 1bey n PHE 108 Ca -0.02 0.76 -0.00 0.00 -0.05 0.00 0.00 57.45 58.13 1bey n PHE 108 Cb 0.52 -2.59 -0.02 0.00 -0.94 0.00 0.00 39.48 36.45 1bey n PHE 108 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1bey n ASP 109 N 0.28 4.38 -3.83 4.37 5.68 -1.25 -4.95 116.55 121.24 1bey n ASP 109 Ca 0.00 0.00 -0.29 0.00 -0.50 0.00 0.00 54.79 54.00 1bey n ASP 109 Cb 0.01 0.79 -0.16 0.00 -1.14 0.00 0.00 41.12 40.61 1bey n ASP 109 CO 0.00 0.00 0.00 -0.31 -1.33 0.00 0.00 177.20 175.56 1bey s TYR 110 N -2.11 1.70 0.23 2.11 1.51 -1.26 -5.00 117.35 114.52 1bey s TYR 110 Ca -0.01 -1.34 0.03 0.00 -1.01 0.00 0.00 57.07 54.74 1bey s TYR 110 Cb 0.01 -1.34 -0.03 0.00 -0.11 0.00 0.00 41.96 40.49 1bey s TYR 110 CO 0.11 -0.71 0.37 -1.58 -1.11 0.00 0.00 175.55 172.63 1bey s TRP 111 N 1.63 3.47 0.00 2.71 0.52 -1.26 -0.43 118.94 125.58 1bey s TRP 111 Ca -0.02 0.11 0.00 0.00 0.02 0.00 0.00 56.10 56.21 1bey s TRP 111 Cb -0.18 -1.67 0.00 0.00 -1.15 0.00 0.00 33.47 30.47 1bey s TRP 111 CO -0.09 0.40 0.00 0.41 0.02 0.00 0.00 176.95 177.70 1bey n GLY 112 N -1.17 -0.02 0.00 0.98 0.00 -1.10 -4.72 105.19 99.15 1bey n GLY 112 Ca -0.07 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.45 1bey n GLY 112 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1bey n GLN 113 N 0.00 0.00 -3.59 1.61 6.02 -1.21 -4.94 117.38 115.28 1bey n GLN 113 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.91 1bey n GLN 113 Cb 0.00 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.22 1bey n GLN 113 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1bey s GLY 114 N 0.00 -0.22 -0.25 1.08 0.00 -1.26 -4.92 107.32 101.75 1bey s GLY 114 Ca 0.00 2.04 -0.03 0.00 0.00 0.00 0.00 44.72 46.73 1bey s GLY 114 CO 0.00 0.92 0.20 -0.45 0.00 0.00 0.00 173.10 173.78 1bey s SER 115 N -1.34 2.18 -0.07 1.64 0.15 -1.25 -4.85 113.70 110.15 1bey s SER 115 Ca 0.02 -0.73 -0.30 0.00 0.70 0.00 0.00 55.95 55.65 1bey s SER 115 Cb -0.01 0.15 -0.03 0.00 -1.71 0.00 0.00 66.02 64.42 1bey s SER 115 CO -0.02 -0.38 1.16 -0.22 1.20 0.00 0.00 173.24 174.98 1bey s LEU 116 N 2.25 4.26 -0.51 3.45 2.96 -1.26 -2.66 118.68 127.17 1bey s LEU 116 Ca 0.08 1.74 -0.04 0.00 -0.22 0.00 0.00 54.13 55.68 1bey s LEU 116 Cb -0.15 -3.56 0.13 0.00 0.50 0.00 0.00 46.19 43.11 1bey s LEU 116 CO -0.25 -0.56 0.33 -0.69 -1.32 0.00 0.00 176.35 173.86 1bey s VAL 117 N 2.24 3.67 0.04 1.68 1.01 -1.13 -4.53 120.40 123.38 1bey s VAL 117 Ca 0.54 -2.36 -0.21 0.00 0.00 0.00 0.00 61.98 59.94 1bey s VAL 117 Cb -0.23 -3.44 -0.06 0.00 0.00 0.00 0.00 36.38 32.65 1bey s VAL 117 CO 0.20 -0.79 0.63 -0.89 0.00 0.00 0.00 175.10 174.26 1bey s THR 118 N 0.70 4.78 -0.31 3.92 2.01 0.18 -4.04 115.64 122.88 1bey s THR 118 Ca 0.11 1.35 -0.09 0.00 0.31 0.00 0.00 61.69 63.37 1bey s THR 118 Cb -0.22 -3.97 -0.00 0.00 0.01 0.00 0.00 72.50 68.31 1bey s THR 118 CO -0.04 0.45 0.14 -0.69 -0.69 0.00 0.00 174.62 173.80 1bey s VAL 119 N -0.50 4.48 -0.21 3.82 1.01 -1.26 0.98 120.40 128.72 1bey s VAL 119 Ca 0.32 -0.47 -0.19 0.00 0.00 0.00 0.00 61.98 61.64 1bey s VAL 119 Cb -0.19 -3.29 0.06 0.00 0.00 0.00 0.00 36.38 32.95 1bey s VAL 119 CO 0.19 0.07 0.57 -0.94 0.00 0.00 0.00 175.10 174.99 1bey s SER 120 N 1.59 -0.61 0.00 3.32 1.04 -1.04 -4.63 113.70 113.38 1bey s SER 120 Ca 0.04 1.15 0.00 0.00 0.48 0.00 0.00 55.95 57.62 1bey s SER 120 Cb -0.17 1.15 0.00 0.00 0.10 0.00 0.00 66.02 67.10 1bey s SER 120 CO 0.05 -0.20 0.48 -1.20 0.98 0.00 0.00 173.24 173.35 1bey n SER 121 