#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rz3 h LEU 3 N 0.00 0.19 -0.66 4.31 5.85 -2.05 -2.05 115.31 120.90 1rz3 h LEU 3 Ca 0.00 -0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.60 1rz3 h LEU 3 Cb 0.00 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 1rz3 h LEU 3 CO 0.00 0.53 0.21 -0.09 -0.34 0.00 0.00 178.44 178.75 1rz3 h ARG 4 N 0.17 1.02 -0.22 1.25 2.43 -2.05 -0.97 114.38 116.02 1rz3 h ARG 4 Ca 0.02 -0.22 -0.12 0.00 -0.81 0.00 0.00 59.98 58.86 1rz3 h ARG 4 Cb 0.69 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 1rz3 h ARG 4 CO 0.05 0.89 -0.36 -0.44 -1.51 0.00 0.00 179.97 178.60 1rz3 h ASP 5 N 0.96 0.49 -0.34 -3.80 5.19 -1.88 -1.45 116.42 115.59 1rz3 h ASP 5 Ca 0.21 -0.20 -0.16 0.00 -0.62 0.00 0.00 57.03 56.27 1rz3 h ASP 5 Cb 0.28 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 39.65 1rz3 h ASP 5 CO -0.01 0.81 -0.40 0.03 -3.12 0.00 0.00 179.24 176.55 1rz3 h ARG 6 N 0.40 0.90 -0.46 3.56 3.08 -1.03 -0.70 114.38 120.12 1rz3 h ARG 6 Ca 0.04 -0.48 -0.12 0.00 0.07 0.00 0.00 59.98 59.50 1rz3 h ARG 6 Cb 0.81 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.87 1rz3 h ARG 6 CO 0.07 1.13 -0.18 0.82 -1.07 0.00 0.00 179.97 180.74 1rz3 h ILE 7 N 0.73 1.27 -0.44 2.04 2.04 -1.04 -0.91 117.51 121.20 1rz3 h ILE 7 Ca 0.06 -1.31 -0.10 0.00 1.00 0.00 0.00 64.86 64.51 1rz3 h ILE 7 Cb 0.99 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 38.15 1rz3 h ILE 7 CO 0.10 0.45 -0.13 0.44 0.00 0.00 0.00 178.15 179.01 1rz3 h ASP 8 N 0.79 0.80 -0.50 1.72 3.32 -1.13 -1.00 116.42 120.42 1rz3 h ASP 8 Ca 0.11 -0.25 -0.09 0.00 0.02 0.00 0.00 57.03 56.82 1rz3 h ASP 8 Cb 0.72 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 1rz3 h ASP 8 CO 0.06 0.94 -0.02 0.15 -1.72 0.00 0.00 179.24 178.65 1rz3 h PHE 9 N 0.72 1.02 -0.65 4.55 3.57 -0.80 -0.99 116.94 124.35 1rz3 h PHE 9 Ca 0.12 -0.17 -0.08 0.00 3.53 0.00 0.00 57.97 61.37 1rz3 h PHE 9 Cb 0.62 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 39.07 1rz3 h PHE 9 CO 0.03 0.93 0.11 1.25 -2.23 0.00 0.00 178.31 178.40 1rz3 h LEU 10 N 0.87 1.04 -0.43 0.59 5.85 -0.81 -0.25 115.31 122.15 1rz3 h LEU 10 Ca 0.16 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 1rz3 h LEU 10 Cb 0.54 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 1rz3 h LEU 10 CO 0.03 1.03 0.25 0.00 -0.34 0.00 0.00 178.44 179.40 1rz3 h LYS 12 N 0.57 0.78 -0.59 0.00 3.64 -0.84 0.15 116.57 120.28 1rz3 h LYS 12 Ca 0.15 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.51 1rz3 h LYS 12 Cb 0.04 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 31.64 1rz3 h LYS 12 CO -0.03 0.52 0.36 1.15 -2.27 0.00 0.00 179.45 179.18 1rz3 h THR 13 N 0.80 1.08 -0.56 1.00 2.02 -0.59 -2.40 112.91 