#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sr3 h ARG 31 N 0.00 -0.20 -5.92 3.23 2.43 -2.13 -3.45 114.38 108.33 1sr3 h ARG 31 Ca 0.00 0.01 -0.57 0.00 -0.81 0.00 0.00 59.98 58.62 1sr3 h ARG 31 Cb 0.00 0.05 -0.08 0.00 -0.42 0.00 0.00 29.97 29.51 1sr3 h ARG 31 CO 0.00 0.23 -0.50 -1.12 -1.51 0.00 0.00 179.97 177.07 1sr3 s SER 32 N -5.47 4.43 -0.13 -3.80 0.01 -1.26 -5.14 113.70 102.34 1sr3 s SER 32 Ca -0.13 -1.05 0.00 0.00 1.31 0.00 0.00 55.95 56.08 1sr3 s SER 32 Cb 0.01 -0.50 0.02 0.00 0.21 0.00 0.00 66.02 65.76 1sr3 s SER 32 CO 0.50 -0.51 -0.11 0.20 0.41 0.00 0.00 173.24 173.73 1sr3 s ASN 33 N -3.89 2.42 0.72 2.44 -0.87 -1.26 -5.13 114.94 109.37 1sr3 s ASN 33 Ca 0.41 -0.40 -0.11 0.00 -1.57 0.00 0.00 52.86 51.19 1sr3 s ASN 33 Cb 0.03 -1.01 0.03 0.00 -0.02 0.00 0.00 41.25 40.28 1sr3 s ASN 33 CO 0.22 -0.08 1.08 -0.63 -2.57 0.00 0.00 177.10 175.12 1sr3 s ILE 34 N 1.54 3.64 0.18 0.60 -1.09 -1.26 -4.99 121.20 119.82 1sr3 s ILE 34 Ca 0.04 0.56 -0.32 0.00 -2.23 0.00 0.00 60.65 58.70 1sr3 s ILE 34 Cb -0.13 -3.16 -0.11 0.00 -1.58 0.00 0.00 42.46 37.48 1sr3 s ILE 34 CO -0.09 -0.67 1.64 -1.81 -1.23 0.00 0.00 174.94 172.78 1sr3 s ASP 35 N -3.46 6.50 1.21 3.58 1.01 -1.26 -4.99 116.67 119.26 1sr3 s ASP 35 Ca 0.60 2.72 -0.15 0.00 0.71 0.00 0.00 52.55 56.44 1sr3 s ASP 35 Cb -0.16 -2.60 0.22 0.00 1.01 0.00 0.00 42.92 41.39 1sr3 s ASP 35 CO 0.53 -0.89 0.68 0.00 0.21 0.00 0.00 175.17 175.71 1sr3 n LEU 36 N 4.02 0.00 -3.62 1.23 -0.00 -1.26 -5.09 117.00 112.28 1sr3 n LEU 36 Ca 0.15 -0.72 -0.10 0.00 -0.00 0.00 0.00 56.01 55.34 1sr3 n LEU 36 Cb 0.37 -0.67 -0.03 0.00 -0.00 0.00 0.00 43.42 43.09 1sr3 n LEU 36 CO 0.63 -1.97 0.29 0.12 -0.00 0.00 0.00 177.39 176.45 1sr3 s PHE 37 N -2.14 -0.27 0.26 1.47 5.36 -1.26 -4.55 117.98 116.84 1sr3 s PHE 37 Ca 0.46 -0.03 -0.04 0.00 -0.96 0.00 0.00 56.93 56.36 1sr3 s PHE 37 Cb -0.06 0.42 -0.02 0.00 -0.34 0.00 0.00 43.02 43.02 1sr3 s PHE 37 CO 0.37 -0.85 0.34 0.71 -1.46 0.00 0.00 175.22 174.33 1sr3 s TYR 38 N -3.82 0.95 0.18 10.12 1.51 -0.51 -4.95 117.35 120.83 1sr3 s TYR 38 Ca 0.05 -1.18 0.01 0.00 -1.01 0.00 0.00 57.07 54.94 1sr3 s TYR 38 Cb -0.00 -0.22 -0.05 0.00 -0.11 0.00 0.00 41.96 41.58 1sr3 s TYR 38 CO -0.08 -0.90 0.02 0.95 -1.11 0.00 0.00 175.55 174.43 1sr3 s THR 39 N -3.76 0.59 -1.14 -0.71 -4.23 -1.26 -2.37 115.64 102.77 1sr3 s THR 39 Ca 0.32 -1.98 0.03 0.00 -1.18 0.00 0.00 61.69 58.88 1sr3 s THR 39 Cb 0.02 -2.20 0.04 0.00 1.34 0.00 0.00 72.50 71.70 1sr3 s THR 39 CO 0.15 -0.40 1.04 -2.65 -0.54 0.00 0.00 174.62 172.23 1sr3 n PRO 40 N -0.26 0.01 -0.10 3.99 -0.02 -1.26 -0.83 135.00 136.53 1sr3 n PRO 40 Ca -0.05 0.38 -0.17 0.00 -2.02 0.00 0.00 63.50 61.64 1sr3 n PRO 40 Cb 0.64 -1.50 -0.13 0.00 -0.02 0.00 0.00 33.50 32.49 1sr3 n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sr3 n GLY 41 N -1.12 -0.51 1.12 -1.23 0.00 -1.26 -2.29 105.19 99.90 1sr3 n GLY 41 Ca 0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 46.02 45.81 1sr3 n GLY 41 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1sr3 n GLU 42 N -3.19 2.11 -0.10 1.61 -0.58 -0.01 -0.81 120.64 119.67 1sr3 n GLU 42 Ca -0.41 -1.10 -0.22 0.00 -0.42 0.00 0.00 57.16 55.01 1sr3 n GLU 42 Cb 1.03 -1.67 -0.07 0.00 -0.57 0.00 0.00 31.44 30.16 1sr3 n GLU 42 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 1sr3 n ILE 43 N 0.13 1.20 0.12 -3.67 5.41 -1.15 -3.24 119.36 118.16 1sr3 n ILE 43 Ca 0.13 -0.25 -0.24 0.00 1.00 0.00 0.00 62.75 63.39 1sr3 n ILE 43 Cb 0.68 -1.83 -0.16 0.00 -0.71 0.00 0.00 39.64 37.63 1sr3 n ILE 43 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 176.55 176.72 1sr3 h LEU 44 N -0.77 0.75 -0.25 1.39 -0.00 -1.71 -2.89 115.31 111.84 1sr3 h LEU 44 Ca -0.49 -0.93 0.00 0.00 -0.00 0.00 0.00 57.88 56.46 1sr3 h LEU 44 Cb 1.41 -0.25 0.00 0.00 -0.00 0.00 0.00 40.66 41.82 