N 2.92 0.82 -1.29 7.02 7.64 -1.26 -4.07 113.62 125.40 1bey n SER 121 Ca -0.14 -1.77 0.00 0.00 1.01 0.00 0.00 58.87 57.97 1bey n SER 121 Cb 0.56 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 1bey n SER 121 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1bey n ALA 122 N 0.02 0.00 -3.38 -0.43 0.00 -1.26 -5.04 120.51 110.41 1bey n ALA 122 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1bey n ALA 122 Cb 0.21 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.64 1bey n ALA 122 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1bey s SER 123 N -1.00 0.30 0.76 0.00 1.04 -1.26 -4.94 113.70 108.59 1bey s SER 123 Ca 0.00 -1.19 0.00 0.00 0.48 0.00 0.00 55.95 55.24 1bey s SER 123 Cb 0.00 0.73 0.00 0.00 0.10 0.00 0.00 66.02 66.85 1bey s SER 123 CO 0.00 -1.44 0.00 0.35 0.98 0.00 0.00 173.24 173.13 1bey n THR 124 N -0.51 0.00 0.00 2.02 -2.24 -1.25 -4.35 114.28 107.94 1bey n THR 124 Ca -0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 1bey n THR 124 Cb 0.61 -0.65 0.00 0.00 -2.10 0.00 0.00 70.33 68.19 1bey n THR 124 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1bey n LYS 125 N -1.27 0.00 -2.03 -0.78 3.00 0.16 -4.62 118.16 112.62 1bey n LYS 125 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.89 1bey n LYS 125 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.00 1bey n LYS 125 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1bey s GLY 126 N 0.00 1.64 0.70 3.14 0.00 -1.26 -2.80 107.32 108.74 1bey s GLY 126 Ca 0.00 1.08 -0.14 0.00 0.00 0.00 0.00 44.72 45.65 1bey s GLY 126 CO 0.00 2.80 1.13 2.56 0.00 0.00 0.00 173.10 179.59 1bey s PRO 127 N 2.75 2.52 -0.15 2.90 0.04 -1.26 -4.68 135.00 137.12 1bey s PRO 127 Ca 0.71 1.48 0.02 0.00 0.04 0.00 0.00 61.00 63.24 1bey s PRO 127 Cb -0.36 -1.91 0.02 0.00 0.04 0.00 0.00 34.50 32.28 1bey s PRO 127 CO 0.30 -1.49 -0.19 -1.12 0.04 0.00 0.00 177.00 174.54 1bey s SER 128 N -2.50 2.94 -0.25 6.66 0.01 0.15 -4.89 113.70 115.82 1bey s SER 128 Ca 0.68 -0.57 -0.10 0.00 1.31 0.00 0.00 55.95 57.28 1bey s SER 128 Cb -0.23 -1.35 -0.05 0.00 0.21 0.00 0.00 66.02 64.60 1bey s SER 128 CO 0.44 0.03 0.14 -0.69 0.41 0.00 0.00 173.24 173.57 1bey s VAL 129 N 1.07 5.11 -0.26 3.43 1.01 -1.21 0.42 120.40 129.97 1bey s VAL 129 Ca -0.02 0.10 -0.04 0.00 0.00 0.00 0.00 61.98 62.02 1bey s VAL 129 Cb -0.14 -3.39 0.02 0.00 0.00 0.00 0.00 36.38 32.86 1bey s VAL 129 CO -0.06 0.33 -0.01 -0.36 0.00 0.00 0.00 175.10 175.00 1bey s PHE 130 N 1.28 3.09 -0.66 5.22 0.08 0.40 -4.89 117.98 122.51 1bey s PHE 130 Ca 0.07 -1.32 -0.27 0.00 0.12 0.00 0.00 56.93 55.53 1bey s PHE 130 Cb -0.14 -2.13 -0.12 0.00 -0.57 0.00 0.00 43.02 40.05 1bey s PHE 130 CO 0.06 -0.66 2.49 -0.35 -0.10 0.00 0.00 175.22 176.65 1bey n PRO 131 N 4.75 0.71 -2.67 0.24 -0.04 -1.26 -1.80 135.00 134.93 1bey n PRO 131 Ca -0.16 -0.06 -0.42 0.00 -0.04 0.00 0.00 63.50 62.82 1bey n PRO 131 Cb 0.48 -2.90 -0.03 0.00 -0.04 0.00 0.00 33.50 31.00 1bey n PRO 131 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1bey s LEU 132 N 11.29 3.65 0.30 1.53 1.43 -1.20 -4.97 118.68 130.71 1bey s LEU 132 Ca 1.08 -0.35 -0.28 0.00 -1.03 0.00 0.00 54.13 53.55 1bey s LEU 132 Cb -0.47 -2.77 -0.09 0.00 0.03 0.00 0.00 46.19 42.88 1bey s LEU 132 CO 0.32 -1.54 1.06 0.00 0.23 0.00 0.00 176.35 176.42 1bey s ALA 133 N 4.85 3.33 0.51 4.21 0.00 -1.26 -3.23 121.76 130.16 1bey s ALA 133 Ca 0.34 0.80 0.00 0.00 0.00 0.00 0.00 51.96 53.10 1bey s ALA 133 Cb -0.10 