114.25 1rz3 h THR 13 Ca 0.22 -0.25 -0.09 0.00 0.77 0.00 0.00 66.41 67.06 1rz3 h THR 13 Cb -0.09 0.29 -0.02 0.00 -1.74 0.00 0.00 68.15 66.59 1rz3 h THR 13 CO -0.05 0.13 0.01 0.40 0.37 0.00 0.00 175.52 176.39 1rz3 h ILE 14 N 0.72 1.26 0.00 3.11 2.04 -0.42 -2.46 117.51 121.76 1rz3 h ILE 14 Ca 0.23 -1.09 0.00 0.00 1.00 0.00 0.00 64.86 65.01 1rz3 h ILE 14 Cb 0.01 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 1rz3 h ILE 14 CO -0.09 0.39 0.00 0.18 0.00 0.00 0.00 178.15 178.63 1rz3 n LEU 15 N -4.19 0.07 0.00 1.44 4.77 -0.01 -2.37 117.00 116.71 1rz3 n LEU 15 Ca 0.03 0.52 0.11 0.00 -0.03 0.00 0.00 56.01 56.64 1rz3 n LEU 15 Cb 0.32 -0.51 0.06 0.00 -2.33 0.00 0.00 43.42 40.97 1rz3 n LEU 15 CO 0.43 -0.27 0.19 0.00 -1.33 0.00 0.00 177.39 176.41 1rz3 n ALA 16 N -1.53 4.14 -1.99 -1.18 0.00 -0.93 -4.95 120.51 114.08 1rz3 n ALA 16 Ca 0.04 -0.47 -0.41 0.00 0.00 0.00 0.00 53.44 52.59 1rz3 n ALA 16 Cb 0.19 -0.94 -0.03 0.00 0.00 0.00 0.00 19.45 18.67 1rz3 n ALA 16 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1rz3 s ILE 17 N -3.01 3.19 0.11 0.00 1.01 -1.00 -4.96 121.20 116.54 1rz3 s ILE 17 Ca 0.09 0.99 -0.31 0.00 0.00 0.00 0.00 60.65 61.43 1rz3 s ILE 17 Cb 0.17 -3.64 -0.09 0.00 0.01 0.00 0.00 42.46 38.92 1rz3 s ILE 17 CO 0.79 0.16 1.53 -0.75 0.00 0.00 0.00 174.94 176.67 1rz3 s LYS 18 N -0.25 4.24 0.08 2.79 2.47 -1.26 -5.00 119.74 122.81 1rz3 s LYS 18 Ca 0.56 2.24 0.06 0.00 -1.56 0.00 0.00 55.97 57.27 1rz3 s LYS 18 Cb -0.37 -3.36 -0.04 0.00 -1.46 0.00 0.00 37.83 32.61 1rz3 s LYS 18 CO 0.39 -0.60 -0.09 0.99 0.16 0.00 0.00 175.35 176.20 1rz3 s THR 19 N 1.72 3.47 -0.42 3.43 2.01 -1.26 -5.06 115.64 119.52 1rz3 s THR 19 Ca 0.69 -1.13 0.04 0.00 0.31 0.00 0.00 61.69 61.61 1rz3 s THR 19 Cb -0.40 -2.59 0.17 0.00 0.01 0.00 0.00 72.50 69.69 1rz3 s THR 19 CO 0.31 0.18 0.41 0.00 -0.69 0.00 0.00 174.62 174.83 1rz3 s ALA 20 N -1.16 0.52 0.00 7.40 0.00 -1.26 -5.08 121.76 122.18 1rz3 s ALA 20 Ca 0.21 -1.89 0.00 0.00 0.00 0.00 0.00 51.96 50.28 1rz3 s ALA 20 Cb -0.11 -1.85 0.00 0.00 0.00 0.00 0.00 23.12 21.16 1rz3 s ALA 20 CO 0.12 -2.05 0.00 0.41 0.00 0.00 0.00 175.76 174.25 1rz3 n GLY 21 N 3.07 -0.19 3.77 0.00 0.00 -1.26 -4.89 105.19 105.68 1rz3 n GLY 21 Ca 0.25 -1.54 -0.40 0.00 0.00 0.00 0.00 46.02 44.32 1rz3 n GLY 21 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rz3 s ARG 22 N 0.00 4.40 -0.25 1.61 0.52 -1.26 -5.00 118.95 118.96 1rz3 s ARG 22 Ca 0.00 2.09 -0.09 0.00 -0.52 0.00 0.00 55.73 57.21 1rz3 s ARG 22 Cb 0.00 -3.07 -0.04 0.00 0.52 0.00 0.00 34.95 32.36 1rz3 s ARG 22 CO 0.00 -0.10 0.13 -1.17 0.02 0.00 0.00 175.30 174.18 1rz3 s LEU 23 N -1.77 3.81 -0.32 2.53 2.96 -0.59 -4.97 118.68 120.33 1rz3 s LEU 23 Ca 0.48 -0.05 -0.13 