#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3drx n ALA 34 N 0.00 3.78 -0.34 -0.43 0.00 -1.26 -4.78 120.51 117.49 3drx n ALA 34 Ca 0.00 -3.47 0.10 0.00 0.00 0.00 0.00 53.44 50.07 3drx n ALA 34 Cb 0.00 -3.60 0.21 0.00 0.00 0.00 0.00 19.45 16.07 3drx n ALA 34 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3drx h LEU 35 N 13.09 -0.64 -8.97 0.00 6.46 -2.07 -3.43 115.31 119.75 3drx h LEU 35 Ca 0.44 0.28 -0.44 0.00 -0.12 0.00 0.00 57.88 58.04 3drx h LEU 35 Cb 0.70 0.52 -0.14 0.00 -0.73 0.00 0.00 40.66 41.01 3drx h LEU 35 CO 1.84 -0.32 -0.53 0.00 -0.62 0.00 0.00 178.44 178.81 3drx s ALA 36 N -6.12 1.97 0.78 1.25 0.00 -1.26 -5.15 121.76 113.24 3drx s ALA 36 Ca -0.14 -1.80 -0.14 0.00 0.00 0.00 0.00 51.96 49.88 3drx s ALA 36 Cb 0.27 1.25 0.07 0.00 0.00 0.00 0.00 23.12 24.71 3drx s ALA 36 CO 0.78 -0.55 1.21 -0.65 0.00 0.00 0.00 175.76 176.54 3drx s GLN 37 N -3.69 1.79 0.38 0.00 -0.21 -1.26 -4.93 119.66 111.74 3drx s GLN 37 Ca 0.36 1.78 -0.27 0.00 0.02 0.00 0.00 55.36 57.25 3drx s GLN 37 Cb 0.04 -1.79 -0.09 0.00 1.00 0.00 0.00 33.01 32.16 3drx s GLN 37 CO 0.20 -2.10 1.33 1.03 -2.12 0.00 0.00 175.29 173.63 3drx s ARG 38 N -4.05 4.10 0.34 2.91 0.52 -1.26 -4.94 118.95 116.57 3drx s ARG 38 Ca 0.74 2.23 -0.28 0.00 -0.52 0.00 0.00 55.73 57.89 3drx s ARG 38 Cb -0.29 -2.87 -0.12 0.00 0.52 0.00 0.00 34.95 32.18 3drx s ARG 38 CO 0.49 -0.41 1.32 -0.35 0.02 0.00 0.00 175.30 176.37 3drx n PRO 39 N 0.36 2.19 -3.42 3.54 -0.04 -1.26 -2.00 135.00 134.37 3drx n PRO 39 Ca 0.02 0.77 -0.23 0.00 -0.04 0.00 0.00 63.50 64.02 3drx n PRO 39 Cb 0.42 -2.37 0.07 0.00 -0.04 0.00 0.00 33.50 31.58 3drx n PRO 39 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3drx n GLY 40 N 0.86 -0.53 0.82 0.55 0.00 -1.26 -4.80 105.19 100.84 3drx n GLY 40 Ca 0.05 0.21 0.04 0.00 0.00 0.00 0.00 46.02 46.32 3drx n GLY 40 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3drx n SER 41 N -2.83 2.30 0.00 1.61 3.41 -0.85 -3.11 113.62 114.15 3drx n SER 41 Ca -0.03 -2.20 0.00 0.00 -0.26 0.00 0.00 58.87 56.38 3drx n SER 41 Cb 0.58 -0.40 0.00 0.00 -0.26 0.00 0.00 64.21 64.12 3drx n SER 41 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3drx n VAL 42 N 0.30 0.00 -1.52 -3.33 0.31 -1.26 -4.62 118.33 108.22 3drx n VAL 42 Ca 0.11 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 64.05 3drx n VAL 42 Cb 0.46 1.20 0.03 0.00 -0.91 0.00 0.00 33.84 34.62 3drx n VAL 42 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3drx n SER 43 N 0.00 -0.32 -0.08 4.52 3.41 -1.18 -4.94 113.62 115.03 3drx n SER 43 Ca 0.00 0.81 -0.10 0.00 -0.26 0.00 0.00 58.87 59.32 3drx n SER 43 Cb 0.34 -1.24 -0.03 0.00 -0.26 0.00 0.00 64.21 63.02 3drx n SER 43 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 3drx h LYS 44 N 0.53 0.40 -6.35 4.33 3.64 -1.98 -3.41 116.57 113.73 3drx h LYS 44 Ca -0.45 -0.09 -0.55 0.00 -1.27 0.00 0.00 60.65 58.29 3drx h LYS 44 Cb 1.38 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 33.11 3drx h LYS 44 CO 0.50 0.47 -0.06 -1.58 -2.27 0.00 0.00 179.45 176.51 3drx s TRP 45 N -5.41 3.60 -0.02 1.91 0.52 -1.26 -0.19 118.94 118.09 3drx s TRP 45 Ca -0.14 1.09 0.01 0.00 0.02 0.00 0.00 56.10 57.08 3drx s TRP 45 Cb 0.08 -2.39 0.02 0.00 -1.15 0.00 0.00 33.47 30.02 3drx s TRP 45 CO 0.73 0.41 -0.01 0.08 0.02 0.00 0.00 176.95 178.17 3drx s VAL 46 N -1.48 0.24 -0.12 4.03 1.01 0.15 -4.80 120.40 119.42 3drx s VAL 46 Ca 0.39 -0.01 -0.02 0.00 0.00 0.00 0.00 61.98 62.34 3drx s VAL 46 Cb -0.15 -0.28 -0.03 0.00 0.00 0.00 0.00 36.38 35.92 3drx s VAL 46 CO 0.19 0.13 -0.04 -0.13 0.00 0.00 0.00 175.10 175.25 3drx s ARG 47 N 0.65 3.33 -0.12 2.72 0.52 -1.26 -1.42 118.95 123.36 3drx s ARG 47 Ca -0.07 -0.52 0.01 0.00 -0.52 0.00 0.00 55.73 54.64 3drx s ARG 47 Cb -0.10 -2.80 -0.01 0.00 0.52 0.00 0.00 34.95 32.56 3drx s ARG 47 CO -0.01 0.42 -0.16 -0.51 0.02 0.00 0.00 175.30 175.06 3drx s LEU 48 N -0.12 2.54 -0.89 2.53 1.43 0.25 -1.73 118.68 122.70 3drx s LEU 48 Ca 0.02 -0.40 -0.12 0.00 -1.03 0.00 0.00 54.13 52.61 3drx s LEU 48 Cb -0.13 -1.56 0.23 0.00 0.03 0.00 0.00 46.19 44.76 3drx s LEU 48 CO 0.03 0.16 0.83 0.21 0.23 0.00 0.00 176.35 177.81 3drx s ASN 49 N 0.38 6.81 -0.66 2.29 2.47 0.19 0.14 114.94 126.55 3drx s ASN 49 Ca -0.13 -2.93 -0.24 0.00 0.42 0.00 0.00 52.86 49.98 3drx s ASN 49 Cb -0.16 -2.19 0.05 0.00 -1.45 0.00 0.00 41.25 37.50 3drx s ASN 49 CO 0.06 -0.49 1.05 -0.69 -3.72 0.00 0.00 177.10 173.31 3drx s VAL 50 N -0.21 4.17 -0.16 -5.21 1.01 0.40 -1.52 120.40 118.88 3drx s VAL 50 Ca 0.21 -0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.17 3drx s VAL 50 Cb -0.10 -4.72 0.00 0.00 0.00 0.00 0.00 36.38 31.55 3drx s VAL 50 CO -0.09 -1.50 0.00 0.61 0.00 0.00 0.00 175.10 174.12 3drx n GLY 51 N 5.30 0.15 0.00 4.51 0.00 0.13 -1.67 105.19 113.61 3drx n GLY 51 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3drx n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3drx n GLY 52 N 0.85 1.17 3.18 -0.02 0.00 -1.26 -4.93 105.19 104.18 3drx n GLY 52 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 3drx n GLY 52 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3drx s THR 53 N -1.94 2.07 0.26 2.61 2.01 -0.67 -5.09 115.64 114.90 3drx s THR 53 Ca 0.00 -0.98 -0.30 0.00 0.31 0.00 0.00 61.69 60.72 3drx s THR 53 Cb 0.00 -1.82 -0.09 0.00 0.01 0.00 0.00 72.50 70.60 3drx s THR 53 CO 0.00 0.55 1.02 -0.31 -0.69 0.00 0.00 174.62 175.19 3drx s TYR 54 N 0.73 3.78 -0.02 4.92 2.02 -1.25 -0.45 117.35 127.08 3drx s TYR 54 Ca -0.09 1.81 0.04 0.00 -0.37 0.00 0.00 57.07 58.46 3drx s TYR 54 Cb -0.16 -3.13 -0.01 0.00 -0.40 0.00 0.00 41.96 38.27 3drx s TYR 54 CO 0.00 -0.04 -0.13 -0.06 -1.57 0.00 0.00 175.55 173.75 3drx s PHE 55 N -1.18 1.23 -0.23 2.71 0.08 0.12 -4.94 117.98 115.78 3drx s PHE 55 Ca 0.43 -0.28 -0.02 0.00 0.12 0.00 0.00 56.93 57.18 3drx s PHE 55 Cb -0.29 -0.82 0.02 0.00 -0.57 0.00 0.00 43.02 41.36 3drx s PHE 55 CO 0.36 -0.07 -0.08 -1.17 -0.10 0.00 0.00 175.22 174.17 3drx s LEU 56 N -0.12 2.91 0.00 -0.37 2.96 -1.26 -0.58 118.68 122.22 3drx s LEU 56 Ca 0.01 -0.70 0.02 0.00 -0.22 0.00 0.00 54.13 53.24 3drx s LEU 56 Cb -0.07 -1.65 -0.01 0.00 0.50 0.00 0.00 46.19 44.96 3drx s LEU 56 CO 0.00 -0.07 0.06 1.07 -1.32 0.00 0.00 176.35 176.09 3drx n THR 57 N 4.70 0.00 -4.09 3.68 5.66 -0.51 -4.99 114.28 118.72 3drx n THR 57 Ca -0.18 -0.54 -0.28 0.00 -3.05 0.00 0.00 64.05 60.00 3drx n THR 57 Cb 0.49 0.26 -0.06 0.00 -1.55 0.00 0.00 70.33 69.47 3drx n THR 57 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3drx s THR 58 N -2.26 4.38 0.26 1.09 -4.23 -1.26 0.30 115.64 113.92 3drx s THR 58 Ca 0.08 -1.03 -0.01 0.00 -1.18 0.00 0.00 61.69 59.56 3drx s THR 58 Cb 0.00 -3.19 0.24 0.00 1.34 0.00 0.00 72.50 70.90 3drx s THR 58 CO 0.06 -0.03 1.75 0.03 -0.54 0.00 0.00 174.62 175.89 3drx h ARG 59 N 2.77 0.54 -0.65 3.99 3.08 -0.81 -2.08 114.38 121.22 3drx h ARG 59 Ca -0.47 -0.03 0.07 0.00 0.07 0.00 0.00 59.98 59.61 3drx h ARG 59 Cb 1.19 -0.12 -0.10 0.00 0.08 0.00 0.00 29.97 31.02 3drx h ARG 59 CO 0.63 0.36 -0.56 1.96 -1.07 0.00 0.00 179.97 181.29 3drx h GLN 60 N 0.56 -0.23 -0.92 0.04 1.08 -1.94 -0.26 115.11 113.44 3drx h GLN 60 Ca 0.46 0.02 0.26 0.00 -1.45 0.00 0.00 58.65 57.93 3drx h GLN 60 Cb 0.68 0.05 -0.14 0.00 -0.05 0.00 0.00 27.48 28.02 3drx h GLN 60 CO -0.38 -0.15 0.37 1.15 -0.95 0.00 0.00 178.83 178.87 3drx h THR 61 N -0.23 0.34 0.00 -0.54 2.02 -1.73 0.42 112.91 113.19 3drx h THR 61 Ca 0.11 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.20 3drx h THR 61 Cb 0.52 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 3drx h THR 61 CO -0.74 0.05 0.00 0.18 0.37 0.00 0.00 175.52 175.38 3drx n LEU 62 N -5.13 0.00 -1.10 2.58 4.77 -0.12 -2.27 117.00 115.73 3drx n LEU 62 Ca 0.25 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.33 3drx n LEU 62 Cb 0.77 0.00 0.24 0.00 -2.33 0.00 0.00 43.42 42.11 3drx n LEU 62 CO 0.09 0.00 0.71 0.00 -1.33 0.00 0.00 177.39 176.85 3drx h ARG 64 N 3.72 0.18 -4.70 0.00 9.65 -1.56 -3.39 114.38 118.28 3drx h ARG 64 Ca 0.00 -0.01 -0.67 0.00 -1.10 0.00 0.00 59.98 58.20 3drx h ARG 64 Cb 0.91 -0.04 -0.38 0.00 -1.39 0.00 0.00 29.97 29.07 3drx h ARG 64 CO 0.00 0.13 -0.70 0.34 2.80 0.00 0.00 179.97 182.54 3drx s ASP 65 N -5.33 4.80 0.62 -3.80 -1.08 -1.26 -4.98 116.67 105.64 3drx s ASP 65 Ca -0.13 -1.87 0.36 0.00 -0.52 0.00 0.00 52.55 50.39 3drx s ASP 65 Cb 0.07 -1.66 2.07 0.00 -1.46 0.00 0.00 42.92 41.95 3drx s ASP 65 CO 0.68 -0.35 2.31 -0.65 0.52 0.00 0.00 175.17 177.67 3drx h PRO 66 N 7.77 0.00 -0.00 4.34 0.11 -1.92 -0.76 132.00 141.54 3drx h PRO 66 Ca -0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.00 3drx h PRO 66 Cb 1.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3drx h PRO 66 CO 0.54 0.00 -0.08 1.63 -0.21 0.00 0.00 178.00 179.88 3drx n LYS 67 N -3.55 0.18 -2.83 1.05 4.01 -1.26 -4.90 118.16 110.87 3drx n LYS 67 Ca -0.03 -0.03 -0.32 0.00 -0.51 0.00 0.00 58.31 57.42 3drx n LYS 67 Cb 0.08 -1.50 -0.04 0.00 -0.51 0.00 0.00 35.03 33.05 3drx n LYS 67 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 3drx s SER 68 N -2.84 6.66 0.39 4.39 0.15 -0.29 -4.92 113.70 117.24 3drx s SER 68 Ca 0.19 1.33 0.28 0.00 0.70 0.00 0.00 55.95 58.45 3drx s SER 68 Cb 0.19 -2.40 1.04 0.00 -1.71 0.00 0.00 66.02 63.14 3drx s SER 68 CO 0.53 -0.38 1.82 0.15 1.20 0.00 0.00 173.24 176.55 3drx h PHE 69 N 1.53 0.00 0.00 3.44 3.57 -1.79 -2.46 116.94 121.23 3drx h PHE 69 Ca -0.47 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.03 3drx h PHE 69 Cb 1.18 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.92 3drx h PHE 69 CO 0.62 0.00 0.00 -0.07 -2.23 0.00 0.00 178.31 176.63 3drx h LEU 70 N 0.00 0.00 -2.25 0.59 3.38 -1.90 -2.95 115.31 112.18 3drx h LEU 70 Ca 0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.01 3drx h LEU 70 Cb 0.55 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 3drx h LEU 70 CO 0.00 0.00 0.14 0.22 0.09 0.00 0.00 178.44 178.89 3drx h TYR 71 N 0.00 0.00 -0.85 1.13 3.20 -1.53 -1.90 116.97 117.01 3drx h TYR 71 Ca 0.00 0.00 0.10 0.00 3.14 0.00 0.00 58.73 61.97 3drx h TYR 71 Cb 0.77 0.00 -0.08 0.00 1.54 0.00 0.00 36.73 38.96 3drx h TYR 71 CO 0.00 0.00 0.49 0.00 -1.64 0.00 0.00 178.16 177.01 3drx h ARG 72 N 0.00 0.79 -0.41 1.82 3.08 -1.70 0.33 114.38 118.29 3drx h ARG 72 Ca 0.07 -0.05 -0.10 0.00 0.07 0.00 0.00 59.98 59.97 3drx h ARG 72 Cb 0.36 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 3drx h ARG 72 CO -0.00 0.52 -0.15 -0.07 -1.07 0.00 0.00 179.97 179.20 3drx h LEU 73 N 0.81 0.77 -0.37 3.04 4.07 -1.58 -1.63 115.31 120.43 3drx h LEU 73 Ca 0.42 -0.25 0.02 0.00 0.08 0.00 0.00 57.88 58.15 3drx h LEU 73 Cb 0.40 -0.21 -0.03 0.00 1.08 0.00 0.00 40.66 41.90 3drx h LEU 73 CO -0.26 0.93 0.20 0.00 -1.08 0.00 0.00 178.44 178.23 3drx n GLN 75 N -4.91 1.93 -3.34 0.00 1.13 0.89 -4.89 117.38 108.19 3drx n GLN 75 Ca 0.01 -0.86 -0.22 0.00 -1.94 0.00 0.00 57.00 53.98 3drx n GLN 75 Cb 0.08 -1.55 -0.01 0.00 0.11 0.00 0.00 30.24 28.87 3drx n GLN 75 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3drx n ALA 76 N 0.16 -1.05 -1.68 -1.58 0.00 -0.67 -4.83 120.51 110.86 3drx n ALA 76 Ca 0.08 0.05 -0.47 0.00 0.00 0.00 0.00 53.44 53.10 3drx n ALA 76 Cb 0.42 -2.47 -0.04 0.00 0.00 0.00 0.00 19.45 17.35 3drx n ALA 76 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3drx n ASP 77 N -2.20 3.55 -0.30 0.00 -0.08 -0.68 -4.89 116.55 111.96 3drx n ASP 77 Ca -0.01 0.97 0.12 0.00 -1.51 