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.73 1bey s ALA 133 CO 0.18 -0.09 0.00 -0.35 0.00 0.00 0.00 175.76 175.50 1bey n PRO 134 N 0.99 0.83 -3.71 0.00 -0.04 -1.26 -5.00 135.00 126.81 1bey n PRO 134 Ca -0.00 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.32 1bey n PRO 134 Cb 0.46 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.84 1bey n PRO 134 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bey s ALA 144 N -2.21 -1.02 0.23 0.55 0.00 -1.20 -5.07 121.76 113.03 1bey s ALA 144 Ca 0.00 0.65 0.12 0.00 0.00 0.00 0.00 51.96 52.73 1bey s ALA 144 Cb 0.00 -0.05 -0.05 0.00 0.00 0.00 0.00 23.12 23.02 1bey s ALA 144 CO 0.00 -0.27 -0.22 0.00 0.00 0.00 0.00 175.76 175.26 1bey s ALA 145 N -1.07 2.61 0.13 0.00 0.00 -1.26 0.06 121.76 122.23 1bey s ALA 145 Ca -0.11 -1.73 0.02 0.00 0.00 0.00 0.00 51.96 50.13 1bey s ALA 145 Cb -0.04 -0.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 1bey s ALA 145 CO 0.05 0.37 -0.03 -0.51 0.00 0.00 0.00 175.76 175.64 1bey s LEU 146 N -2.99 2.32 0.00 0.00 1.43 -1.26 -4.90 118.68 113.28 1bey s LEU 146 Ca 0.24 -1.08 -0.01 0.00 -1.03 0.00 0.00 54.13 52.25 1bey s LEU 146 Cb -0.07 -0.04 0.00 0.00 0.03 0.00 0.00 46.19 46.11 1bey s LEU 146 CO 0.12 -0.52 0.06 0.61 0.23 0.00 0.00 176.35 176.85 1bey n GLY 147 N -0.12 1.35 3.34 -3.19 0.00 -1.20 -0.20 105.19 105.16 1bey n GLY 147 Ca -0.10 -0.95 -0.14 0.00 0.00 0.00 0.00 46.02 44.84 1bey n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bey s LEU 149 N -0.42 4.31 -0.72 0.00 2.96 -0.74 -2.37 118.68 121.70 1bey s LEU 149 Ca -0.06 -0.89 -0.13 0.00 -0.22 0.00 0.00 54.13 52.84 1bey s LEU 149 Cb -0.03 -1.95 0.19 0.00 0.50 0.00 0.00 46.19 44.90 1bey s LEU 149 CO 0.03 -0.29 0.65 -0.69 -1.32 0.00 0.00 176.35 174.73 1bey s VAL 150 N 1.51 5.26 -0.11 1.68 1.01 -1.07 0.15 120.40 128.84 1bey s VAL 150 Ca 0.02 -2.25 -0.04 0.00 0.00 0.00 0.00 61.98 59.71 1bey s VAL 150 Cb -0.18 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 31.86 1bey s VAL 150 CO 0.05 -0.96 0.05 -0.75 0.00 0.00 0.00 175.10 173.48 1bey s LYS 151 N 0.55 3.23 -0.26 2.72 2.20 1.44 -3.03 119.74 126.59 1bey s LYS 151 Ca 0.14 -0.32 -0.01 0.00 -0.36 0.00 0.00 55.97 55.41 1bey s LYS 151 Cb -0.17 -2.95 0.00 0.00 -1.51 0.00 0.00 37.83 33.20 1bey s LYS 151 CO -0.05 0.67 0.03 -0.25 -0.36 0.00 0.00 175.35 175.39 1bey n ASP 152 N 2.27 -7.78 -3.87 1.43 8.00 -1.03 0.34 116.55 115.90 1bey n ASP 152 Ca -0.19 1.22 -0.09 0.00 0.71 0.00 0.00 54.79 56.44 1bey n ASP 152 Cb 0.54 -4.69 -0.04 0.00 -0.02 0.00 0.00 41.12 36.91 1bey n ASP 152 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1bey s TYR 153 N -1.57 0.31 -0.30 1.24 -0.85 -1.08 -4.14 117.35 110.97 1bey s TYR 153 Ca 0.01 -0.70 -0.26 0.00 -0.52 0.00 0.00 57.07 55.61 1bey s TYR 153 Cb -0.00 0.28 0.19 0.00 0.38 0.00 0.00 41.96 42.81 1bey s TYR 153 CO 0.66 -1.07 1.44 0.12 -1.52 0.00 0.00 175.55 175.18 1bey s PHE 154 N -3.85 -0.04 0.78 -3.49 2.19 -1.12 -2.23 117.98 110.21 1bey s PHE 154 Ca 0.21 0.11 -0.09 0.00 0.33 0.00 0.00 56.93 57.49 1bey s PHE 154 Cb -0.02 0.49 0.10 0.00 -1.31 0.00 0.00 43.02 42.28 1bey s PHE 154 CO 0.10 -0.02 1.11 -1.25 1.83 0.00 0.00 175.22 176.98 1bey s PRO 155 N -0.13 1.78 0.83 10.12 0.04 -1.26 0.37 135.00 146.74 1bey s PRO 155 Ca 0.08 -0.32 -0.12 0.00 0.04 0.00 0.00 61.00 60.68 1bey s PRO 155 Cb -0.04 -2.08 0.09 0.00 0.04 0.00 0.00 34.50 32.51 1bey s PRO 155 CO -0.15 -1.57 1.19 -1.21 0.04 0.00 0.00 177.00 175.30 1bey s