1sr3 h LEU 44 CO -0.30 1.63 0.00 -1.22 -0.00 0.00 0.00 178.44 178.55 1sr3 n TYR 45 N -3.83 0.04 -0.82 0.17 4.01 0.01 -5.03 117.16 111.71 1sr3 n TYR 45 Ca -0.16 -0.02 0.11 0.00 -0.16 0.00 0.00 57.90 57.66 1sr3 n TYR 45 Cb 1.03 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 40.02 1sr3 n TYR 45 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1sr3 n GLY 46 N 0.87 -2.30 3.89 2.72 0.00 -1.09 -4.96 105.19 104.32 1sr3 n GLY 46 Ca 0.15 -1.28 -0.29 0.00 0.00 0.00 0.00 46.02 44.60 1sr3 n GLY 46 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1sr3 s LYS 47 N -2.65 3.65 0.27 1.61 2.20 0.45 -4.16 119.74 121.12 1sr3 s LYS 47 Ca 0.00 0.38 0.16 0.00 -0.36 0.00 0.00 55.97 56.15 1sr3 s LYS 47 Cb 0.00 -2.35 0.06 0.00 -1.51 0.00 0.00 37.83 34.03 1sr3 s LYS 47 CO 0.00 -0.17 1.39 0.07 -0.36 0.00 0.00 175.35 176.28 1sr3 h ARG 48 N 0.62 0.00 0.24 4.03 0.11 -1.91 -1.43 114.38 116.04 1sr3 h ARG 48 Ca -0.47 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.60 1sr3 h ARG 48 Cb 1.20 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.28 1sr3 h ARG 48 CO 0.63 0.45 -0.12 0.93 0.10 0.00 0.00 179.97 181.96 1sr3 h GLU 49 N 0.00 -0.31 0.00 0.08 3.07 -1.97 -3.40 114.58 112.05 1sr3 h GLU 49 Ca -0.02 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1sr3 h GLU 49 Cb 1.38 0.07 0.00 0.00 -0.84 0.00 0.00 28.75 29.36 1sr3 h GLU 49 CO 0.06 -0.16 -0.04 -2.37 -1.40 0.00 0.00 179.01 175.10 1sr3 n THR 50 N -5.20 0.00 -2.99 1.13 5.66 -1.25 -5.07 114.28 106.55 1sr3 n THR 50 Ca -0.09 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.76 1sr3 n THR 50 Cb 0.17 0.37 0.02 0.00 -1.55 0.00 0.00 70.33 69.34 1sr3 n THR 50 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1sr3 n GLN 51 N 0.00 -2.28 -4.33 1.09 3.00 -0.54 -5.01 117.38 109.31 1sr3 n GLN 51 Ca 0.00 1.97 -0.17 0.00 -0.01 0.00 0.00 57.00 58.79 1sr3 n GLN 51 Cb 0.52 -4.94 -0.10 0.00 0.00 0.00 0.00 30.24 25.72 1sr3 n GLN 51 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.06 178.20 1sr3 s GLN 52 N -2.60 1.35 -0.21 -1.09 -2.07 -1.25 -4.80 119.66 108.99 1sr3 s GLN 52 Ca 0.27 -1.69 -0.06 0.00 -1.82 0.00 0.00 55.36 52.06 1sr3 s GLN 52 Cb -0.06 -0.57 -0.03 0.00 -1.09 0.00 0.00 33.01 31.26 1sr3 s GLN 52 CO 0.79 -0.13 0.03 -1.64 -1.32 0.00 0.00 175.29 173.03 1sr3 s MET 53 N -3.89 3.69 0.75 9.60 -1.94 -1.26 -0.41 119.30 125.84 1sr3 s MET 53 Ca 0.30 -0.48 -0.14 0.00 -1.71 0.00 0.00 55.69 53.65 1sr3 s MET 53 Cb 0.06 -3.17 0.05 0.00 2.01 0.00 0.00 34.83 33.78 1sr3 s MET 53 CO 0.09 0.00 1.20 -1.25 -0.01 0.00 0.00 175.02 175.06 1sr3 s PRO 54 N 1.05 2.02 0.02 2.03 0.04 -1.26 -4.98 135.00 133.92 1sr3 s PRO 54 Ca 0.03 1.73 -0.30 0.00 0.04 0.00 0.00 61.00 62.49 1sr3 s PRO 54 Cb -0.14 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.54 1sr3 s PRO 54 CO 0.02 -1.92 0.99 -2.00 0.04 0.00 0.00 177.00 174.13 1sr3 s GLU 55 N -4.01 4.58 0.00 4.56 2.12 -1.26 -4.92 118.70 119.77 1sr3 s GLU 55 Ca 0.73 1.44 0.01 0.00 0.36 0.00 0.00 54.97 57.51 1sr3 s GLU 55 Cb -0.28 -3.44 0.04 0.00 0.26 0.00 0.00 34.13 30.70 1sr3 s GLU 55 CO 0.47 -0.01 1.01 0.28 -0.54 0.00 0.00 175.26 176.47 1sr3 n VAL 56 N 3.71 1.89 0.55 3.70 0.31 -1.26 -2.44 118.33 124.79 1sr3 n VAL 56 Ca 0.05 0.47 0.12 0.00 -0.01 0.00 0.00 64.34 64.98 1sr3 n VAL 56 Cb 0.51 -1.46 0.17 0.00 -0.91 0.00 0.00 33.84 32.15 1sr3 n VAL 56 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1sr3 n GLY 57 N -1.40 1.48 3.76 2.92 0.00 -1.26 -4.29 105.19 106.39 1sr3 n GLY 57 Ca 0.00 -0.72 -0.27 0.00 0.00 0.00 0.00 46.02 45.02 1sr3 n GLY 57 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1sr3 s GLN 58 N -1.67 2.19 -0.13 1.61 -2.07 -1.02 -4.92 119.66 113.64 1sr3 s GLN 58 Ca 0.35 -2.04 -0.10 0.00 -1.82 0.00 0.00 55.36 51.75 1sr3 s GLN 58 Cb 0.22 -1.86 -0.05 0.00 -1.09 0.00 0.00 33.01 30.23 1sr3 s GLN 