0.00 0.00 54.79 54.36 3drx n ASP 77 Cb 0.53 -1.40 0.29 0.00 2.34 0.00 0.00 41.12 42.88 3drx n ASP 77 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3drx h PRO 78 N 9.15 0.36 -0.89 -0.67 0.11 -1.92 -2.32 132.00 135.82 3drx h PRO 78 Ca -0.48 -0.02 0.36 0.00 0.11 0.00 0.00 66.00 65.96 3drx h PRO 78 Cb 1.26 -0.08 -0.14 0.00 0.11 0.00 0.00 31.00 32.15 3drx h PRO 78 CO 0.94 0.23 0.50 -0.25 -0.21 0.00 0.00 178.00 179.22 3drx n ASP 79 N -5.08 0.27 0.29 -2.05 9.92 -1.26 -0.99 116.55 117.65 3drx n ASP 79 Ca 0.21 1.34 0.18 0.00 -0.53 0.00 0.00 54.79 55.98 3drx n ASP 79 Cb 0.63 -0.65 0.78 0.00 -0.64 0.00 0.00 41.12 41.24 3drx n ASP 79 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 3drx h LEU 80 N 0.00 0.00 -2.48 0.64 3.38 -1.80 -3.18 115.31 111.87 3drx h LEU 80 Ca 0.71 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.68 3drx h LEU 80 Cb 1.95 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.70 3drx h LEU 80 CO -0.59 0.03 -0.01 0.44 0.09 0.00 0.00 178.44 178.39 3drx h ASP 81 N 0.00 0.00 -0.40 -0.43 5.19 -1.29 0.34 116.42 119.84 3drx h ASP 81 Ca -0.00 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 3drx h ASP 81 Cb 0.41 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.90 3drx h ASP 81 CO 0.00 0.01 0.23 0.28 -3.12 0.00 0.00 179.24 176.65 3drx h SER 82 N 0.00 0.50 -0.86 6.45 0.02 -1.79 -3.11 113.55 114.77 3drx h SER 82 Ca -0.00 -0.03 -0.60 0.00 -0.84 0.00 0.00 61.79 60.32 3drx h SER 82 Cb 0.04 -0.13 -0.38 0.00 0.14 0.00 0.00 62.40 62.08 3drx h SER 82 CO 0.00 0.41 -0.15 0.47 -1.14 0.00 0.00 176.83 176.42 3drx n ASP 83 N -4.43 6.02 -4.07 3.07 10.43 0.12 -4.91 116.55 122.77 3drx n ASP 83 Ca 0.03 -3.77 -0.32 0.00 2.57 0.00 0.00 54.79 53.30 3drx n ASP 83 Cb 0.10 -0.59 -0.16 0.00 1.84 0.00 0.00 41.12 42.31 3drx n ASP 83 CO 0.00 0.00 0.00 -0.75 -1.07 0.00 0.00 177.20 175.38 3drx s LYS 84 N -3.69 2.49 0.94 -1.24 2.20 -1.18 -0.02 119.74 119.24 3drx s LYS 84 Ca 0.56 -1.05 -0.14 0.00 -0.36 0.00 0.00 55.97 54.99 3drx s LYS 84 Cb 0.45 -2.67 0.22 0.00 -1.51 0.00 0.00 37.83 34.32 3drx s LYS 84 CO 0.02 -0.40 0.50 -0.40 -0.36 0.00 0.00 175.35 174.70 3drx n ASP 85 N 4.56 -3.14 0.08 1.43 3.85 0.53 -4.82 116.55 119.03 3drx n ASP 85 Ca -0.17 -0.50 -0.09 0.00 -0.71 0.00 0.00 54.79 53.32 3drx n ASP 85 Cb 0.46 -0.66 -0.10 0.00 -1.35 0.00 0.00 41.12 39.46 3drx n ASP 85 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.20 176.11 3drx h GLU 86 N 0.00 0.09 0.00 0.11 4.81 -2.00 -2.96 114.58 114.63 3drx h GLU 86 Ca -0.23 -0.14 -0.06 0.00 -0.13 0.00 0.00 59.36 58.80 3drx h GLU 86 Cb 0.76 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.18 3drx h GLU 86 CO 0.14 1.04 -0.29 1.79 -0.73 0.00 0.00 179.01 180.95 3drx h THR 87 N 0.03 1.19 0.00 0.32 1.35 -2.05 -3.46 112.91 110.29 3drx h THR 87 Ca -0.05 -1.01 0.00 0.00 -0.55 0.00 0.00 66.41 64.80 3drx h THR 87 Cb 1.77 1.55 0.00 0.00 -1.73 0.00 0.00 68.15 69.74 3drx h THR 87 CO 0.15 0.29 0.00 0.61 -0.25 0.00 0.00 175.52 176.31 3drx n GLY 88 N -0.67 1.59 3.76 5.82 0.00 -1.12 -5.11 105.19 109.45 3drx n GLY 88 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 3drx n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3drx n ALA 89 N 0.00 2.44 -2.45 4.61 0.00 -1.26 -4.55 120.51 119.29 3drx n ALA 89 Ca 0.00 0.36 -0.41 0.00 0.00 0.00 0.00 53.44 53.39 3drx n ALA 89 Cb 0.00 -2.44 -0.04 0.00 0.00 0.00 0.00 19.45 16.97 3drx n ALA 89 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3drx s TYR 90 N -0.53 3.73 -0.04 0.00 1.51 -0.70 -0.35 117.35 120.97 3drx s TYR 90 Ca 0.59 1.65 -0.20 0.00 -1.01 0.00 0.00 57.07 58.10 3drx s TYR 90 Cb -0.49 -3.00 -0.05 0.00 -0.11 0.00 0.00 41.96 38.32 3drx s TYR 90 CO 0.56 0.15 0.58 -0.51 -1.11 0.00 0.00 175.55 175.22 3drx s LEU 91 N 0.33 4.36 -0.13 -1.29 1.43 0.97 -0.64 118.68 123.71 3drx s LEU 91 Ca 0.46 1.08 -0.02 0.00 -1.03 0.00 0.00 54.13 54.61 3drx s LEU 91 Cb -0.22 -2.89 0.04 0.00 0.03 0.00 0.00 46.19 43.15 3drx s LEU 91 CO 0.27 0.04 0.02 -0.63 0.23 0.00 0.00 176.35 176.27 3drx s ILE 92 N 0.19 0.41 -1.56 -0.59 1.01 -0.58 -4.94 121.20 115.14 3drx s ILE 92 Ca 0.31 -0.17 -0.09 0.00 0.00 0.00 0.00 60.65 60.70 3drx s ILE 92 Cb -0.17 -0.74 -0.08 0.00 0.01 0.00 0.00 42.46 41.48 3drx s ILE 92 CO 0.16 0.04 2.93 -0.67 0.00 0.00 0.00 174.94 177.40 3drx n ASP 93 N 5.12 8.64 -4.34 3.58 2.03 -1.26 0.21 116.55 130.52 3drx n ASP 93 Ca -0.08 -2.62 -0.18 0.00 0.52 0.00 0.00 54.79 52.44 3drx n ASP 93 Cb 0.49 -1.54 -0.10 0.00 -0.72 0.00 0.00 41.12 39.25 3drx n ASP 93 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 3drx s ARG 94 N 1.84 1.38 0.15 -0.67 1.81 -1.26 -4.91 118.95 117.28 3drx s ARG 94 Ca 0.69 -1.71 -0.30 0.00 -1.72 0.00 0.00 55.73 52.68 3drx s ARG 94 Cb 0.18 -0.61 -0.07 0.00 -0.45 0.00 0.00 34.95 34.00 3drx s ARG 94 CO -0.06 -0.13 1.22 0.34 -0.68 0.00 0.00 175.30 175.99 3drx s ASP 95 N -3.33 7.06 0.21 0.23 -1.08 -1.26 -2.65 116.67 115.85 3drx s ASP 95 Ca 0.30 2.18 0.18 0.00 -0.52 0.00 0.00 52.55 54.70 3drx s ASP 95 Cb 0.06 -2.60 0.02 0.00 -1.46 0.00 0.00 42.92 38.94 3drx s ASP 95 CO 0.10 -0.43 1.18 1.55 0.52 0.00 0.00 175.17 178.10 3drx h PRO 96 N 5.81 0.00 -0.37 4.34 0.13 -1.92 -3.36 132.00 136.62 3drx h PRO 96 Ca -0.43 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 64.80 3drx h PRO 96 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 3drx h PRO 96 CO 0.77 0.27 0.36 1.79 -0.23 0.00 0.00 178.00 180.97 3drx h THR 97 N 0.00 0.47 -0.14 1.56 1.35 -1.92 0.16 112.91 114.39 3drx h THR 97 Ca -0.06 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.80 3drx h THR 97 Cb 1.33 0.72 0.00 0.00 -1.73 0.00 0.00 68.15 68.47 3drx h THR 97 CO 0.04 0.00 0.00 -1.22 -0.25 0.00 0.00 175.52 174.09 