GLU 156 N -5.43 1.78 0.19 4.56 2.02 -1.26 -4.73 118.70 115.83 1bey s GLU 156 Ca 0.64 0.08 0.04 0.00 0.02 0.00 0.00 54.97 55.75 1bey s GLU 156 Cb -0.09 -1.93 -0.03 0.00 0.10 0.00 0.00 34.13 32.18 1bey s GLU 156 CO 0.47 -1.72 0.29 -1.25 0.02 0.00 0.00 175.26 173.08 1bey s PRO 157 N -5.59 3.35 -0.11 0.39 0.05 -1.26 -4.82 135.00 127.02 1bey s PRO 157 Ca 0.63 -0.71 -0.01 0.00 0.05 0.00 0.00 61.00 60.96 1bey s PRO 157 Cb -0.11 -2.88 -0.03 0.00 0.05 0.00 0.00 34.50 31.54 1bey s PRO 157 CO 0.50 0.48 -0.06 0.54 0.05 0.00 0.00 177.00 178.50 1bey s VAL 158 N -1.85 3.70 -0.16 -0.36 0.11 -1.26 -4.60 120.40 115.98 1bey s VAL 158 Ca 0.34 -0.46 0.00 0.00 -2.93 0.00 0.00 61.98 58.94 1bey s VAL 158 Cb -0.10 -2.56 -0.00 0.00 -1.53 0.00 0.00 36.38 32.19 1bey s VAL 158 CO 0.28 0.55 -0.15 0.42 -3.33 0.00 0.00 175.10 172.87 1bey s THR 159 N -0.24 2.63 -0.03 5.04 -4.23 -0.32 -4.97 115.64 113.52 1bey s THR 159 Ca 0.03 -0.78 0.06 0.00 -1.18 0.00 0.00 61.69 59.82 1bey s THR 159 Cb -0.13 -2.11 -0.01 0.00 1.34 0.00 0.00 72.50 71.59 1bey s THR 159 CO 0.03 0.51 -0.21 0.54 -0.54 0.00 0.00 174.62 174.95 1bey s VAL 160 N 0.86 1.71 -0.09 2.29 0.11 -1.26 0.82 120.40 124.85 1bey s VAL 160 Ca -0.04 -0.90 -0.04 0.00 -2.93 0.00 0.00 61.98 58.07 1bey s VAL 160 Cb -0.15 -1.44 0.04 0.00 -1.53 0.00 0.00 36.38 33.30 1bey s VAL 160 CO -0.01 0.48 0.19 -0.94 -3.33 0.00 0.00 175.10 171.50 1bey s SER 161 N -0.28 -0.06 0.27 3.54 1.04 -1.01 -4.97 113.70 112.23 1bey s SER 161 Ca 0.02 0.40 -0.29 0.00 0.48 0.00 0.00 55.95 56.57 1bey s SER 161 Cb -0.10 0.31 -0.09 0.00 0.10 0.00 0.00 66.02 66.23 1bey s SER 161 CO 0.01 -0.17 0.98 0.26 0.98 0.00 0.00 173.24 175.31 1bey s TRP 162 N 1.38 3.81 -1.48 5.02 0.52 -1.26 -2.73 118.94 124.20 1bey s TRP 162 Ca -0.08 1.83 -0.13 0.00 0.02 0.00 0.00 56.10 57.74 1bey s TRP 162 Cb -0.11 -3.05 0.10 0.00 -1.15 0.00 0.00 33.47 29.26 1bey s TRP 162 CO -0.07 0.12 0.70 0.09 0.02 0.00 0.00 176.95 177.81 1bey n ASN 163 N 1.19 -3.89 -2.61 2.95 3.02 -1.19 -2.00 115.26 112.73 1bey n ASN 163 Ca -0.01 -0.67 -0.15 0.00 -0.03 0.00 0.00 54.58 53.72 1bey n ASN 163 Cb 0.47 -3.18 -0.03 0.00 -0.61 0.00 0.00 39.78 36.44 1bey n ASN 163 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1bey n SER 164 N -2.53 -0.86 0.00 6.41 2.88 -1.25 -3.33 113.62 114.94 1bey n SER 164 Ca 0.03 -0.32 0.00 0.00 -1.33 0.00 0.00 58.87 57.25 1bey n SER 164 Cb 0.52 -0.78 0.00 0.00 -0.75 0.00 0.00 64.21 63.20 1bey n SER 164 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1bey n GLY 165 N -0.61 -0.02 0.00 0.46 0.00 -0.84 -5.04 105.19 99.13 1bey n GLY 165 Ca 0.04 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1bey n GLY 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bey n ALA 166 N -0.54 0.00 -2.42 4.61 0.00 -1.21 -4.23 120.51 116.71 1bey n ALA 166 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1bey n ALA 166 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 1bey n ALA 166 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1bey s LEU 167 N 0.00 3.73 0.00 0.00 2.96 -1.26 -4.93 118.68 119.18 1bey s LEU 167 Ca 0.00 0.95 0.00 0.00 -0.22 0.00 0.00 54.13 54.86 1bey s LEU 167 Cb 0.00 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.15 1bey s LEU 167 CO 0.00 -1.24 0.00 0.41 -1.32 0.00 0.00 176.35 174.20 1bey n THR 168 N 6.63 0.00 -1.14 3.68 -1.04 -1.26 -4.64 114.28 116.51 1bey n THR 168 Ca 0.15 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 62.14 1bey n