58 CO 0.31 -0.26 0.20 -0.98 -1.32 0.00 0.00 175.29 173.24 1sr3 s ARG 59 N -3.94 3.86 0.33 9.60 1.70 -1.26 -2.03 118.95 127.21 1sr3 s ARG 59 Ca 0.31 -0.04 -0.16 0.00 -0.47 0.00 0.00 55.73 55.37 1sr3 s ARG 59 Cb 0.03 -3.30 0.03 0.00 -0.57 0.00 0.00 34.95 31.14 1sr3 s ARG 59 CO 0.17 0.53 0.71 -0.48 -1.08 0.00 0.00 175.30 175.15 1sr3 s LEU 60 N -0.37 0.03 0.09 -1.89 -0.00 -0.25 -4.98 118.68 111.32 1sr3 s LEU 60 Ca 0.14 -0.97 0.04 0.00 -0.00 0.00 0.00 54.13 53.35 1sr3 s LEU 60 Cb -0.13 2.59 -0.03 0.00 -0.00 0.00 0.00 46.19 48.62 1sr3 s LEU 60 CO 0.04 -1.49 -0.12 0.00 -0.00 0.00 0.00 176.35 174.78 1sr3 s ARG 61 N -3.09 0.85 -0.01 1.48 1.70 -1.26 -0.93 118.95 117.69 1sr3 s ARG 61 Ca 0.16 -1.09 0.01 0.00 -0.47 0.00 0.00 55.73 54.34 1sr3 s ARG 61 Cb -0.05 -0.67 0.00 0.00 -0.57 0.00 0.00 34.95 33.67 1sr3 s ARG 61 CO 0.10 0.12 -0.02 0.08 -1.08 0.00 0.00 175.30 174.51 1sr3 s VAL 62 N -1.98 0.18 -0.18 4.99 1.01 -0.06 -1.42 120.40 122.95 1sr3 s VAL 62 Ca 0.03 -0.07 0.01 0.00 0.00 0.00 0.00 61.98 61.95 1sr3 s VAL 62 Cb -0.06 -0.18 0.04 0.00 0.00 0.00 0.00 36.38 36.18 1sr3 s VAL 62 CO 0.01 0.07 -0.12 -0.83 0.00 0.00 0.00 175.10 174.23 1sr3 s GLY 63 N 0.12 1.22 0.15 4.51 0.00 -1.00 -0.07 107.32 112.26 1sr3 s GLY 63 Ca -0.01 -1.11 -0.06 0.00 0.00 0.00 0.00 44.72 43.54 1sr3 s GLY 63 CO -0.00 0.64 0.20 -0.32 0.00 0.00 0.00 173.10 173.61 1sr3 s GLY 64 N 1.42 0.67 -0.15 0.20 0.00 -0.65 -4.26 107.32 104.55 1sr3 s GLY 64 Ca 0.01 -1.11 -0.29 0.00 0.00 0.00 0.00 44.72 43.33 1sr3 s GLY 64 CO -0.09 -1.04 1.02 -0.29 0.00 0.00 0.00 173.10 172.71 1sr3 s MET 65 N -4.00 4.36 0.08 2.90 1.75 0.78 -1.15 119.30 124.03 1sr3 s MET 65 Ca 0.20 1.38 -0.31 0.00 -1.25 0.00 0.00 55.69 55.71 1sr3 s MET 65 Cb 0.05 -3.58 -0.09 0.00 2.84 0.00 0.00 34.83 34.05 1sr3 s MET 65 CO 0.01 -0.44 1.67 0.08 -0.65 0.00 0.00 175.02 175.68 1sr3 s VAL 66 N 2.47 2.94 -0.11 10.11 1.01 -0.41 -0.60 120.40 135.82 1sr3 s VAL 66 Ca 0.47 0.43 -0.36 0.00 0.00 0.00 0.00 61.98 62.52 1sr3 s VAL 66 Cb -0.17 -3.28 -0.13 0.00 0.00 0.00 0.00 36.38 32.80 1sr3 s VAL 66 CO 0.13 0.00 1.79 0.23 0.00 0.00 0.00 175.10 177.25 1sr3 n MET 67 N 5.48 1.84 -2.21 2.72 2.81 -0.32 -1.83 117.12 125.61 1sr3 n MET 67 Ca 0.16 0.67 -0.32 0.00 -1.81 0.00 0.00 57.70 56.40 1sr3 n MET 67 Cb 0.40 -2.45 -0.04 0.00 -0.71 0.00 0.00 33.22 30.41 1sr3 n MET 67 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 1sr3 s PRO 68 N 3.46 2.88 0.00 0.03 0.04 -1.26 -3.00 135.00 137.15 1sr3 s PRO 68 Ca 0.93 -0.43 0.00 0.00 0.04 0.00 0.00 61.00 61.54 1sr3 s PRO 68 Cb -0.81 -5.03 0.00 0.00 0.04 0.00 0.00 34.50 28.69 1sr3 s PRO 68 CO 0.54 -2.93 0.00 0.41 0.04 0.00 0.00 177.00 175.06 1sr3 n GLY 69 N 6.68 0.80 0.00 0.56 0.00 -1.26 -5.03 105.19 106.94 1sr3 n GLY 69 Ca 0.34 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.56 1sr3 n GLY 69 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1sr3 n SER 70 N 0.00 0.00 -4.56 1.61 7.64 -1.16 -5.06 113.62 112.09 1sr3 n SER 70 Ca 0.00 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.61 1sr3 n SER 70 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 1sr3 n SER 70 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1sr3 s VAL 71 N -0.33 3.26 -1.39 0.44 1.01 -1.26 -4.20 120.40 117.93 1sr3 s VAL 71 Ca 0.00 -0.12 -0.15 0.00 0.00 0.00 0.00 61.98 61.71 1sr3 s VAL 71 Cb 0.00 -3.62 0.06 0.00 0.00 0.00 0.00 36.38 32.82 1sr3 s VAL 71 CO 0.00 -0.59 2.04 0.00 0.00 0.00 0.00 175.10 176.55 1sr3 n GLN 72 N 8.93 3.02 -2.29 2.72 6.02 0.97 -4.93 117.38 131.82 1sr3 n GLN 72 Ca 0.38 -2.90 -0.41 0.00 -0.01 0.00 0.00 57.00 54.06 1sr3 n GLN 72 Cb 0.48 -3.33 -0.03 0.00 1.02 0.00 0.00 30.24 28.38 1sr3 n GLN 72 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1sr3 s ARG 73 N 3.31 4.46 0.01 -1.09 0.52 -1.26 -1.88 118.95 123.03 1sr3 s ARG 73 Ca 0.49 