3drx n TYR 98 N -3.87 0.15 -0.07 4.73 4.02 -1.26 -4.65 117.16 116.21 3drx n TYR 98 Ca 0.06 -0.08 -0.13 0.00 -0.01 0.00 0.00 57.90 57.73 3drx n TYR 98 Cb 0.53 -0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.74 3drx n TYR 98 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 176.86 176.20 3drx h PHE 99 N 4.29 0.00 -0.70 -0.72 3.04 -0.87 -3.37 116.94 118.61 3drx h PHE 99 Ca 0.00 0.00 0.12 0.00 3.98 0.00 0.00 57.97 62.07 3drx h PHE 99 Cb 0.93 0.00 -0.12 0.00 2.56 0.00 0.00 35.95 39.32 3drx h PHE 99 CO 0.08 0.95 -0.24 0.41 -2.02 0.00 0.00 178.31 177.48 3drx n GLY 100 N 1.60 -1.35 0.36 2.40 0.00 -1.25 0.75 105.19 107.70 3drx n GLY 100 Ca -0.12 0.77 -0.03 0.00 0.00 0.00 0.00 46.02 46.65 3drx n GLY 100 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3drx h PRO 101 N 0.00 1.27 0.20 1.61 0.11 -1.83 0.24 132.00 133.60 3drx h PRO 101 Ca 0.28 -0.09 -0.01 0.00 0.11 0.00 0.00 66.00 66.28 3drx h PRO 101 Cb 0.45 -0.28 0.00 0.00 0.11 0.00 0.00 31.00 31.29 3drx h PRO 101 CO -0.71 0.86 -0.10 0.28 -0.21 0.00 0.00 178.00 178.13 3drx h VAL 102 N 1.30 0.85 -0.71 3.15 2.07 0.18 -1.51 116.25 121.58 3drx h VAL 102 Ca 0.35 -0.21 0.10 0.00 0.82 0.00 0.00 66.70 67.75 3drx h VAL 102 Cb -0.11 0.98 -0.07 0.00 -1.52 0.00 0.00 31.29 30.56 3drx h VAL 102 CO -0.07 0.05 0.34 0.25 0.02 0.00 0.00 177.57 178.15 3drx h LEU 103 N -0.37 0.42 -1.27 2.57 5.85 -0.14 -1.21 115.31 121.17 3drx h LEU 103 Ca -0.03 0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.69 3drx h LEU 103 Cb 0.28 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 3drx h LEU 103 CO 0.04 0.23 -0.22 0.78 -0.34 0.00 0.00 178.44 178.93 3drx h ASN 104 N 0.56 0.21 -0.33 1.25 2.35 -0.31 -0.93 115.58 118.40 3drx h ASN 104 Ca 0.35 -0.06 0.03 0.00 -0.55 0.00 0.00 56.30 56.08 3drx h ASN 104 Cb 0.41 -0.06 -0.03 0.00 0.05 0.00 0.00 38.32 38.68 3drx h ASN 104 CO -0.29 0.45 0.12 0.22 -1.65 0.00 0.00 177.43 176.28 3drx h TYR 105 N 0.20 0.22 -0.52 1.19 3.20 -0.16 0.65 116.97 121.76 3drx h TYR 105 Ca 0.04 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.90 3drx h TYR 105 Cb 0.51 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.71 3drx h TYR 105 CO 0.01 0.10 0.23 -0.07 -1.64 0.00 0.00 178.16 176.78 3drx h LEU 106 N 0.27 0.66 -0.32 2.82 3.38 -0.89 0.91 115.31 122.13 3drx h LEU 106 Ca 0.14 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 3drx h LEU 106 Cb 0.11 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3drx h LEU 106 CO -0.14 0.58 -0.16 0.03 0.09 0.00 0.00 178.44 178.84 3drx h ARG 107 N 0.73 0.68 0.00 1.13 3.08 -0.01 -3.41 114.38 116.57 3drx h ARG 107 Ca 0.18 -0.30 0.00 0.00 0.07 0.00 0.00 59.98 59.93 3drx h ARG 107 Cb 0.11 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.14 3drx h ARG 107 CO -0.02 0.89 0.00 -2.39 -1.07 0.00 0.00 179.97 177.38 3drx n HIS 108 N -4.36 0.00 -0.38 3.04 1.44 0.11 -5.05 115.22 110.02 3drx n HIS 108 Ca -0.03 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.68 3drx n HIS 108 Cb 0.39 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.50 3drx n HIS 108 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3drx n GLY 109 N 0.06 1.27 3.90 -1.39 0.00 0.31 -5.03 105.19 104.31 3drx n GLY 109 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3drx n GLY 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3drx s LYS 110 N -0.36 3.44 -0.21 1.61 -0.14 -1.26 -4.97 119.74 117.85 3drx s LYS 110 Ca 0.00 -0.30 -0.21 0.00 -1.36 0.00 0.00 55.97 54.10 3drx s LYS 110 Cb 0.00 -3.10 -0.02 0.00 -1.68 0.00 0.00 37.83 33.03 3drx s LYS 110 CO 0.00 0.68 0.65 -1.17 -0.76 0.00 0.00 175.35 174.75 3drx s LEU 111 N -1.88 4.12 -0.06 3.17 2.96 -1.26 -4.11 118.68 121.62 3drx s LEU 111 Ca 0.27 0.83 -0.01 0.00 -0.22 0.00 0.00 54.13 54.99 3drx s LEU 111 Cb -0.13 -2.91 0.03 0.00 0.50 0.00 0.00 46.19 43.68 3drx s LEU 111 CO 0.18 -0.31 0.02 -0.69 -1.32 0.00 0.00 176.35 174.22 3drx s VAL 112 N 2.11 0.21 -0.06 1.68 1.01 -1.26 -5.13 120.40 118.95 3drx s VAL 112 Ca 0.29 0.21 0.04 0.00 0.00 0.00 0.00 61.98 62.52 3drx s VAL 112 Cb -0.16 -0.39 -0.00 0.00 0.00 0.00 0.00 36.38 35.84 3drx s VAL 112 CO 0.10 0.22 -0.19 -0.63 0.00 0.00 0.00 175.10 174.60 3drx s ILE 113 N 1.90 1.57 0.59 2.22 1.01 -1.26 -4.66 121.20 122.57 3drx s ILE 113 Ca 0.03 -0.77 -0.19 0.00 0.00 0.00 0.00 60.65 59.71 3drx s ILE 113 Cb -0.12 -1.36 -0.03 0.00 0.01 0.00 0.00 42.46 40.95 3drx s ILE 113 CO -0.04 0.45 1.25 0.20 0.00 0.00 0.00 174.94 176.80 3drx s ASN 114 N 0.19 5.09 0.40 3.58 0.01 -1.26 -4.90 114.94 118.05 3drx s ASN 114 Ca -0.09 2.50 0.13 0.00 -0.71 0.00 0.00 52.86 54.69 3drx s ASN 114 Cb -0.14 -2.61 0.97 0.00 0.41 0.00 0.00 41.25 39.88 3drx s ASN 114 CO 0.04 -1.67 1.89 0.11 -1.51 0.00 0.00 177.10 175.96 3drx h LYS 115 N 0.93 0.51 0.00 -0.60 6.56 -2.05 -0.16 116.57 121.75 3drx h LYS 115 Ca -0.51 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.05 3drx h LYS 115 Cb 1.31 -0.11 0.00 0.00 -0.57 0.00 0.00 32.23 32.85 3drx h LYS 115 CO 0.55 0.33 -0.35 -0.40 -2.06 0.00 0.00 179.45 177.53 3drx n ASP 116 N -4.52 0.40 -4.73 0.86 3.85 -1.26 -4.89 116.55 106.25 3drx n ASP 116 Ca 0.17 0.07 -0.40 0.00 -0.71 0.00 0.00 54.79 53.91 3drx n ASP 116 Cb 0.54 -0.03 -0.05 0.00 -1.35 0.00 0.00 41.12 40.23 3drx n ASP 116 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.20 175.97 3drx s LEU 117 N -3.25 4.39 -0.07 -2.12 2.96 -0.07 -5.02 118.68 115.49 3drx s LEU 117 Ca 0.11 1.38 -0.29 0.00 -0.22 0.00 0.00 54.13 55.12 3drx s LEU 117 Cb 0.17 -3.22 -0.02 0.00 0.50 0.00 0.00 46.19 43.62 3drx s LEU 117 CO 0.65 -0.06 0.95 0.00 -1.32 0.00 0.00 176.35 176.57 3drx s ALA 118 N 0.36 3.33 0.26 5.97 0.00 -1.26 -4.81 121.76 125.61 3drx s ALA 118 Ca 0.40 0.37 0.03 