0.00 -0.22 0.00 0.00 54.13 54.21 1rz3 s LEU 23 Cb -0.37 -2.03 -0.03 0.00 0.50 0.00 0.00 46.19 44.26 1rz3 s LEU 23 CO 0.49 -0.01 0.27 -0.69 -1.32 0.00 0.00 176.35 175.10 1rz3 s VAL 24 N 1.47 5.25 0.05 1.68 1.01 -1.26 -0.64 120.40 127.97 1rz3 s VAL 24 Ca 0.06 0.04 0.04 0.00 0.00 0.00 0.00 61.98 62.12 1rz3 s VAL 24 Cb -0.15 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 1rz3 s VAL 24 CO 0.06 0.06 -0.01 -0.76 0.00 0.00 0.00 175.10 174.45 1rz3 s LEU 25 N 1.84 3.44 -0.01 3.92 1.43 0.59 -0.36 118.68 129.53 1rz3 s LEU 25 Ca 0.09 -0.12 0.04 0.00 -1.03 0.00 0.00 54.13 53.11 1rz3 s LEU 25 Cb -0.17 -2.09 -0.01 0.00 0.03 0.00 0.00 46.19 43.95 1rz3 s LEU 25 CO 0.11 0.22 -0.13 -0.83 0.23 0.00 0.00 176.35 175.95 1rz3 s GLY 26 N -1.96 0.67 -0.36 -3.19 0.00 0.55 -1.20 107.32 101.83 1rz3 s GLY 26 Ca 0.23 -0.57 0.02 0.00 0.00 0.00 0.00 44.72 44.40 1rz3 s GLY 26 CO 0.14 -0.43 0.10 -0.42 0.00 0.00 0.00 173.10 172.49 1rz3 s ILE 27 N -0.24 2.58 -0.10 0.90 1.01 0.72 -0.57 121.20 125.50 1rz3 s ILE 27 Ca 0.04 -2.27 -0.10 0.00 0.00 0.00 0.00 60.65 58.32 1rz3 s ILE 27 Cb -0.06 -2.86 -0.05 0.00 0.01 0.00 0.00 42.46 39.51 1rz3 s ILE 27 CO -0.00 -0.63 0.23 -0.62 0.00 0.00 0.00 174.94 173.92 1rz3 s ASP 28 N 1.17 6.49 -0.25 3.58 2.15 0.21 -2.00 116.67 128.02 1rz3 s ASP 28 Ca 0.10 0.59 -0.35 0.00 0.43 0.00 0.00 52.55 53.32 1rz3 s ASP 28 Cb -0.20 -2.13 0.16 0.00 -0.30 0.00 0.00 42.92 40.45 1rz3 s ASP 28 CO -0.07 0.34 1.31 -0.83 -0.17 0.00 0.00 175.17 175.75 1rz3 s GLY 29 N -0.79 -0.17 0.97 2.66 0.00 -1.18 0.22 107.32 109.03 1rz3 s GLY 29 Ca 0.17 2.02 -0.13 0.00 0.00 0.00 0.00 44.72 46.77 1rz3 s GLY 29 CO 0.06 0.72 1.13 1.08 0.00 0.00 0.00 173.10 176.09 1rz3 s LEU 30 N -1.83 1.80 0.27 0.66 1.43 -1.26 -3.89 118.68 115.86 1rz3 s LEU 30 Ca 0.10 0.93 -0.30 0.00 -1.03 0.00 0.00 54.13 53.83 1rz3 s LEU 30 Cb -0.01 -3.14 -0.13 0.00 0.03 0.00 0.00 46.19 42.94 1rz3 s LEU 30 CO -0.04 -2.88 1.42 -0.24 0.23 0.00 0.00 176.35 174.85 1rz3 n SER 31 N -3.97 2.99 -3.62 2.29 2.88 -1.26 -2.60 113.62 110.32 1rz3 n SER 31 Ca 0.07 1.16 -0.24 0.00 -1.33 0.00 0.00 58.87 58.53 1rz3 n SER 31 Cb 0.59 -1.47 0.07 0.00 -0.75 0.00 0.00 64.21 62.65 1rz3 n SER 31 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1rz3 n ARG 32 N 1.77 -7.51 0.00 -1.46 1.74 -1.26 -4.89 116.66 105.05 1rz3 n ARG 32 Ca 0.10 0.80 0.10 0.00 -0.77 0.00 0.00 57.85 58.08 1rz3 n ARG 32 Cb 0.33 -5.83 0.02 0.00 -1.02 0.00 0.00 32.46 25.97 1rz3 n ARG 32 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1rz3 n SER 33 N -3.01 2.13 0.00 0.55 3.41 -1.07 -4.95 113.62 110.67 1rz3 n SER 33 Ca -0.02 -1.56 0.00 0.00 -0.26 0.00 0.00 58.87 57.02 1rz3 n SER 33 Cb 0.57 0.35 0.00 0.00 -0.26 0.00 0.00 64.21 64.87 