1.99 -0.30 0.00 -0.52 0.00 0.00 55.73 57.38 1sr3 s ARG 73 Cb 0.10 -3.18 -0.05 0.00 0.52 0.00 0.00 34.95 32.34 1sr3 s ARG 73 CO -0.03 -0.10 1.28 0.34 0.02 0.00 0.00 175.30 176.81 1sr3 s ASP 74 N -0.15 6.98 0.00 0.23 -1.08 -0.04 -4.89 116.67 117.72 1sr3 s ASP 74 Ca 0.51 2.01 0.18 0.00 -0.52 0.00 0.00 52.55 54.74 1sr3 s ASP 74 Cb -0.35 -2.57 0.87 0.00 -1.46 0.00 0.00 42.92 39.41 1sr3 s ASP 74 CO 0.41 -0.60 1.58 -0.81 0.52 0.00 0.00 175.17 176.28 1sr3 n PRO 75 N 4.74 0.15 0.00 4.34 -0.04 -1.26 -3.01 135.00 139.92 1sr3 n PRO 75 Ca 0.11 0.14 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 1sr3 n PRO 75 Cb 0.45 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 1sr3 n PRO 75 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1sr3 n ASN 76 N -1.38 0.54 -3.83 3.54 3.02 -1.26 -5.11 115.26 110.79 1sr3 n ASN 76 Ca 0.07 -1.02 -0.14 0.00 -0.03 0.00 0.00 54.58 53.47 1sr3 n ASN 76 Cb 0.18 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.27 1sr3 n ASN 76 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1sr3 s SER 77 N -0.02 0.56 0.00 6.41 0.01 -1.17 -5.05 113.70 114.45 1sr3 s SER 77 Ca 0.00 -1.41 0.27 0.00 1.31 0.00 0.00 55.95 56.13 1sr3 s SER 77 Cb 0.00 0.50 0.96 0.00 0.21 0.00 0.00 66.02 67.69 1sr3 s SER 77 CO 0.00 -1.01 1.69 0.18 0.41 0.00 0.00 173.24 174.51 1sr3 n LEU 78 N -0.41 1.26 -4.67 2.44 4.32 -1.26 -4.00 117.00 114.68 1sr3 n LEU 78 Ca 0.02 -0.39 -0.43 0.00 -0.02 0.00 0.00 56.01 55.20 1sr3 n LEU 78 Cb 0.64 -0.05 -0.01 0.00 -1.62 0.00 0.00 43.42 42.38 1sr3 n LEU 78 CO 0.30 0.22 0.83 1.17 -1.22 0.00 0.00 177.39 178.69 1sr3 n LYS 79 N -0.19 1.94 -3.66 3.23 0.00 -1.26 -0.42 118.16 117.81 1sr3 n LYS 79 Ca 0.16 0.68 -0.06 0.00 0.00 0.00 0.00 58.31 59.09 1sr3 n LYS 79 Cb 0.35 -2.22 -0.08 0.00 0.00 0.00 0.00 35.03 33.08 1sr3 n LYS 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1sr3 s VAL 80 N -1.05 -0.64 -0.12 3.15 0.11 0.13 -0.86 120.40 121.12 1sr3 s VAL 80 Ca 0.56 0.10 0.02 0.00 -2.93 0.00 0.00 61.98 59.73 1sr3 s VAL 80 Cb -0.60 -0.79 -0.01 0.00 -1.53 0.00 0.00 36.38 33.45 1sr3 s VAL 80 CO 0.61 0.04 -0.18 -0.89 -3.33 0.00 0.00 175.10 171.35 1sr3 s THR 81 N 2.50 2.60 0.28 5.04 2.01 -0.79 -0.52 115.64 126.76 1sr3 s THR 81 Ca -0.04 -0.82 0.04 0.00 0.31 0.00 0.00 61.69 61.17 1sr3 s THR 81 Cb -0.11 -2.05 -0.03 0.00 0.01 0.00 0.00 72.50 70.31 1sr3 s THR 81 CO -0.15 0.54 0.21 0.72 -0.69 0.00 0.00 174.62 175.25 1sr3 s PHE 82 N 0.36 1.52 0.02 4.92 -0.71 -0.53 -0.02 117.98 123.54 1sr3 s PHE 82 Ca -0.14 -1.54 0.07 0.00 -1.04 0.00 0.00 56.93 54.28 1sr3 s PHE 82 Cb -0.17 -0.66 -0.02 0.00 -1.21 0.00 0.00 43.02 40.96 1sr3 s PHE 82 CO 0.07 -0.76 -0.21 0.99 -1.34 0.00 0.00 175.22 173.96 1sr3 s THR 83 N -3.73 1.70 -0.04 -4.49 2.01 -1.26 -0.54 115.64 109.29 1sr3 s THR 83 Ca 0.40 -1.08 0.06 0.00 0.31 0.00 0.00 61.69 61.37 1sr3 s THR 83 Cb 0.04 -1.45 -0.01 0.00 0.01 0.00 0.00 72.50 71.09 1sr3 s THR 83 CO 0.21 0.33 -0.22 0.27 -0.69 0.00 0.00 174.62 174.53 1sr3 s ILE 84 N -0.67 1.78 0.43 1.82 -4.36 -0.29 -1.17 121.20 118.74 1sr3 s ILE 84 Ca 0.08 -0.93 0.04 0.00 -0.26 0.00 0.00 60.65 59.58 1sr3 s ILE 84 Cb -0.09 -1.50 -0.02 0.00 1.25 0.00 0.00 42.46 42.11 1sr3 s ILE 84 CO 0.01 0.50 0.15 -0.72 0.24 0.00 0.00 174.94 175.12 1sr3 s TYR 85 N -0.24 1.78 0.00 1.37 1.13 0.23 -0.39 117.35 121.23 1sr3 s TYR 85 Ca 0.01 -1.37 0.00 0.00 -1.41 0.00 0.00 57.07 54.30 1sr3 s TYR 85 Cb -0.11 -1.13 0.00 0.00 -1.10 0.00 0.00 41.96 39.62 1sr3 s TYR 85 CO 0.02 -0.38 0.00 -3.47 -2.51 0.00 0.00 175.55 169.20 1sr3 n ASP 86 N -1.48 0.00 -0.70 -0.18 2.03 -0.98 -0.16 116.55 115.08 1sr3 n ASP 86 Ca -0.06 0.00 0.11 0.00 0.52 0.00 0.00 54.79 55.36 1sr3 n ASP 86 Cb 0.64 0.00 0.05 0.00 -0.72 0.00 0.00 41.12 41.09 1sr3 n ASP 86 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1sr3 n ALA 87 N -3.00 