0.00 0.00 0.00 0.00 51.96 52.76 3drx s ALA 118 Cb -0.20 -3.33 0.34 0.00 0.00 0.00 0.00 23.12 19.93 3drx s ALA 118 CO 0.22 -0.43 1.64 1.05 0.00 0.00 0.00 175.76 178.24 3drx h GLU 119 N 6.99 0.37 -0.90 0.00 9.09 -1.96 -2.80 114.58 125.36 3drx h GLU 119 Ca -0.35 -0.19 0.21 0.00 0.05 0.00 0.00 59.36 59.08 3drx h GLU 119 Cb 1.17 0.00 -0.12 0.00 -1.65 0.00 0.00 28.75 28.16 3drx h GLU 119 CO 0.81 0.73 0.44 0.93 0.05 0.00 0.00 179.01 181.97 3drx h GLU 120 N 0.31 0.47 -0.15 1.06 3.07 -1.98 0.68 114.58 118.04 3drx h GLU 120 Ca 0.02 -0.03 -0.07 0.00 -0.50 0.00 0.00 59.36 58.79 3drx h GLU 120 Cb 0.88 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.67 3drx h GLU 120 CO 0.07 0.31 -0.21 0.78 -1.40 0.00 0.00 179.01 178.56 3drx h GLY 121 N 0.48 0.27 1.47 -3.84 0.00 -1.92 -1.56 103.07 97.98 3drx h GLY 121 Ca 0.55 -0.19 -0.24 0.00 0.00 0.00 0.00 47.33 47.45 3drx h GLY 121 CO -0.48 0.17 -0.99 -2.08 0.00 0.00 0.00 176.54 173.16 3drx h VAL 122 N 0.23 1.38 -0.85 4.60 2.07 -0.55 -3.14 116.25 119.98 3drx h VAL 122 Ca 0.04 -2.45 0.01 0.00 0.82 0.00 0.00 66.70 65.12 3drx h VAL 122 Cb 0.51 2.46 -0.04 0.00 -1.52 0.00 0.00 31.29 32.69 3drx h VAL 122 CO 0.03 0.74 0.56 0.25 0.02 0.00 0.00 177.57 179.17 3drx h LEU 123 N 0.25 0.98 -1.07 2.57 5.85 0.60 0.12 115.31 124.61 3drx h LEU 123 Ca -0.10 -0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.54 3drx h LEU 123 Cb 1.64 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 42.40 3drx h LEU 123 CO 0.18 0.71 0.06 -0.33 -0.34 0.00 0.00 178.44 178.72 3drx h GLU 124 N 1.16 0.72 0.10 1.25 4.39 -1.29 -2.32 114.58 118.60 3drx h GLU 124 Ca 0.31 -0.16 -0.00 0.00 0.34 0.00 0.00 59.36 59.85 3drx h GLU 124 Cb -0.13 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.42 3drx h GLU 124 CO -0.07 0.69 -0.05 0.93 -1.16 0.00 0.00 179.01 179.36 3drx h GLU 125 N 0.69 -0.13 -1.15 2.33 4.39 -1.34 -1.48 114.58 117.90 3drx h GLU 125 Ca 0.15 0.01 0.37 0.00 0.34 0.00 0.00 59.36 60.23 3drx h GLU 125 Cb 0.34 0.03 -0.13 0.00 -0.10 0.00 0.00 28.75 28.88 3drx h GLU 125 CO 0.01 0.35 0.70 0.00 -1.16 0.00 0.00 179.01 178.91 3drx h ALA 126 N -0.34 2.36 0.08 3.43 0.00 -0.78 0.27 119.26 124.27 3drx h ALA 126 Ca -0.01 0.14 -0.20 0.00 0.00 0.00 0.00 54.91 54.84 3drx h ALA 126 Cb 0.54 0.17 0.02 0.00 0.00 0.00 0.00 17.79 18.52 3drx h ALA 126 CO 0.02 -0.97 -0.82 0.93 0.00 0.00 0.00 179.25 178.41 3drx h GLU 127 N 0.20 0.42 0.38 0.00 5.08 -1.41 -0.52 114.58 118.74 3drx h GLU 127 Ca 0.76 -0.56 -0.02 0.00 -1.00 0.00 0.00 59.36 58.55 3drx h GLU 127 Cb 2.10 0.18 0.00 0.00 0.50 0.00 0.00 28.75 31.53 3drx h GLU 127 CO -0.49 1.22 -0.19 0.35 -1.00 0.00 0.00 179.01 178.89 3drx h PHE 128 N -0.11 -0.49 0.00 4.33 3.57 0.57 0.11 116.94 124.92 3drx h PHE 128 Ca -0.12 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.37 3drx h PHE 128 Cb 1.56 0.16 0.00 0.00 2.79 0.00 0.00 35.95 40.47 3drx h PHE 128 CO 0.16 -0.30 0.00 0.66 -2.23 0.00 0.00 178.31 176.59 3drx n TYR 129 N -5.32 0.00 -3.74 0.41 4.02 -0.30 -4.86 117.16 107.37 3drx n TYR 129 Ca -0.11 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.46 3drx n TYR 129 Cb 0.23 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.58 3drx n TYR 129 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 3drx n ASN 130 N -0.79 -5.18 -4.17 7.72 4.05 0.38 -2.91 115.26 114.36 3drx n ASN 130 Ca 0.10 -1.03 -0.39 0.00 0.45 0.00 0.00 54.58 53.71 3drx n ASN 130 Cb 0.04 -2.95 -0.08 0.00 1.23 0.00 0.00 39.78 38.02 3drx n ASN 130 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 3drx s ILE 131 N -3.41 4.16 0.10 -1.44 1.01 -0.23 -4.10 121.20 117.29 3drx s ILE 131 Ca 0.41 -2.51 -0.28 0.00 0.00 0.00 0.00 60.65 58.28 3drx s ILE 131 Cb -0.17 -3.69 -0.10 0.00 0.01 0.00 0.00 42.46 38.51 3drx s ILE 131 CO 0.88 -0.87 1.64 0.71 0.00 0.00 0.00 174.94 177.31 3drx h THR 132 N 5.48 0.45 -0.12 2.92 1.35 -1.93 -0.67 112.91 120.39 3drx h THR 132 Ca -0.05 0.00 0.03 0.00 -0.55 0.00 0.00 66.41 65.85 3drx h THR 132 Cb 1.01 0.45 -0.00 0.00 -1.73 0.00 0.00 68.15 67.87 3drx h THR 132 CO 0.75 0.00 0.09 0.77 -0.25 0.00 0.00 175.52 176.88 3drx h SER 133 N -0.50 0.00 0.16 5.36 4.64 -1.98 -1.32 113.55 119.92 3drx h SER 133 Ca 0.01 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 3drx h SER 133 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 3drx h SER 133 CO -0.10 0.00 -0.08 0.25 -0.87 0.00 0.00 176.83 176.03 3drx h LEU 134 N 0.00 -0.18 -0.92 5.97 5.85 -1.74 -2.68 115.31 121.60 3drx h LEU 134 Ca 0.06 -0.27 0.29 0.00 0.84 0.00 0.00 57.88 58.80 3drx h LEU 134 Cb 0.24 0.05 -0.17 0.00 0.37 0.00 0.00 40.66 41.14 3drx h LEU 134 CO -0.00 0.38 0.15 -0.38 -0.34 0.00 0.00 178.44 178.25 3drx n ILE 135 N -4.90 -0.39 0.08 4.05 5.41 -0.34 0.15 119.36 123.43 3drx n ILE 135 Ca -0.06 1.99 -0.05 0.00 1.00 0.00 0.00 62.75 65.63 3drx n ILE 135 Cb 0.22 -2.99 -0.03 0.00 -0.71 0.00 0.00 39.64 36.13 3drx n ILE 135 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 3drx h LYS 136 N 0.00 -0.27 -1.06 0.38 3.64 -1.27 -1.90 116.57 116.09 3drx h LYS 136 Ca 0.62 0.02 0.30 0.00 -1.27 0.00 0.00 60.65 60.31 3drx h LYS 136 Cb 1.40 0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 33.22 3drx h LYS 136 CO -0.83 -0.18 0.74 -0.07 -2.27 0.00 0.00 179.45 176.84 3drx h LEU 137 N -0.28 0.14 -0.23 5.20 3.38 0.07 0.16 115.31 123.75 3drx h LEU 137 Ca -0.02 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 3drx h LEU 137 Cb 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3drx h LEU 137 CO -0.02 0.03 -0.06 0.58 0.09 0.00 0.00 178.44 179.06 3drx h VAL 138 N 0.12 1.29 0.00 1.22 2.07 -0.47 -3.00 116.25 117.48 3drx h VAL 138 Ca 0.53 -1.07 -0.02 0.00 0.82 0.00 0.00 66.70 66.96 3drx h VAL 138 Cb 1.88 