THR 168 Cb 0.47 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.99 1bey n THR 168 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1bey n SER 169 N 0.00 -1.17 0.00 8.00 7.64 -1.26 -4.16 113.62 122.67 1bey n SER 169 Ca 0.00 0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.92 1bey n SER 169 Cb 0.00 -0.30 0.00 0.00 -1.01 0.00 0.00 64.21 62.90 1bey n SER 169 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bey n GLY 170 N 0.45 0.66 3.82 0.23 0.00 -1.26 -5.06 105.19 104.03 1bey n GLY 170 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 1bey n GLY 170 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bey s VAL 171 N 0.00 4.59 -0.41 1.61 1.01 -1.26 -2.17 120.40 123.77 1bey s VAL 171 Ca 0.00 1.21 0.05 0.00 0.00 0.00 0.00 61.98 63.23 1bey s VAL 171 Cb 0.00 -3.79 0.18 0.00 0.00 0.00 0.00 36.38 32.77 1bey s VAL 171 CO 0.00 0.09 0.37 1.41 0.00 0.00 0.00 175.10 176.96 1bey n HIS 172 N 0.39 -0.91 -2.77 5.22 8.25 0.36 -4.93 115.22 120.83 1bey n HIS 172 Ca -0.00 -3.31 -0.43 0.00 -0.26 0.00 0.00 57.72 53.72 1bey n HIS 172 Cb 0.52 0.20 -0.03 0.00 1.12 0.00 0.00 29.99 31.80 1bey n HIS 172 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1bey s THR 173 N -0.09 4.51 1.10 1.59 2.01 -1.26 -2.43 115.64 121.06 1bey s THR 173 Ca 0.33 1.15 -0.14 0.00 0.31 0.00 0.00 61.69 63.35 1bey s THR 173 Cb 0.06 -4.39 0.24 0.00 0.01 0.00 0.00 72.50 68.41 1bey s THR 173 CO -0.19 -0.65 1.07 -0.36 -0.69 0.00 0.00 174.62 173.81 1bey s PHE 174 N 3.66 1.54 0.00 4.92 0.08 -1.26 -4.97 117.98 121.96 1bey s PHE 174 Ca 0.40 0.92 0.00 0.00 0.12 0.00 0.00 56.93 58.36 1bey s PHE 174 Cb -0.11 -3.24 0.00 0.00 -0.57 0.00 0.00 43.02 39.10 1bey s PHE 174 CO 0.21 -3.43 0.00 -2.30 -0.10 0.00 0.00 175.22 169.61 1bey n PRO 175 N -4.54 0.00 -3.62 0.24 -0.02 -1.26 -4.74 135.00 121.06 1bey n PRO 175 Ca 0.06 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.52 1bey n PRO 175 Cb 0.57 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 34.03 1bey n PRO 175 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1bey s ALA 176 N -2.60 -2.19 0.01 3.55 0.00 -1.26 -4.63 121.76 114.64 1bey s ALA 176 Ca 0.00 1.63 -0.05 0.00 0.00 0.00 0.00 51.96 53.53 1bey s ALA 176 Cb 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 23.12 22.93 1bey s ALA 176 CO 0.00 -0.65 0.09 0.14 0.00 0.00 0.00 175.76 175.34 1bey s VAL 177 N -2.20 0.10 -0.33 0.00 -7.23 -1.24 -4.94 120.40 104.56 1bey s VAL 177 Ca 0.11 -0.81 -0.11 0.00 -1.81 0.00 0.00 61.98 59.37 1bey s VAL 177 Cb 0.00 -0.47 -0.01 0.00 0.56 0.00 0.00 36.38 36.47 1bey s VAL 177 CO -0.04 -0.44 0.19 -0.22 -0.31 0.00 0.00 175.10 174.28 1bey s LEU 178 N -1.53 4.33 0.58 1.32 2.96 -1.26 -1.05 118.68 124.04 1bey s LEU 178 Ca -0.14 -0.55 -0.17 0.00 -0.22 0.00 0.00 54.13 53.06 1bey s LEU 178 Cb -0.07 -2.05 -0.04 0.00 0.50 0.00 0.00 46.19 44.53 1bey s LEU 178 CO 0.00 -0.23 1.07 -1.10 -1.32 0.00 0.00 176.35 174.77 1bey s GLN 179 N 1.64 3.32 0.49 1.98 -0.21 0.86 -4.81 119.66 122.93 1bey s GLN 179 Ca 0.05 1.29 0.26 0.00 0.02 0.00 0.00 55.36 56.98 1bey s GLN 179 Cb -0.17 -2.03 1.33 0.00 1.00 0.00 0.00 33.01 33.14 1bey s GLN 179 CO 0.08 -0.82 1.88 0.77 -2.12 0.00 0.00 175.29 175.07 1bey h SER 180 N 0.61 0.15 0.00 5.90 0.02 -1.98 3.99 113.55 122.25 1bey h SER 180 Ca -0.47 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 1bey h SER 180 Cb 1.23 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.76 1bey h SER 180 CO 0.57 0.06 0.23 0.77 -1.14 0.00 0.00 176.83 177.32 1bey h SER 181 N 0.15 0.00 0.00 3.07 4.64 -2.02 -3.42 113.55 115.97 1bey h SER 181 Ca 0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.76 1bey h SER 181 Cb 1.