1rz3 n SER 33 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rz3 n GLY 34 N 1.30 0.79 0.20 5.00 0.00 -1.26 -4.94 105.19 106.27 1rz3 n GLY 34 Ca 0.09 -0.06 -0.02 0.00 0.00 0.00 0.00 46.02 46.03 1rz3 n GLY 34 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rz3 h LYS 35 N 2.38 0.25 -0.61 1.61 1.57 -1.92 0.53 116.57 120.37 1rz3 h LYS 35 Ca 0.00 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1rz3 h LYS 35 Cb 0.00 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.22 1rz3 h LYS 35 CO 0.00 0.17 0.36 1.15 -0.57 0.00 0.00 179.45 180.56 1rz3 h THR 36 N 0.26 1.18 -0.35 -0.16 2.02 -1.95 0.14 112.91 114.05 1rz3 h THR 36 Ca 0.25 -0.42 -0.07 0.00 0.77 0.00 0.00 66.41 66.94 1rz3 h THR 36 Cb 0.32 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 1rz3 h THR 36 CO -0.31 0.19 -0.05 0.74 0.37 0.00 0.00 175.52 176.47 1rz3 h THR 37 N 0.83 1.27 -0.39 3.16 2.02 -1.85 -2.08 112.91 115.87 1rz3 h THR 37 Ca 0.22 -1.08 -0.00 0.00 0.77 0.00 0.00 66.41 66.32 1rz3 h THR 37 Cb -0.01 1.27 -0.02 0.00 -1.74 0.00 0.00 68.15 67.65 1rz3 h THR 37 CO -0.04 0.35 0.23 0.25 0.37 0.00 0.00 175.52 176.68 1rz3 h LEU 38 N 0.44 0.47 -0.17 2.58 5.85 -0.59 -1.49 115.31 122.40 1rz3 h LEU 38 Ca 0.09 -0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.78 1rz3 h LEU 38 Cb 0.53 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 1rz3 h LEU 38 CO 0.03 0.40 -0.04 0.00 -0.34 0.00 0.00 178.44 178.49 1rz3 h ALA 39 N 1.09 0.11 -0.44 1.25 0.00 -0.63 0.94 119.26 121.60 1rz3 h ALA 39 Ca 0.14 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1rz3 h ALA 39 Cb 0.02 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1rz3 h ALA 39 CO -0.02 -0.48 0.19 -0.91 0.00 0.00 0.00 179.25 178.02 1rz3 h ASN 40 N 0.00 0.59 -0.56 0.00 2.35 -1.19 -0.42 115.58 116.36 1rz3 h ASN 40 Ca 0.08 -0.15 -0.11 0.00 -0.55 0.00 0.00 56.30 55.57 1rz3 h ASN 40 Cb 0.12 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 1rz3 h ASN 40 CO -0.17 0.58 -0.08 1.56 -1.65 0.00 0.00 177.43 177.67 1rz3 h GLN 41 N 0.56 1.05 -0.23 0.81 4.20 -1.09 -1.80 115.11 118.60 1rz3 h GLN 41 Ca 0.15 -0.38 -0.02 0.00 0.06 0.00 0.00 58.65 58.46 1rz3 h GLN 41 Cb 0.17 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 1rz3 h GLN 41 CO -0.01 1.07 0.05 1.25 -0.67 0.00 0.00 178.83 180.52 1rz3 h LEU 42 N 0.94 0.36 -1.15 1.46 5.85 -0.65 -1.56 115.31 120.56 1rz3 h LEU 42 Ca 0.15 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 1rz3 h LEU 42 Cb 0.65 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 1rz3 h LEU 42 CO 0.04 0.50 0.39 0.77 -0.34 0.00 0.00 178.44 179.81 1rz3 h SER 43 N 0.20 0.87 -0.11 1.25 4.64 -1.01 -0.90 113.55 118.49 1rz3 h SER 43 Ca 0.07 -0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1rz3 