1.53 -0.00 0.00 -1.52 0.00 0.00 31.29 33.17 3drx h VAL 138 CO -0.09 0.33 -0.09 0.11 0.02 0.00 0.00 177.57 177.85 3drx h LYS 139 N 0.17 0.00 -0.14 1.57 1.57 0.13 -1.78 116.57 118.09 3drx h LYS 139 Ca 0.06 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 3drx h LYS 139 Cb 0.53 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.83 3drx h LYS 139 CO 0.02 0.09 -0.00 -0.44 -0.57 0.00 0.00 179.45 178.55 3drx h ASP 140 N 0.00 0.24 -0.56 0.86 3.32 -1.37 -2.66 116.42 116.25 3drx h ASP 140 Ca -0.00 -0.32 0.09 0.00 0.02 0.00 0.00 57.03 56.82 3drx h ASP 140 Cb 0.20 -0.06 -0.07 0.00 0.22 0.00 0.00 39.33 39.62 3drx h ASP 140 CO 0.01 0.50 0.18 0.50 -1.72 0.00 0.00 179.24 178.71 3drx h LYS 141 N -0.03 0.33 0.46 3.56 1.63 -1.20 0.17 116.57 121.49 3drx h LYS 141 Ca 0.04 -0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.80 3drx h LYS 141 Cb 0.38 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 31.94 3drx h LYS 141 CO 0.01 0.22 -0.22 0.82 -3.45 0.00 0.00 179.45 176.83 3drx h ILE 142 N 0.34 0.55 -0.30 2.00 2.04 -1.41 -1.44 117.51 119.30 3drx h ILE 142 Ca 0.28 -0.09 -0.04 0.00 1.00 0.00 0.00 64.86 66.01 3drx h ILE 142 Cb 0.35 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 3drx h ILE 142 CO -0.31 0.02 -0.01 0.03 0.00 0.00 0.00 178.15 177.88 3drx h ARG 143 N -0.67 0.46 -0.33 2.37 3.08 -1.21 -1.09 114.38 116.99 3drx h ARG 143 Ca -0.06 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 59.87 3drx h ARG 143 Cb 0.50 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 3drx h ARG 143 CO 0.10 0.49 0.12 1.49 -1.07 0.00 0.00 179.97 181.10 3drx h GLU 144 N 0.44 0.51 -0.00 0.04 4.81 -0.46 -1.90 114.58 118.02 3drx h GLU 144 Ca 0.10 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3drx h GLU 144 Cb 0.30 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.60 3drx h GLU 144 CO 0.01 0.52 -0.20 2.89 -0.73 0.00 0.00 179.01 181.50 3drx n ARG 145 N -4.69 0.15 -0.04 1.92 -4.01 -0.56 -2.80 116.66 106.63 3drx n ARG 145 Ca -0.01 -0.05 -0.21 0.00 -1.04 0.00 0.00 57.85 56.53 3drx n ARG 145 Cb 0.15 -1.50 -0.13 0.00 -3.04 0.00 0.00 32.46 27.95 3drx n ARG 145 CO 0.00 0.00 0.00 -0.44 -3.04 0.00 0.00 177.63 174.15 3drx h ASP 146 N 0.13 0.21 -0.07 2.89 3.45 -1.10 -2.33 116.42 119.59 3drx h ASP 146 Ca 0.00 -0.74 0.02 0.00 0.43 0.00 0.00 57.03 56.74 3drx h ASP 146 Cb 0.47 -0.07 -0.00 0.00 -0.56 0.00 0.00 39.33 39.17 3drx h ASP 146 CO 0.00 1.60 0.06 0.77 -1.57 0.00 0.00 179.24 180.10 3drx h SER 147 N -0.54 0.00 0.27 6.45 4.64 -1.42 0.15 113.55 123.10 3drx h SER 147 Ca -0.34 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.96 3drx h SER 147 Cb 1.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.70 3drx h SER 147 CO -0.05 0.00 -0.13 0.50 -0.87 0.00 0.00 176.83 176.28 3drx h LYS 148 N 0.00 -0.35 0.00 4.77 3.64 -1.62 -3.41 116.57 119.60 3drx h LYS 148 Ca 0.03 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3drx h LYS 148 Cb 0.15 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 3drx h LYS 148 CO -0.00 -0.05 0.00 2.41 -2.27 0.00 0.00 179.45 179.54 3drx n THR 149 N -5.02 0.00 -1.97 1.00 -1.04 -0.88 -4.38 114.28 101.99 3drx n THR 149 Ca -0.07 1.28 -0.39 0.00 -2.04 0.00 0.00 64.05 62.82 3drx n THR 149 Cb 0.23 -2.25 -0.03 0.00 -1.82 0.00 0.00 70.33 66.46 3drx n THR 149 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 3drx n SER 150 N -1.63 3.74 -4.65 8.00 7.64 0.47 -4.92 113.62 122.28 3drx n SER 150 Ca 0.00 -2.80 -0.43 0.00 1.01 0.00 0.00 58.87 56.65 3drx n SER 150 Cb 0.00 -1.60 -0.02 0.00 -1.01 0.00 0.00 64.21 61.58 3drx n SER 150 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 3drx s GLN 151 N 4.72 4.15 0.08 1.43 -0.44 -1.26 -4.84 119.66 123.51 3drx s GLN 151 Ca 0.57 1.16 -0.14 0.00 -2.50 0.00 0.00 55.36 54.44 3drx s GLN 151 Cb 0.07 -3.69 -0.06 0.00 -1.64 0.00 0.00 33.01 27.69 3drx s GLN 151 CO 0.06 -0.74 0.49 0.08 0.50 0.00 0.00 175.29 175.68 3drx s VAL 152 N 3.34 4.93 0.00 1.34 1.01 -1.26 -4.86 120.40 124.90 3drx s VAL 152 Ca 0.43 0.81 0.00 0.00 0.00 0.00 0.00 61.98 63.22 3drx s VAL 152 Cb -0.14 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.51 3drx s VAL 152 CO 0.10 0.39 0.00 -2.65 0.00 0.00 0.00 175.10 172.94 3drx n PRO 153 N 1.22 0.00 -2.23 2.72 -0.01 -1.26 -4.65 135.00 130.80 3drx n PRO 153 Ca -0.09 0.00 -0.32 0.00 -0.01 0.00 0.00 63.50 63.08 3drx n PRO 153 Cb 0.52 0.00 -0.04 0.00 -0.01 0.00 0.00 33.50 33.97 3drx n PRO 153 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 175.50 175.63 3drx s VAL 154 N 0.00 3.69 0.60 -1.45 -7.23 -1.26 -4.92 120.40 109.83 3drx s VAL 154 Ca 0.00 -1.05 -0.19 0.00 -1.81 0.00 0.00 61.98 58.93 3drx s VAL 154 Cb 0.00 -4.67 -0.05 0.00 0.56 0.00 0.00 36.38 32.23 3drx s VAL 154 CO 0.00 -1.31 1.01 2.29 -0.31 0.00 0.00 175.10 176.79 3drx n LYS 155 N 8.45 0.96 -4.31 4.82 2.85 -1.25 -4.65 118.16 125.03 3drx n LYS 155 Ca 0.44 0.37 -0.26 0.00 -1.05 0.00 0.00 58.31 57.81 3drx n LYS 155 Cb 0.47 -2.21 -0.08 0.00 -0.65 0.00 0.00 35.03 32.55 3drx n LYS 155 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 3drx s HIS 156 N -1.49 2.46 -0.17 5.58 3.76 -1.26 -1.87 115.29 122.30 3drx s HIS 156 Ca 0.76 -0.66 -0.05 0.00 -0.15 0.00 0.00 55.06 54.97 3drx s HIS 156 Cb -0.42 -1.88 0.07 0.00 1.11 0.00 0.00 32.58 31.46 3drx s HIS 156 CO 0.47 0.23 0.12 0.08 -0.85 0.00 0.00 174.74 174.78 3drx s VAL 157 N -2.66 -0.14 -0.06 -0.90 1.01 -0.71 -4.97 120.40 111.96 3drx s VAL 157 Ca 0.36 -0.12 -0.04 0.00 0.00 0.00 0.00 61.98 62.17 3drx s VAL 157 Cb 0.05 -0.58 -0.04 0.00 0.00 0.00 0.00 36.38 35.81 3drx s VAL 157 CO 0.20 -0.24 0.15 -0.31 0.00 0.00 0.00 175.10 174.89 3drx s TYR 158 N 2.18 3.53 -0.00 5.22 2.02 -1.26 -1.96 117.35 127.08 3drx s TYR 