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.59 1bey h SER 181 CO -0.08 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.49 1bey n GLY 182 N -1.24 0.63 3.43 -0.77 0.00 1.31 -5.05 105.19 103.50 1bey n GLY 182 Ca -0.02 -0.74 -0.29 0.00 0.00 0.00 0.00 46.02 44.97 1bey n GLY 182 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bey s LEU 183 N 0.00 2.49 0.50 0.99 1.43 -0.86 -4.80 118.68 118.43 1bey s LEU 183 Ca 0.00 -0.64 -0.18 0.00 -1.03 0.00 0.00 54.13 52.28 1bey s LEU 183 Cb 0.00 -1.38 -0.08 0.00 0.03 0.00 0.00 46.19 44.76 1bey s LEU 183 CO 0.00 0.19 0.99 -0.31 0.23 0.00 0.00 176.35 177.44 1bey s TYR 184 N -1.07 3.33 -0.29 0.29 2.02 -0.95 0.30 117.35 120.98 1bey s TYR 184 Ca 0.16 1.52 -0.02 0.00 -0.37 0.00 0.00 57.07 58.35 1bey s TYR 184 Cb -0.10 -2.85 0.19 0.00 -0.40 0.00 0.00 41.96 38.80 1bey s TYR 184 CO 0.07 -0.40 0.79 0.45 -1.57 0.00 0.00 175.55 174.89 1bey s SER 185 N -2.70 -1.09 0.49 2.29 0.15 -0.22 -2.45 113.70 110.16 1bey s SER 185 Ca 0.61 0.23 0.08 0.00 0.70 0.00 0.00 55.95 57.56 1bey s SER 185 Cb -0.11 1.73 0.02 0.00 -1.71 0.00 0.00 66.02 65.96 1bey s SER 185 CO 0.26 -0.20 0.50 -1.48 1.20 0.00 0.00 173.24 173.52 1bey s LEU 186 N 2.89 3.18 -0.28 3.45 0.05 -1.17 -3.68 118.68 123.12 1bey s LEU 186 Ca 0.16 -0.86 0.01 0.00 0.05 0.00 0.00 54.13 53.48 1bey s LEU 186 Cb -0.08 -1.80 0.16 0.00 -2.05 0.00 0.00 46.19 42.42 1bey s LEU 186 CO -0.23 -0.94 0.46 -0.94 -0.55 0.00 0.00 176.35 174.15 1bey s SER 187 N -4.31 -0.24 0.05 1.48 1.04 -1.26 -2.58 113.70 107.87 1bey s SER 187 Ca 0.48 0.08 -0.31 0.00 0.48 0.00 0.00 55.95 56.68 1bey s SER 187 Cb -0.04 1.42 -0.06 0.00 0.10 0.00 0.00 66.02 67.44 1bey s SER 187 CO 0.29 -0.32 1.23 -0.55 0.98 0.00 0.00 173.24 174.88 1bey s SER 188 N 2.64 7.03 -0.01 7.02 0.15 -1.00 -4.10 113.70 125.43 1bey s SER 188 Ca 0.12 2.03 0.02 0.00 0.70 0.00 0.00 55.95 58.82 1bey s SER 188 Cb -0.13 -2.58 -0.00 0.00 -1.71 0.00 0.00 66.02 61.60 1bey s SER 188 CO -0.24 -0.52 -0.08 -0.69 1.20 0.00 0.00 173.24 172.91 1bey s VAL 189 N 1.31 0.69 -0.40 4.45 1.01 -1.02 0.86 120.40 127.30 1bey s VAL 189 Ca 0.59 -0.34 0.03 0.00 0.00 0.00 0.00 61.98 62.26 1bey s VAL 189 Cb -0.30 -0.60 0.16 0.00 0.00 0.00 0.00 36.38 35.65 1bey s VAL 189 CO 0.28 0.21 0.33 0.54 0.00 0.00 0.00 175.10 176.46 1bey s VAL 190 N 0.00 0.13 0.08 2.92 0.11 0.71 0.14 120.40 124.49 1bey s VAL 190 Ca 0.00 -2.12 -0.36 0.00 -2.93 0.00 0.00 61.98 56.58 1bey s VAL 190 Cb -0.06 -1.08 -0.19 0.00 -1.53 0.00 0.00 36.38 33.53 1bey s VAL 190 CO -0.00 -1.03 0.91 0.35 -3.33 0.00 0.00 175.10 172.00 1bey n THR 191 N 3.33 0.70 -4.49 5.04 -2.24 -0.92 -4.14 114.28 111.56 1bey n THR 191 Ca 0.22 -0.18 -0.24 0.00 -2.27 0.00 0.00 64.05 61.59 1bey n THR 191 Cb 0.45 -0.09 -0.10 0.00 -2.10 0.00 0.00 70.33 68.49 1bey n THR 191 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1bey s VAL 192 N -0.32 2.17 0.27 2.28 -7.23 0.11 -4.78 120.40 112.90 1bey s VAL 192 Ca 0.81 -2.25 -0.30 0.00 -1.81 0.00 0.00 61.98 58.42 1bey s VAL 192 Cb -1.12 -2.47 -0.13 0.00 0.56 0.00 0.00 36.38 33.22 1bey s VAL 192 CO 0.56 -0.30 1.45 -2.65 -0.31 0.00 0.00 175.10 173.85 1bey n PRO 193 N -0.68 2.25 0.00 4.82 -0.02 -1.26 -3.26 135.00 136.85 1bey n PRO 193 Ca -0.05 