2.87 -0.03 -1.67 0.00 -1.26 -4.81 120.51 112.60 1sr3 n ALA 87 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.79 1sr3 n ALA 87 Cb 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 19.45 18.72 1sr3 n ALA 87 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1sr3 n GLU 88 N 0.70 0.00 -1.49 0.00 0.28 -1.26 -5.12 120.64 113.75 1sr3 n GLU 88 Ca 0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.11 1sr3 n GLU 88 Cb 0.50 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.37 1sr3 n GLU 88 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1sr3 n GLY 89 N 3.04 3.76 3.11 -1.84 0.00 -1.25 -4.87 105.19 107.14 1sr3 n GLY 89 Ca 0.00 -1.48 -0.09 0.00 0.00 0.00 0.00 46.02 44.46 1sr3 n GLY 89 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sr3 s SER 90 N -0.64 0.27 0.02 1.61 1.04 -0.97 -2.33 113.70 112.71 1sr3 s SER 90 Ca 0.00 -0.69 0.01 0.00 0.48 0.00 0.00 55.95 55.75 1sr3 s SER 90 Cb 0.00 0.22 -0.02 0.00 0.10 0.00 0.00 66.02 66.33 1sr3 s SER 90 CO 0.00 -0.55 -0.05 0.68 0.98 0.00 0.00 173.24 174.30 1sr3 s VAL 91 N -3.10 0.30 0.44 5.02 -7.23 0.48 -4.92 120.40 111.39 1sr3 s VAL 91 Ca -0.01 -0.79 -0.14 0.00 -1.81 0.00 0.00 61.98 59.23 1sr3 s VAL 91 Cb 0.02 -0.37 -0.08 0.00 0.56 0.00 0.00 36.38 36.51 1sr3 s VAL 91 CO -0.07 -0.32 0.86 -1.81 -0.31 0.00 0.00 175.10 173.45 1sr3 s ASP 92 N -1.18 6.62 0.02 4.85 1.11 -1.03 -1.14 116.67 125.93 1sr3 s ASP 92 Ca -0.10 1.36 0.02 0.00 0.18 0.00 0.00 52.55 54.02 1sr3 s ASP 92 Cb -0.08 -2.42 -0.01 0.00 1.07 0.00 0.00 42.92 41.48 1sr3 s ASP 92 CO -0.00 -0.45 -0.07 0.68 1.18 0.00 0.00 175.17 176.51 1sr3 s VAL 93 N -2.41 0.51 -0.17 -1.27 -7.23 0.30 -1.53 120.40 108.60 1sr3 s VAL 93 Ca 0.55 -0.69 -0.02 0.00 -1.81 0.00 0.00 61.98 60.01 1sr3 s VAL 93 Cb -0.10 -0.51 -0.01 0.00 0.56 0.00 0.00 36.38 36.31 1sr3 s VAL 93 CO 0.28 -0.14 -0.09 -0.55 -0.31 0.00 0.00 175.10 174.30 1sr3 s SER 94 N -0.90 4.20 0.22 4.85 0.15 -0.39 -1.46 113.70 120.37 1sr3 s SER 94 Ca -0.04 -0.34 0.09 0.00 0.70 0.00 0.00 55.95 56.37 1sr3 s SER 94 Cb -0.06 -1.68 -0.05 0.00 -1.71 0.00 0.00 66.02 62.52 1sr3 s SER 94 CO 0.00 0.09 -0.17 -0.47 1.20 0.00 0.00 173.24 173.89 1sr3 s TYR 95 N 0.81 1.91 -0.30 3.44 5.04 0.32 0.03 117.35 128.60 1sr3 s TYR 95 Ca -0.03 -0.48 -0.02 0.00 -2.44 0.00 0.00 57.07 54.10 1sr3 s TYR 95 Cb -0.15 -0.88 0.12 0.00 0.35 0.00 0.00 41.96 41.40 1sr3 s TYR 95 CO 0.01 0.46 0.20 -2.00 -1.34 0.00 0.00 175.55 172.88 1sr3 s GLU 96 N -3.42 0.27 0.00 4.97 -6.30 -1.26 -0.70 118.70 112.27 1sr3 s GLU 96 Ca 0.23 -0.44 0.00 0.00 -2.50 0.00 0.00 54.97 52.26 1sr3 s GLU 96 Cb -0.03 -0.96 0.00 0.00 0.00 0.00 0.00 34.13 33.13 1sr3 s GLU 96 CO 0.09 -1.04 0.00 0.41 0.02 0.00 0.00 175.26 174.74 1sr3 n GLY 97 N 5.17 1.53 0.19 -1.50 0.00 0.44 -4.91 105.19 106.12 1sr3 n GLY 97 Ca -0.03 -1.04 0.14 0.00 0.00 0.00 0.00 46.02 45.09 1sr3 n GLY 97 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1sr3 h ILE 98 N 0.85 0.00 -1.40 -0.61 6.09 -1.98 -3.43 117.51 117.03 1sr3 h ILE 98 Ca 0.00 -0.56 0.00 0.00 -1.37 0.00 0.00 64.86 62.93 1sr3 h ILE 98 Cb 0.00 1.50 0.00 0.00 0.47 0.00 0.00 36.82 38.79 1sr3 h ILE 98 CO 0.00 0.00 -0.34 -0.11 -3.07 0.00 0.00 178.15 174.63 1sr3 n LEU 99 N -2.70 -2.36 -4.75 2.19 7.94 -1.26 -4.96 117.00 111.11 1sr3 n LEU 99 Ca 0.03 1.14 -0.35 0.00 -1.11 0.00 0.00 56.01 55.72 1sr3 n LEU 99 Cb 0.37 -0.47 0.05 0.00 0.53 0.00 0.00 43.42 43.91 1sr3 n LEU 99 CO 0.28 -0.00 0.83 -2.16 -1.11 0.00 0.00 177.39 175.22 1sr3 s PRO 100 N -4.40 2.74 0.53 1.96 0.05 -1.26 -4.89 135.00 129.73 1sr3 s PRO 100 Ca 0.00 1.78 0.19 0.00 0.05 0.00 0.00 61.00 63.02 1sr3 s PRO 100 Cb 0.00 -1.90 1.37 0.00 0.05 0.00 0.00 34.50 34.02 1sr3 s PRO 100 CO 0.00 -1.38 2.17 -0.44 0.05 0.00 0.00 177.00 177.40 1sr3 h ASP 101 N 0.51 0.00 -0.86 6.66 3.32 -1.99 -1.03 116.42 123.03 1sr3 