158 Ca 0.03 0.41 0.04 0.00 -0.37 0.00 0.00 57.07 57.19 3drx s TYR 158 Cb -0.16 -1.87 -0.01 0.00 -0.40 0.00 0.00 41.96 39.52 3drx s TYR 158 CO -0.09 0.67 -0.12 1.03 -1.57 0.00 0.00 175.55 175.47 3drx s ARG 159 N -1.47 0.98 -0.55 -0.62 0.52 -0.54 -5.01 118.95 112.26 3drx s ARG 159 Ca 0.21 -0.47 -0.08 0.00 -0.52 0.00 0.00 55.73 54.87 3drx s ARG 159 Cb -0.12 -0.95 0.14 0.00 0.52 0.00 0.00 34.95 34.54 3drx s ARG 159 CO 0.11 0.26 0.42 0.08 0.02 0.00 0.00 175.30 176.18 3drx s VAL 160 N -0.35 4.22 0.79 3.52 1.01 -1.26 -1.44 120.40 126.88 3drx s VAL 160 Ca 0.04 -2.18 -0.12 0.00 0.00 0.00 0.00 61.98 59.73 3drx s VAL 160 Cb -0.05 -3.75 0.06 0.00 0.00 0.00 0.00 36.38 32.64 3drx s VAL 160 CO -0.00 -0.83 1.10 -0.76 0.00 0.00 0.00 175.10 174.61 3drx s LEU 161 N 0.85 2.62 -0.03 3.92 1.02 -0.55 -4.86 118.68 121.64 3drx s LEU 161 Ca 0.10 1.23 0.01 0.00 0.02 0.00 0.00 54.13 55.49 3drx s LEU 161 Cb -0.22 -3.85 0.02 0.00 0.02 0.00 0.00 46.19 42.16 3drx s LEU 161 CO -0.03 -1.88 -0.02 0.00 0.02 0.00 0.00 176.35 174.44 3drx s GLN 162 N -5.22 0.52 -0.02 1.70 -2.07 -1.26 -1.61 119.66 111.69 3drx s GLN 162 Ca 0.60 -0.00 -0.01 0.00 -1.82 0.00 0.00 55.36 54.13 3drx s GLN 162 Cb -0.14 -0.62 0.02 0.00 -1.09 0.00 0.00 33.01 31.19 3drx s GLN 162 CO 0.53 -0.11 0.04 0.00 -1.32 0.00 0.00 175.29 174.44 3drx s GLN 164 N 0.76 1.86 0.20 0.00 -1.52 -1.26 -2.19 119.66 117.51 3drx s GLN 164 Ca -0.06 1.50 -0.19 0.00 -1.95 0.00 0.00 55.36 54.66 3drx s GLN 164 Cb -0.09 -1.83 0.16 0.00 -0.22 0.00 0.00 33.01 31.03 3drx s GLN 164 CO -0.02 -1.99 1.43 -0.85 -0.25 0.00 0.00 175.29 173.60 3drx n GLU 165 N -3.40 -0.26 0.00 2.91 0.28 -1.26 -2.38 120.64 116.53 3drx n GLU 165 Ca 0.11 1.41 0.00 0.00 -0.16 0.00 0.00 57.16 58.53 3drx n GLU 165 Cb 0.52 -2.09 0.00 0.00 1.43 0.00 0.00 31.44 31.30 3drx n GLU 165 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 3drx n GLU 166 N -5.31 0.00 -0.02 3.44 0.28 -1.26 -2.17 120.64 115.59 3drx n GLU 166 Ca 0.08 0.39 0.00 0.00 -0.16 0.00 0.00 57.16 57.47 3drx n GLU 166 Cb 0.34 -1.25 0.00 0.00 1.43 0.00 0.00 31.44 31.96 3drx n GLU 166 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 3drx n GLU 167 N -1.47 0.22 -0.01 3.44 0.28 -1.16 -3.33 120.64 118.62 3drx n GLU 167 Ca 0.00 0.00 -0.09 0.00 -0.16 0.00 0.00 57.16 56.91 3drx n GLU 167 Cb 0.00 -1.39 -0.08 0.00 1.43 0.00 0.00 31.44 31.40 3drx n GLU 167 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 3drx h LEU 168 N 2.18 -0.09 -0.27 -1.84 7.12 -1.06 -3.17 115.31 118.18 3drx h LEU 168 Ca 0.00 -0.47 0.03 0.00 0.13 0.00 0.00 57.88 57.57 3drx h LEU 168 Cb 0.22 0.02 -0.03 0.00 -0.53 0.00 0.00 40.66 40.34 3drx h LEU 168 CO 0.00 0.58 0.07 0.74 -0.13 0.00 0.00 178.44 179.70 3drx h THR 169 N -0.92 0.90 -0.43 1.05 2.02 -1.78 -3.00 112.91 110.74 3drx h THR 169 Ca -0.01 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.10 3drx h THR 169 Cb 0.55 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.65 3drx h THR 169 CO 0.02 0.03 0.23 1.56 0.37 0.00 0.00 175.52 177.73 3drx h GLN 170 N 0.18 0.60 -0.50 6.66 4.20 -1.82 -2.99 115.11 121.43 3drx h GLN 170 Ca 0.12 -0.07 0.10 0.00 0.06 0.00 0.00 58.65 58.86 3drx h GLN 170 Cb 0.11 -0.12 -0.09 0.00 0.30 0.00 0.00 27.48 27.69 3drx h GLN 170 CO -0.15 0.49 -0.07 1.98 -0.67 0.00 0.00 178.83 180.42 3drx h MET 171 N 0.55 0.05 0.16 1.46 4.05 -1.50 -2.32 114.93 117.38 3drx h MET 171 Ca 0.15 -0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.56 3drx h MET 171 Cb 0.07 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 30.86 3drx h MET 171 CO -0.02 0.03 -0.08 -0.39 0.23 0.00 0.00 176.91 176.68 3drx h VAL 172 N 0.05 0.00 -0.49 -5.77 -1.51 -1.59 -3.08 116.25 103.87 3drx h VAL 172 Ca 0.25 -0.23 0.04 0.00 -1.23 0.00 0.00 66.70 65.54 3drx h VAL 172 Cb 0.38 0.00 -0.06 0.00 -2.13 0.00 0.00 31.29 29.48 3drx h VAL 172 CO -0.47 0.00 -0.29 -0.24 -1.23 0.00 0.00 177.57 175.34 3drx n SER 173 N -3.19 -0.52 -2.00 4.19 2.88 -1.13 0.16 113.62 114.01 3drx n SER 173 Ca -0.03 0.99 -0.21 0.00 -1.33 0.00 0.00 58.87 58.29 3drx n SER 173 Cb 0.08 -0.17 0.05 0.00 -0.75 0.00 0.00 64.21 63.43 3drx n SER 173 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3drx n THR 174 N -4.34 2.97 -1.03 2.46 -2.24 -0.88 -4.97 114.28 106.26 3drx n THR 174 Ca 0.01 -1.95 -0.34 0.00 -2.27 0.00 0.00 64.05 59.49 3drx n THR 174 Cb 0.13 -1.24 0.10 0.00 -2.10 0.00 0.00 70.33 67.22 3drx n THR 174 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 3drx n MET 175 N -0.05 0.02 -0.73 -0.78 1.56 0.43 -4.95 117.12 112.61 3drx n MET 175 Ca 0.39 0.06 -0.29 0.00 -0.27 0.00 0.00 57.70 57.59 3drx n MET 175 Cb 0.65 -1.94 0.20 0.00 2.15 0.00 0.00 33.22 34.29 3drx n MET 175 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 3drx s SER 176 N -1.82 2.05 0.19 6.12 0.15 -1.26 -4.90 113.70 114.23 3drx s SER 176 Ca 0.63 1.70 -0.25 0.00 0.70 0.00 0.00 55.95 58.73 3drx s SER 176 Cb -0.28 -2.34 0.07 0.00 -1.71 0.00 0.00 66.02 61.76 3drx s SER 176 CO 0.61 -3.56 1.55 -0.78 1.20 0.00 0.00 173.24 172.25 3drx h ASP 177 N -2.19 -1.79 -0.53 5.45 -0.00 -2.02 -2.68 116.42 112.66 3drx h ASP 177 Ca -0.54 0.31 -0.38 0.00 -0.00 0.00 0.00 57.03 56.42 3drx h ASP 177 Cb 1.30 0.84 -0.28 0.00 -0.00 0.00 0.00 39.33 41.19 3drx h ASP 177 CO 0.49 -0.27 -0.59 0.61 -0.00 0.00 0.00 179.24 179.48 3drx n GLY 178 N -1.36 5.93 3.43 -0.78 0.00 -1.26 -5.05 105.19 106.10 3drx n GLY 178 Ca 0.05 -2.18 -0.37 0.00 0.00 0.00 0.00 46.02 43.53 3drx n GLY 178 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3drx s TRP 179 N -3.49 3.09 0.15 1.61 0.52 -1.01 -4.54 118.94 115.27 3drx s TRP 179 Ca 0.48 -0.52 -0.28 0.00 0.02 0.00 0.00 56.10 55.80 3drx s TRP 179 Cb 0.40 -2.24 -0.07 0.00 -1.15 