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 1bey n PRO 193 Cb 0.62 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 1bey n PRO 193 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1bey n SER 194 N 1.97 0.00 -4.50 2.55 7.64 -1.26 -3.72 113.62 116.29 1bey n SER 194 Ca 0.10 0.54 -0.41 0.00 1.01 0.00 0.00 58.87 60.11 1bey n SER 194 Cb 0.34 -0.22 -0.11 0.00 -1.01 0.00 0.00 64.21 63.21 1bey n SER 194 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1bey s SER 195 N -2.65 6.02 0.00 6.43 0.01 -1.26 -4.66 113.70 117.59 1bey s SER 195 Ca 0.00 -0.56 0.00 0.00 1.31 0.00 0.00 55.95 56.70 1bey s SER 195 Cb 0.00 -2.13 0.00 0.00 0.21 0.00 0.00 66.02 64.10 1bey s SER 195 CO 0.00 -0.29 0.00 -1.54 0.41 0.00 0.00 173.24 171.82 1bey n SER 196 N 5.11 0.00 -2.67 2.44 3.41 -1.24 -5.05 113.62 115.62 1bey n SER 196 Ca -0.12 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.40 1bey n SER 196 Cb 0.49 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.47 1bey n SER 196 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1bey n LEU 197 N 0.00 1.79 0.00 1.04 7.94 -1.26 -4.91 117.00 121.59 1bey n LEU 197 Ca 0.00 -3.72 0.00 0.00 -1.11 0.00 0.00 56.01 51.18 1bey n LEU 197 Cb 0.00 0.36 0.00 0.00 0.53 0.00 0.00 43.42 44.31 1bey n LEU 197 CO 0.00 1.53 0.00 0.61 -1.11 0.00 0.00 177.39 178.42 1bey n GLY 198 N -0.20 -3.14 1.87 -3.96 0.00 -1.26 -4.63 105.19 93.87 1bey n GLY 198 Ca 0.12 -0.29 -0.21 0.00 0.00 0.00 0.00 46.02 45.64 1bey n GLY 198 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1bey n THR 199 N 0.00 2.99 -1.88 2.61 -1.04 -1.26 -5.01 114.28 110.68 1bey n THR 199 Ca 0.00 -2.94 -0.30 0.00 -2.04 0.00 0.00 64.05 58.77 1bey n THR 199 Cb 0.00 -0.75 0.06 0.00 -1.82 0.00 0.00 70.33 67.82 1bey n THR 199 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 1bey s GLN 200 N -3.50 2.65 0.54 -2.82 0.74 -1.26 -5.10 119.66 110.90 1bey s GLN 200 Ca 0.54 0.38 -0.03 0.00 0.05 0.00 0.00 55.36 56.30 1bey s GLN 200 Cb 0.45 -2.00 0.01 0.00 1.10 0.00 0.00 33.01 32.57 1bey s GLN 200 CO 0.02 -1.17 0.80 -0.08 -0.55 0.00 0.00 175.29 174.32 1bey s THR 201 N -3.41 3.64 0.00 -0.34 -1.32 -1.26 -5.06 115.64 107.89 1bey s THR 201 Ca 0.59 -0.27 0.00 0.00 -1.21 0.00 0.00 61.69 60.80 1bey s THR 201 Cb -0.11 -3.40 0.00 0.00 -1.51 0.00 0.00 72.50 67.48 1bey s THR 201 CO 0.51 -0.35 0.00 -1.22 -2.21 0.00 0.00 174.62 171.35 1bey n TYR 202 N -2.37 0.00 -1.83 9.09 4.01 -1.26 -5.09 117.16 119.70 1bey n TYR 202 Ca 0.04 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.48 1bey n TYR 202 Cb 0.58 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.66 1bey n TYR 202 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1bey s ILE 203 N 0.00 3.54 -0.22 -0.72 -1.09 -1.26 -2.79 121.20 118.67 1bey s ILE 203 Ca 0.00 0.50 0.00 0.00 -2.23 0.00 0.00 60.65 58.92 1bey s ILE 203 Cb 0.00 -3.46 0.06 0.00 -1.58 0.00 0.00 42.46 37.48 1bey s ILE 203 CO 0.00 -0.65 -0.04 0.00 -1.23 0.00 0.00 174.94 173.01 1bey n ASN 205 N 4.75 6.45 -4.63 0.00 3.02 -1.11 -0.90 115.26 122.84 1bey n ASN 205 Ca -0.12 -3.42 -0.43 0.00 -0.03 0.00 0.00 54.58 50.58 1bey n ASN 205 Cb 0.45 -1.27 -0.02 0.00 -0.61 0.00 0.00 39.78 38.33 1bey n ASN 205 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1bey s VAL 206 N -2.81 4.08 0.12 2.41 1.01 -0.65 -2.40 120.40 122.17 1bey s VAL 206 Ca 0.31 1.23 0.05 0.00 0.00 0.00 0.00 61.98 63.58 1bey s VAL 206 Cb 0.05 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 1bey s VAL 