h SER 43 Cb 0.29 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1rz3 h SER 43 CO 0.00 0.70 0.05 -0.61 -0.87 0.00 0.00 176.83 176.10 1rz3 h GLN 44 N 0.99 0.16 -0.97 4.77 5.75 -1.09 -1.43 115.11 123.28 1rz3 h GLN 44 Ca 0.25 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.73 1rz3 h GLN 44 Cb 0.02 -0.03 -0.05 0.00 1.07 0.00 0.00 27.48 28.50 1rz3 h GLN 44 CO -0.04 0.24 0.61 1.15 -2.65 0.00 0.00 178.83 178.13 1rz3 h THR 45 N 0.04 1.26 -0.59 2.39 2.02 -0.87 -2.48 112.91 114.68 1rz3 h THR 45 Ca 0.04 -0.53 -0.04 0.00 0.77 0.00 0.00 66.41 66.64 1rz3 h THR 45 Cb 0.13 -0.14 -0.03 0.00 -1.74 0.00 0.00 68.15 66.38 1rz3 h THR 45 CO -0.00 0.26 0.20 -0.07 0.37 0.00 0.00 175.52 176.28 1rz3 h LEU 46 N 1.33 0.85 -1.27 2.58 3.38 -0.95 -2.57 115.31 118.66 1rz3 h LEU 46 Ca 0.35 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 58.13 1rz3 h LEU 46 Cb -0.10 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.40 1rz3 h LEU 46 CO -0.07 0.82 0.48 0.03 0.09 0.00 0.00 178.44 179.79 1rz3 h ARG 47 N 0.83 0.97 0.00 1.13 3.08 -0.87 0.85 114.38 120.37 1rz3 h ARG 47 Ca 0.19 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.18 1rz3 h ARG 47 Cb 0.27 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1rz3 h ARG 47 CO -0.01 0.65 0.00 0.93 -1.07 0.00 0.00 179.97 180.47 1rz3 h GLU 48 N 1.00 0.00 -0.39 0.04 5.08 -1.09 -0.63 114.58 118.59 1rz3 h GLU 48 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1rz3 h GLU 48 Cb -0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.15 1rz3 h GLU 48 CO -0.06 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 178.99 1rz3 n GLN 49 N -2.50 2.08 -0.62 2.33 1.13 0.20 -4.91 117.38 115.09 1rz3 n GLN 49 Ca 0.02 -1.65 0.00 0.00 -1.94 0.00 0.00 57.00 53.43 1rz3 n GLN 49 Cb 0.27 -1.40 0.00 0.00 0.11 0.00 0.00 30.24 29.22 1rz3 n GLN 49 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1rz3 n GLY 50 N 1.27 0.62 3.55 1.08 0.00 -0.24 -5.06 105.19 106.40 1rz3 n GLY 50 Ca 0.17 -0.66 -0.35 0.00 0.00 0.00 0.00 46.02 45.18 1rz3 n GLY 50 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rz3 s ILE 51 N -2.00 4.40 -0.28 -0.61 -1.09 -0.63 -4.99 121.20 116.00 1rz3 s ILE 51 Ca 0.00 -0.17 -0.25 0.00 -2.23 0.00 0.00 60.65 58.00 1rz3 s ILE 51 Cb 0.00 -2.98 0.00 0.00 -1.58 0.00 0.00 42.46 37.90 1rz3 s ILE 51 CO 0.00 0.45 0.86 -0.44 -1.23 0.00 0.00 174.94 174.57 1rz3 s SER 52 N 0.63 6.79 -0.08 3.58 0.01 -1.26 -3.36 113.70 120.01 1rz3 s SER 52 Ca 0.01 0.91 0.04 0.00 1.31 0.00 0.00 55.95 58.23 1rz3 s SER 52 Cb -0.14 -2.44 -0.00 0.00 0.21 0.00 0.00 66.02 63.65 1rz3 s SER 52 CO 0.02 -0.61 -0.22 -0.69 0.41 0.00 0.00 173.24 172.15 1rz3 s VAL 53 N 3.01 1.89 -0.15 3.43 1.01 -1.26 -0.57 120.40 