0.00 0.00 33.47 30.41 3drx s TRP 179 CO 0.00 -0.40 0.88 0.15 0.02 0.00 0.00 176.95 177.60 3drx s LYS 180 N 1.60 4.68 0.33 4.98 -0.14 -0.42 -4.79 119.74 125.98 3drx s LYS 180 Ca 0.06 1.33 -0.29 0.00 -1.36 0.00 0.00 55.97 55.71 3drx s LYS 180 Cb -0.15 -3.32 -0.10 0.00 -1.68 0.00 0.00 37.83 32.58 3drx s LYS 180 CO 0.03 0.40 1.29 0.12 -0.76 0.00 0.00 175.35 176.43 3drx s PHE 181 N -0.62 3.08 -0.00 3.18 5.36 -1.26 -0.43 117.98 127.28 3drx s PHE 181 Ca 0.41 1.44 -0.00 0.00 -0.96 0.00 0.00 56.93 57.82 3drx s PHE 181 Cb -0.24 -3.64 -0.00 0.00 -0.34 0.00 0.00 43.02 38.80 3drx s PHE 181 CO 0.28 -1.76 -0.00 0.39 -1.46 0.00 0.00 175.22 172.68 3drx n GLU 182 N 0.77 0.01 -3.51 10.12 -0.58 -0.30 -4.85 120.64 122.30 3drx n GLU 182 Ca 0.00 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.62 3drx n GLU 182 Cb 0.42 -0.83 -0.04 0.00 -0.57 0.00 0.00 31.44 30.42 3drx n GLU 182 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 3drx s GLN 183 N -2.01 0.94 -0.07 3.49 0.74 -1.05 -4.98 119.66 116.72 3drx s GLN 183 Ca -0.00 -0.04 0.05 0.00 0.05 0.00 0.00 55.36 55.42 3drx s GLN 183 Cb 0.00 0.44 -0.01 0.00 1.10 0.00 0.00 33.01 34.54 3drx s GLN 183 CO 0.01 -0.35 -0.24 -1.17 -0.55 0.00 0.00 175.29 172.99 3drx s LEU 184 N -1.77 2.05 0.12 3.68 2.96 -1.26 0.19 118.68 124.64 3drx s LEU 184 Ca -0.03 -0.51 0.07 0.00 -0.22 0.00 0.00 54.13 53.44 3drx s LEU 184 Cb -0.01 -1.34 -0.04 0.00 0.50 0.00 0.00 46.19 45.31 3drx s LEU 184 CO -0.01 0.21 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.37 3drx s VAL 185 N 0.00 1.48 0.25 1.68 1.01 0.45 -4.96 120.40 120.31 3drx s VAL 185 Ca -0.08 -1.63 0.11 0.00 0.00 0.00 0.00 61.98 60.38 3drx s VAL 185 Cb -0.15 -1.51 -0.05 0.00 0.00 0.00 0.00 36.38 34.68 3drx s VAL 185 CO 0.05 -0.26 -0.19 -0.55 0.00 0.00 0.00 175.10 174.15 3drx s SER 186 N -2.21 3.26 -0.29 3.32 0.15 -1.26 0.24 113.70 116.91 3drx s SER 186 Ca 0.07 -1.01 0.03 0.00 0.70 0.00 0.00 55.95 55.74 3drx s SER 186 Cb -0.07 -0.25 0.17 0.00 -1.71 0.00 0.00 66.02 64.16 3drx s SER 186 CO 0.04 -0.02 0.46 -0.63 1.20 0.00 0.00 173.24 174.29 3drx s ILE 187 N -2.58 -0.74 0.00 6.45 1.01 -0.14 -4.93 121.20 120.28 3drx s ILE 187 Ca 0.27 -0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.72 3drx s ILE 187 Cb -0.04 -0.98 0.00 0.00 0.01 0.00 0.00 42.46 41.45 3drx s ILE 187 CO 0.12 -0.19 0.61 0.61 0.00 0.00 0.00 174.94 176.09 3drx n GLY 188 N 5.37 1.03 0.37 6.18 0.00 -1.26 -4.68 105.19 112.21 3drx n GLY 188 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3drx n GLY 188 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3drx n ALA 199 N 3.87 -1.00 0.00 4.61 0.00 -1.26 -5.23 120.51 121.50 3drx n ALA 199 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3drx n ALA 199 Cb 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 19.45 19.26 3drx n ALA 199 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3drx n GLU 200 N -0.66 0.00 -5.13 0.00 -0.58 -1.26 -5.00 120.64 108.01 3drx n GLU 200 Ca 0.00 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.45 3drx n GLU 200 Cb 0.00 -0.13 -0.16 0.00 -0.57 0.00 0.00 31.44 30.57 3drx n GLU 200 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 3drx s PHE 201 N -1.86 2.16 -0.16 -0.32 0.40 -0.93 -0.97 117.98 116.30 3drx s PHE 201 Ca 0.00 -0.57 -0.06 0.00 -0.60 0.00 0.00 56.93 55.70 3drx s PHE 201 Cb 0.00 -1.41 -0.03 0.00 0.51 0.00 0.00 43.02 42.08 3drx s PHE 201 CO 0.00 -0.15 0.02 -0.51 0.70 0.00 0.00 175.22 175.27 3drx s LEU 202 N -0.22 3.58 -0.26 -0.37 1.43 0.14 -1.35 118.68 121.63 3drx s LEU 202 Ca -0.00 0.01 0.03 0.00 -1.03 0.00 0.00 54.13 53.13 3drx s LEU 202 Cb -0.12 -1.88 0.06 0.00 0.03 0.00 0.00 46.19 44.28 3drx s LEU 202 CO 0.02 0.19 -0.09 0.00 0.23 0.00 0.00 176.35 176.69 3drx s VAL 204 N 1.13 4.23 0.03 0.00 1.01 0.13 -1.48 120.40 125.44 3drx s VAL 204 Ca -0.08 2.00 -0.03 0.00 0.00 0.00 0.00 61.98 63.87 3drx s VAL 204 Cb -0.20 -4.28 -0.02 0.00 0.00 0.00 0.00 36.38 31.88 3drx s VAL 204 CO -0.05 0.47 0.03 0.54 0.00 0.00 0.00 175.10 176.08 3drx s VAL 205 N -0.91 0.13 0.26 2.92 0.11 -0.52 -1.15 120.40 121.23 3drx s VAL 205 Ca 0.41 -1.09 0.02 0.00 -2.93 0.00 0.00 61.98 58.38 3drx s VAL 205 Cb -0.25 -0.69 -0.04 0.00 -1.53 0.00 0.00 36.38 33.87 3drx s VAL 205 CO 0.30 -0.60 0.15 -0.94 -3.33 0.00 0.00 175.10 170.68 3drx s SER 206 N -1.91 0.96 -0.20 3.54 1.04 0.43 -1.47 113.70 116.09 3drx s SER 206 Ca -0.08 -1.48 -0.14 0.00 0.48 0.00 0.00 55.95 54.72 3drx s SER 206 Cb -0.04 0.35 0.06 0.00 0.10 0.00 0.00 66.02 66.49 3drx s SER 206 CO -0.03 -0.85 0.52 -0.75 0.98 0.00 0.00 173.24 173.10 3drx s LYS 207 N -3.95 0.55 -0.07 4.02 2.20 -0.83 -1.30 119.74 120.36 3drx s LYS 207 Ca 0.38 0.86 -0.13 0.00 -0.36 0.00 0.00 55.97 56.71 3drx s LYS 207 Cb 0.06 0.14 -0.05 0.00 -1.51 0.00 0.00 37.83 36.48 3drx s LYS 207 CO 0.16 -0.12 0.34 -1.21 -0.36 0.00 0.00 175.35 174.15 3drx s GLU 208 N 0.98 3.96 -0.07 4.03 2.02 -1.26 -1.74 118.70 126.62 3drx s GLU 208 Ca -0.06 0.24 0.02 0.00 0.02 0.00 0.00 54.97 55.19 3drx s GLU 208 Cb -0.06 -3.29 -0.03 0.00 0.10 0.00 0.00 34.13 30.86 3drx s GLU 208 CO -0.09 0.54 -0.11 -0.51 0.02 0.00 0.00 175.26 175.11 3drx s LEU 209 N -0.52 2.89 -0.08 1.80 1.43 -0.78 -5.02 118.68 118.39 3drx s LEU 209 Ca 0.21 -0.16 0.03 0.00 -1.03 0.00 0.00 54.13 53.18 3drx s LEU 209 Cb -0.15 -1.61 0.01 0.00 0.03 0.00 0.00 46.19 44.47 3drx s LEU 209 CO 0.09 0.32 -0.16 -1.00 0.23 0.00 0.00 176.35 175.83 3drx s HIS 210 N -0.56 1.87 0.00 0.29 3.76 -1.26 -3.80 115.29 115.58 3drx s HIS 210 Ca 0.08 -0.76 0.00 0.00 -0.15 0.00 0.00 55.06 54.23 3drx s HIS 210 Cb -0.12 -1.32 0.00 0.00 1.11 0.00 0.00 32.58 32.26 3drx s HIS 210 CO 0.02 -0.36 0.35 0.09 -0.85 0.00 0.00 174.74 173.99