206 CO 0.10 -0.39 0.06 0.21 0.00 0.00 0.00 175.10 175.08 1bey s ASN 207 N 2.92 5.28 -0.29 3.32 3.84 0.24 -3.12 114.94 127.13 1bey s ASN 207 Ca 0.59 -0.14 0.02 0.00 0.21 0.00 0.00 52.86 53.54 1bey s ASN 207 Cb -0.19 -1.33 0.20 0.00 -0.55 0.00 0.00 41.25 39.38 1bey s ASN 207 CO 0.23 0.13 0.65 -2.28 -2.79 0.00 0.00 177.10 173.04 1bey s HIS 208 N -1.52 -1.65 -0.03 0.43 5.65 -1.17 -1.17 115.29 115.83 1bey s HIS 208 Ca 0.29 1.13 -0.25 0.00 0.25 0.00 0.00 55.06 56.48 1bey s HIS 208 Cb -0.11 0.35 -0.19 0.00 -1.18 0.00 0.00 32.58 31.45 1bey s HIS 208 CO 0.21 -0.95 1.13 0.87 -0.65 0.00 0.00 174.74 175.35 1bey h LYS 209 N 7.93 -0.11 -0.85 2.88 1.57 -1.83 -2.63 116.57 123.54 1bey h LYS 209 Ca -0.07 0.01 0.32 0.00 -1.87 0.00 0.00 60.65 59.04 1bey h LYS 209 Cb 1.18 0.03 -0.15 0.00 0.08 0.00 0.00 32.23 33.36 1bey h LYS 209 CO 0.14 0.37 0.33 -0.35 -0.57 0.00 0.00 179.45 179.37 1bey n PRO 210 N -4.90 -0.06 -0.04 3.15 -0.04 -1.26 -1.21 135.00 130.64 1bey n PRO 210 Ca -0.08 1.20 -0.17 0.00 -0.04 0.00 0.00 63.50 64.40 1bey n PRO 210 Cb 0.27 -2.07 -0.13 0.00 -0.04 0.00 0.00 33.50 31.52 1bey n PRO 210 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1bey h SER 211 N 0.00 0.13 0.00 3.54 4.64 -1.89 -3.46 113.55 116.50 1bey h SER 211 Ca 0.66 -0.91 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 1bey h SER 211 Cb 1.67 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.72 1bey h SER 211 CO -0.69 1.19 0.00 0.59 -0.87 0.00 0.00 176.83 177.05 1bey n ASN 212 N -4.43 0.00 -4.55 4.97 3.02 -0.35 -5.02 115.26 108.90 1bey n ASN 212 Ca -0.15 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.06 1bey n ASN 212 Cb 0.61 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.67 1bey n ASN 212 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1bey s THR 213 N -2.00 3.79 -0.07 3.41 2.01 -0.99 -5.05 115.64 116.74 1bey s THR 213 Ca 0.00 -0.43 0.03 0.00 0.31 0.00 0.00 61.69 61.61 1bey s THR 213 Cb 0.00 -2.59 0.00 0.00 0.01 0.00 0.00 72.50 69.92 1bey s THR 213 CO 0.00 0.56 -0.17 -0.54 -0.69 0.00 0.00 174.62 173.78 1bey s LYS 214 N -0.38 2.06 -0.09 4.92 1.02 -1.26 -3.04 119.74 122.98 1bey s LYS 214 Ca 0.06 -0.60 -0.05 0.00 0.02 0.00 0.00 55.97 55.40 1bey s LYS 214 Cb -0.12 -1.68 0.04 0.00 -0.52 0.00 0.00 37.83 35.55 1bey s LYS 214 CO 0.02 0.14 0.22 0.08 -0.92 0.00 0.00 175.35 174.89 1bey s VAL 215 N 0.37 -0.04 -0.60 3.17 1.01 -1.18 -5.08 120.40 118.05 1bey s VAL 215 Ca -0.12 0.14 0.06 0.00 0.00 0.00 0.00 61.98 62.06 1bey s VAL 215 Cb -0.15 -0.33 0.24 0.00 0.00 0.00 0.00 36.38 36.14 1bey s VAL 215 CO 0.05 0.06 0.69 0.47 0.00 0.00 0.00 175.10 176.36 1bey n ASP 216 N 4.06 3.10 -4.76 3.32 8.00 -1.21 -1.64 116.55 127.43 1bey n ASP 216 Ca -0.24 -3.30 -0.38 0.00 0.71 0.00 0.00 54.79 51.58 1bey n ASP 216 Cb 0.53 -0.67 0.02 0.00 -0.02 0.00 0.00 41.12 40.99 1bey n ASP 216 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1bey s LYS 217 N -2.17 3.35 -0.50 -1.24 2.47 -0.08 -4.20 119.74 117.37 1bey s LYS 217 Ca 0.38 2.09 -0.17 0.00 -1.56 0.00 0.00 55.97 56.70 1bey s LYS 217 Cb 0.14 -2.31 0.07 0.00 -1.46 0.00 0.00 37.83 34.27 1bey s LYS 217 CO -0.04 -0.98 0.53 0.21 0.16 0.00 0.00 175.35 175.22 1bey s LYS 218 N -2.84 3.05 0.00 4.03 2.47 -1.26 0.20 119.74 125.39 1bey s LYS 218 Ca 0.69 -1.14 0.29 0.00 -1.56 0.00 0.00 55.97 54.25 1bey s LYS 218 Cb -0.37 -4.13 1.76 0.00 -1.46 0.00 0.00 37.83 33.63 1bey s LYS 218 CO 0.44 -1.16 2.09 1.55 0.16 0.00 0.00 175.35 178.43