h ASP 101 Ca -0.49 0.00 0.02 0.00 0.02 0.00 0.00 57.03 56.58 1sr3 h ASP 101 Cb 1.29 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.80 1sr3 h ASP 101 CO 0.54 0.00 0.57 -0.07 -1.72 0.00 0.00 179.24 178.56 1sr3 h LEU 102 N 0.00 0.96 -9.71 1.55 -0.00 -1.92 -3.44 115.31 102.75 1sr3 h LEU 102 Ca -0.00 -0.02 -0.52 0.00 -0.00 0.00 0.00 57.88 57.34 1sr3 h LEU 102 Cb 0.01 -0.23 0.05 0.00 -0.00 0.00 0.00 40.66 40.48 1sr3 h LEU 102 CO 0.00 0.68 0.72 0.12 -0.00 0.00 0.00 178.44 179.96 1sr3 s PHE 103 N -5.94 3.12 0.19 1.13 2.19 -0.39 -4.96 117.98 113.33 1sr3 s PHE 103 Ca -0.12 1.09 -0.01 0.00 0.33 0.00 0.00 56.93 58.22 1sr3 s PHE 103 Cb 0.18 -3.73 -0.04 0.00 -1.31 0.00 0.00 43.02 38.12 1sr3 s PHE 103 CO 0.80 -2.37 0.13 1.03 1.83 0.00 0.00 175.22 176.63 1sr3 s ARG 104 N -0.21 1.17 -1.09 10.12 0.52 -1.26 -4.93 118.95 123.27 1sr3 s ARG 104 Ca 0.59 -1.60 -0.16 0.00 -0.52 0.00 0.00 55.73 54.04 1sr3 s ARG 104 Cb -0.40 0.27 0.15 0.00 0.52 0.00 0.00 34.95 35.50 1sr3 s ARG 104 CO 0.41 -0.38 1.30 -1.21 0.02 0.00 0.00 175.30 175.44 1sr3 s GLU 105 N -4.14 3.88 0.00 3.54 2.02 -1.26 -3.39 118.70 119.34 1sr3 s GLU 105 Ca 0.37 -2.23 0.00 0.00 0.02 0.00 0.00 54.97 53.13 1sr3 s GLU 105 Cb 0.07 -5.00 0.00 0.00 0.10 0.00 0.00 34.13 29.30 1sr3 s GLU 105 CO 0.11 -1.77 0.00 0.41 0.02 0.00 0.00 175.26 174.03 1sr3 n GLY 106 N 4.70 0.03 3.90 -1.39 0.00 -0.76 -4.40 105.19 107.26 1sr3 n GLY 106 Ca 0.31 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.12 1sr3 n GLY 106 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1sr3 s GLN 107 N 0.00 2.51 -0.45 1.61 -2.07 -1.22 -4.75 119.66 115.29 1sr3 s GLN 107 Ca 0.00 -1.58 -0.27 0.00 -1.82 0.00 0.00 55.36 51.69 1sr3 s GLN 107 Cb 0.00 -2.39 0.03 0.00 -1.09 0.00 0.00 33.01 29.56 1sr3 s GLN 107 CO 0.00 -0.29 0.98 0.20 -1.32 0.00 0.00 175.29 174.86 1sr3 s GLY 108 N -4.20 1.45 0.44 2.60 0.00 -1.26 -1.29 107.32 105.06 1sr3 s GLY 108 Ca 0.48 -0.63 0.07 0.00 0.00 0.00 0.00 44.72 44.63 1sr3 s GLY 108 CO 0.28 2.14 0.22 -1.34 0.00 0.00 0.00 173.10 174.40 1sr3 s VAL 109 N 3.89 2.19 0.32 1.40 -7.23 -0.30 -4.36 120.40 116.31 1sr3 s VAL 109 Ca 0.40 -1.65 0.09 0.00 -1.81 0.00 0.00 61.98 59.01 1sr3 s VAL 109 Cb -0.10 -2.83 -0.05 0.00 0.56 0.00 0.00 36.38 33.97 1sr3 s VAL 109 CO 0.26 0.00 0.07 0.68 -0.31 0.00 0.00 175.10 175.80 1sr3 s VAL 110 N -2.63 3.05 0.23 1.32 -7.23 0.19 -1.64 120.40 113.69 1sr3 s VAL 110 Ca 0.39 -1.82 0.09 0.00 -1.81 0.00 0.00 61.98 58.83 1sr3 s VAL 110 Cb 0.02 -2.90 -0.04 0.00 0.56 0.00 0.00 36.38 34.02 1sr3 s VAL 110 CO 0.22 -0.24 -0.05 -0.69 -0.31 0.00 0.00 175.10 174.02 1sr3 s VAL 111 N -2.42 3.29 0.01 1.32 1.01 0.91 -0.46 120.40 124.06 1sr3 s VAL 111 Ca 0.35 -1.83 -0.03 0.00 0.00 0.00 0.00 61.98 60.48 1sr3 s VAL 111 Cb -0.03 -2.70 -0.01 0.00 0.00 0.00 0.00 36.38 33.64 1sr3 s VAL 111 CO 0.21 -0.26 0.04 -1.58 0.00 0.00 0.00 175.10 173.51 1sr3 s GLN 112 N -3.30 0.35 0.00 2.72 0.74 -1.26 -0.88 119.66 118.03 1sr3 s GLN 112 Ca 0.29 -0.46 0.00 0.00 0.05 0.00 0.00 55.36 55.24 1sr3 s GLN 112 Cb -0.07 0.13 0.00 0.00 1.10 0.00 0.00 33.01 34.17 1sr3 s GLN 112 CO 0.18 -0.07 0.00 0.41 -0.55 0.00 0.00 175.29 175.26 1sr3 n GLY 113 N 1.71 -0.08 3.17 2.59 0.00 -0.11 0.67 105.19 113.14 1sr3 n GLY 113 Ca -0.22 -0.11 -0.11 0.00 0.00 0.00 0.00 46.02 45.58 1sr3 n GLY 113 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1sr3 s GLU 114 N 0.00 0.83 0.09 1.61 2.12 0.22 -1.09 118.70 122.47 1sr3 s GLU 114 Ca 0.00 -1.32 -0.16 0.00 0.36 0.00 0.00 54.97 53.85 1sr3 s GLU 114 Cb 0.00 -0.21 -0.07 0.00 0.26 0.00 0.00 34.13 34.11 1sr3 s GLU 114 CO 0.00 -0.01 0.53 -1.17 -0.54 0.00 0.00 175.26 174.06 1sr3 s LEU 115 N -2.99 4.44 -0.06 2.70 0.20 -0.86 -0.14 118.68 121.97 1sr3 s LEU 115 Ca 0.11 1.12 -0.06 0.00 0.69 0.00 0.00 54.13 56.00 1sr3 s LEU 115 Cb 0.05 -2.98 -0.02 0.00 -0.43 0.00 0.00 46.19 42.81 1sr3 s LEU 115 CO -0.05 0.22 -0.11 1.21 -0.29 0.00 0.00 176.35 177.33 1sr3 n GLU 116 N 1.37 0.17 0.01 1.98 0.00 0.04 -4.65 120.64 119.56 1sr3 n GLU 116 Ca -0.09 0.12 0.00 0.00 0.00 0.00 0.00 57.16 57.19 1sr3 n GLU 116 Cb 0.51 -0.86 0.00 0.00 0.00 0.00 0.00 31.44 31.09 1sr3 n GLU 116 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1sr3 n LYS 117 N -3.14 0.00 0.00 5.31 4.76 -1.26 -4.94 118.16 118.89 1sr3 n LYS 117 Ca -0.04 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.40 1sr3 n LYS 117 Cb 0.16 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.35 1sr3 n LYS 117 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1sr3 n GLY 118 N -0.90 -0.03 1.94 0.72 0.00 -1.26 -4.92 105.19 100.74 1sr3 n GLY 118 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 1sr3 n GLY 118 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sr3 n ASN 119 N -1.55 1.06 -4.32 1.61 5.03 -1.26 -4.96 115.26 110.88 1sr3 n ASN 119 Ca 0.00 -2.01 -0.33 0.00 0.87 0.00 0.00 54.58 53.11 1sr3 n ASN 119 Cb 0.00 -0.32 -0.15 0.00 -1.02 0.00 0.00 39.78 38.29 1sr3 n ASN 119 CO 0.00 0.00 0.00 -2.28 -1.83 0.00 0.00 177.26 173.15 1sr3 s HIS 120 N -1.25 2.75 -0.16 3.10 2.46 -1.26 -2.47 115.29 118.46 1sr3 s HIS 120 Ca 0.30 -0.78 -0.07 0.00 0.47 0.00 0.00 55.06 54.98 1sr3 s HIS 120 Cb 0.35 -1.81 -0.04 0.00 -0.13 0.00 0.00 32.58 30.95 1sr3 s HIS 120 CO -0.12 -0.29 0.08 0.42 -2.47 0.00 0.00 174.74 172.36 1sr3 s ILE 121 N 0.39 4.99 -0.52 0.89 -1.09 -0.58 -0.78 121.20 124.50 1sr3 s ILE 121 Ca -0.12 0.03 -0.29 0.00 -2.23 0.00 0.00 60.65 58.04 1sr3 s ILE 121 Cb -0.16 -3.22 0.03 0.00 -1.58 0.00 0.00 42.46 37.52 1sr3 s ILE 121 CO 0.06 0.51 1.21 -0.76 -1.23 0.00 0.00 174.94 174.74 1sr3 s LEU 122 N -0.12 3.53 0.36 2.97 2.01 0.80 -1.26 118.68 126.97 1sr3 s LEU 122 Ca 0.08 0.34 -0.27 0.00 0.01 0.00 0.00 54.13 54.29 1sr3 s LEU 122 Cb -0.12 -3.35 -0.09 0.00 0.01 0.00 0.00 46.19 42.64 1sr3 s LEU 122 CO 0.01 -1.41 1.22 0.00 1.01 0.00 0.00 176.35 177.18 1sr3 s ALA 123 N 4.90 3.31 -0.05 4.21 0.00 0.10 -0.61 121.76 133.63 1sr3 s ALA 123 Ca 0.48 1.08 0.06 0.00 0.00 0.00 0.00 51.96 53.58 1sr3 s ALA 123 Cb -0.08 -3.42 -0.09 0.00 0.00 0.00 0.00 23.12 19.53 1sr3 s ALA 123 CO 0.29 -0.55 0.06 0.36 0.00 0.00 0.00 175.76 175.91 1sr3 n LYS 124 N 0.48 2.25 0.00 0.00 -0.00 0.21 -4.49 118.16 116.62 1sr3 n LYS 124 Ca 0.02 -0.02 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1sr3 n LYS 124 Cb 0.44 -1.17 0.00 0.00 -0.00 0.00 0.00 35.03 34.31 1sr3 n LYS 124 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1sr3 n GLU 125 N -2.12 1.04 -2.81 -1.58 0.28 -1.25 -4.95 120.64 109.25 1sr3 n GLU 125 Ca -0.08 0.00 -0.03 0.00 -0.16 0.00 0.00 57.16 56.89 1sr3 n GLU 125 Cb 0.58 -0.09 -0.03 0.00 1.43 0.00 0.00 31.44 33.34 1sr3 n GLU 125 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 1sr3 n VAL 126 N 0.00 -7.90 -4.14 3.84 0.31 -1.26 -4.81 118.33 104.37 1sr3 n VAL 126 Ca 0.00 1.60 -0.35 0.00 -0.01 0.00 0.00 64.34 65.58 1sr3 n VAL 126 Cb 0.00 -4.87 -0.13 0.00 -0.91 0.00 0.00 33.84 27.93 1sr3 n VAL 126 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1sr3 s LEU 127 N -0.45 3.17 -0.99 7.52 2.01 0.40 -4.62 118.68 125.71 1sr3 s LEU 127 Ca -0.16 -0.22 -0.01 0.00 0.01 0.00 0.00 54.13 53.74 1sr3 s LEU 127 Cb 0.01 -1.79 0.32 0.00 0.01 0.00 0.00 46.19 44.74 1sr3 s LEU 127 CO 0.46 0.07 1.89 0.00 1.01 0.00 0.00 176.35 179.78 1sr3 n ALA 128 N 4.18 6.20 -2.08 4.21 0.00 -1.26 0.56 120.51 132.32 1sr3 n ALA 128 Ca -0.17 -4.48 -0.11 0.00 0.00 0.00 0.00 53.44 48.68 1sr3 n ALA 128 Cb 0.52 -2.16 -0.02 0.00 0.00 0.00 0.00 19.45 17.79 1sr3 n ALA 128 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1sr3 n LYS 129 N -0.13 -1.97 -1.32 0.00 4.76 -1.26 -4.83 118.16 113.41 1sr3 n LYS 129 Ca 0.49 0.56 -0.36 0.00 -2.87 0.00 0.00 58.31 56.12 1sr3 n LYS 129 Cb 0.25 -5.01 -0.04 0.00 -1.84 0.00 0.00 35.03 28.39 1sr3 n LYS 129 CO 0.00 0.00 0.00 -2.39 -1.37 0.00 0.00 177.40 173.64 1sr3 n HIS 130 N -2.76 2.19 -1.04 2.13 1.44 -1.26 -4.71 115.22 111.22 1sr3 n HIS 130 Ca -0.12 -2.92 -0.01 0.00 -2.01 0.00 0.00 57.72 52.65 1sr3 n HIS 130 Cb 0.52 -2.37 -0.01 0.00 0.12 0.00 0.00 29.99 28.25 1sr3 n HIS 130 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 1sr3 n ASP 131 N 3.35 -5.96 -4.83 4.39 2.03 -1.26 -4.95 116.55 109.32 1sr3 n ASP 131 Ca 0.74 0.04 -0.30 0.00 0.52 0.00 0.00 54.79 55.79 1sr3 n ASP 131 Cb 0.30 -3.59 0.06 0.00 -0.72 0.00 0.00 41.12 37.17 1sr3 n ASP 131 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 1sr3 s GLU 132 N -2.12 2.68 0.00 -0.67 4.04 -1.26 -4.95 118.70 116.43 1sr3 s GLU 132 Ca 0.00 0.75 0.00 0.00 0.04 0.00 0.00 54.97 55.76 1sr3 s GLU 132 Cb 0.00 -1.98 0.00 0.00 0.02 0.00 0.00 34.13 32.17 1sr3 s GLU 132 CO 0.00 -1.23 0.00 -1.71 -1.84 0.00 0.00 175.26 170.48 1sr3 n ASN 133 N -3.19 0.00 -4.08 0.83 5.15 -1.26 -5.04 115.26 107.68 1sr3 n ASN 133 Ca 0.07 0.00 -0.10 0.00 -0.60 0.00 0.00 54.58 53.95 1sr3 n ASN 133 Cb 0.55 0.00 -0.08 0.00 -0.53 0.00 0.00 39.78 39.72 1sr3 n ASN 133 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1sr3 s TYR 134 N 0.00 0.70 -0.04 1.20 5.04 -1.26 -4.88 117.35 118.11 1sr3 s TYR 134 Ca 0.00 -1.02 0.01 0.00 -2.44 0.00 0.00 57.07 53.62 1sr3 s TYR 134 Cb 0.00 -0.20 0.02 0.00 0.35 0.00 0.00 41.96 42.14 1sr3 s TYR 134 CO 0.00 -0.76 -0.03 0.99 -1.34 0.00 0.00 175.55 174.41 1sr3 s THR 135 N -4.06 0.43 1.22 4.34 2.01 -1.26 -5.16 115.64 113.17 1sr3 s THR 135 Ca 0.27 -0.06 -0.17 0.00 0.31 0.00 0.00 61.69 62.04 1sr3 s THR 135 Cb 0.04 -0.48 0.30 0.00 0.01 0.00 0.00 72.50 72.37 1sr3 s THR 135 CO 0.07 0.20 1.03 -2.16 -0.69 0.00 0.00 174.62 173.07 1sr3 s PRO 136 N 0.93 -1.39 0.07 4.92 0.04 -1.26 -4.99 135.00 133.33 1sr3 s PRO 136 Ca -0.11 0.36 0.03 0.00 0.04 0.00 0.00 61.00 61.32 1sr3 s PRO 136 Cb -0.14 -1.54 -0.24 0.00 0.04 0.00 0.00 34.50 32.62 1sr3 s PRO 136 CO -0.00 -3.91 1.11 -1.00 0.04 0.00 0.00 177.00 173.24 1sr3 h PRO 137 N -2.74 0.11 -3.95 0.56 0.13 -2.02 -3.38 132.00 120.71 1sr3 h PRO 137 Ca -0.52 -0.19 -0.61 0.00 -0.87 0.00 0.00 66.00 63.81 1sr3 h PRO 137 Cb 1.33 0.07 0.02 0.00 0.13 0.00 0.00 31.00 32.55 1sr3 h PRO 137 CO 0.42 1.03 2.77 -1.91 -0.23 0.00 0.00 178.00 180.08 1sr3 n GLU 138 N -3.39 2.24 0.01 0.86 2.13 -1.26 -2.12 120.64 119.12 1sr3 n GLU 138 Ca -0.07 -2.00 0.00 0.00 0.66 0.00 0.00 57.16 55.75 1sr3 n GLU 138 Cb 0.99 -2.90 0.00 0.00 0.27 0.00 0.00 31.44 29.80 1sr3 n GLU 138 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 1sr3 n VAL 139 N 5.09 0.00 -0.26 6.31 3.14 -1.26 -4.93 118.33 126.41 1sr3 n VAL 139 Ca 0.53 0.00 -0.03 0.00 -2.96 0.00 0.00 64.34 61.88 1sr3 n VAL 139 Cb 0.32 0.00 0.09 0.00 -1.06 0.00 0.00 33.84 33.19 1sr3 n VAL 139 CO 0.00 0.00 0.00 -0.08 -6.46 0.00 0.00 176.83 170.29 1sr3 h GLU 140 N 0.00 0.88 -0.01 1.45 4.81 -1.60 -2.74 114.58 117.36 1sr3 h GLU 140 Ca 0.00 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1sr3 h GLU 140 Cb 0.00 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.18 1sr3 h GLU 140 CO 0.00 0.58 -0.03 1.17 -0.73 0.00 0.00 179.01 180.00 1sr3 n LYS 141 N -4.64 0.43 -0.06 1.92 0.00 -1.25 -4.70 118.16 109.86 1sr3 n LYS 141 Ca 0.08 -0.78 -0.06 0.00 0.00 0.00 0.00 58.31 57.56 1sr3 n LYS 141 Cb 0.09 -1.08 -0.04 0.00 0.00 0.00 0.00 35.03 34.00 1sr3 n LYS 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1sr3 h ALA 142 N 1.18 0.01 0.00 3.14 0.00 -1.73 -3.52 119.26 118.34 1sr3 h ALA 142 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1sr3 h ALA 142 Cb 0.25 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1sr3 h ALA 142 CO 0.00 0.08 0.00 -1.33 0.00 0.00 0.00 179.25 178.00