127.75 1rz3 s VAL 53 Ca 0.36 -0.94 -0.05 0.00 0.00 0.00 0.00 61.98 61.35 1rz3 s VAL 53 Cb -0.14 -1.63 -0.03 0.00 0.00 0.00 0.00 36.38 34.58 1rz3 s VAL 53 CO 0.10 0.52 -0.00 0.00 0.00 0.00 0.00 175.10 175.73 1rz3 s VAL 55 N 0.20 2.62 0.04 0.00 1.01 -1.26 -4.33 120.40 118.67 1rz3 s VAL 55 Ca 0.00 -0.88 0.08 0.00 0.00 0.00 0.00 61.98 61.19 1rz3 s VAL 55 Cb -0.13 -2.00 -0.03 0.00 0.00 0.00 0.00 36.38 34.22 1rz3 s VAL 55 CO 0.02 0.58 -0.24 -0.36 0.00 0.00 0.00 175.10 175.10 1rz3 s PHE 56 N -0.45 2.08 0.00 5.22 0.08 -1.26 -5.02 117.98 118.63 1rz3 s PHE 56 Ca 0.05 -0.39 0.00 0.00 0.12 0.00 0.00 56.93 56.71 1rz3 s PHE 56 Cb -0.12 -1.25 0.00 0.00 -0.57 0.00 0.00 43.02 41.08 1rz3 s PHE 56 CO 0.01 0.09 0.00 0.72 -0.10 0.00 0.00 175.22 175.95 1rz3 n HIS 57 N 1.90 0.00 0.00 0.36 8.25 -1.26 -2.03 115.22 122.43 1rz3 n HIS 57 Ca -0.17 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.29 1rz3 n HIS 57 Cb 0.52 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.63 1rz3 n HIS 57 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1rz3 n ASP 59 N -0.89 0.00 0.24 0.41 8.00 -1.26 -4.01 116.55 119.04 1rz3 n ASP 59 Ca 0.00 0.00 0.14 0.00 0.71 0.00 0.00 54.79 55.64 1rz3 n ASP 59 Cb 0.00 0.00 0.38 0.00 -0.02 0.00 0.00 41.12 41.48 1rz3 n ASP 59 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1rz3 h ASP 60 N 0.00 0.00 -0.80 -2.24 3.32 -1.96 -3.35 116.42 111.40 1rz3 h ASP 60 Ca 0.00 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.49 1rz3 h ASP 60 Cb 0.00 0.00 -0.35 0.00 0.22 0.00 0.00 39.33 39.20 1rz3 h ASP 60 CO 0.00 0.01 -0.17 1.41 -1.72 0.00 0.00 179.24 178.77 1rz3 n HIS 61 N -3.10 2.75 -2.98 4.55 8.25 -1.26 0.05 115.22 123.48 1rz3 n HIS 61 Ca 0.03 -2.43 -0.21 0.00 -0.26 0.00 0.00 57.72 54.84 1rz3 n HIS 61 Cb 0.44 -0.74 0.02 0.00 1.12 0.00 0.00 29.99 30.83 1rz3 n HIS 61 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 1rz3 s ILE 62 N -4.54 3.51 0.74 1.59 -4.36 -1.26 -4.64 121.20 112.24 1rz3 s ILE 62 Ca 0.55 -0.69 -0.08 0.00 -0.26 0.00 0.00 60.65 60.16 1rz3 s ILE 62 Cb 0.44 -3.27 0.07 0.00 1.25 0.00 0.00 42.46 40.95 1rz3 s ILE 62 CO 0.02 -0.17 1.07 0.68 0.24 0.00 0.00 174.94 176.78 1rz3 s VAL 63 N -2.52 2.22 0.79 8.37 -7.23 -0.27 -4.72 120.40 117.04 1rz3 s VAL 63 Ca 0.51 -0.17 -0.13 0.00 -1.81 0.00 0.00 61.98 60.38 1rz3 s VAL 63 Cb -0.10 -3.01 0.07 0.00 0.56 0.00 0.00 36.38 33.90 1rz3 s VAL 63 CO 0.36 -0.01 1.16 -1.83 -0.31 0.00 0.00 175.10 174.46 1rz3 s GLU 64 N -5.35 1.90 0.22 4.82 -1.05 -1.26 -4.84 118.70 113.14 1rz3 s GLU 64 Ca 0.61 1.54 -0.08 0.00 -0.15 0.00 0.00 54.97 56.89 1rz3 s GLU 64 Cb -0.11 -1.83 0.35 0.00 -0.44 0.00 0.00 34.13 32.11 1rz3 s GLU 64 CO 0.46 -1.97 1.70 0.00 0.95 0.00 0.00 175.26 176.40 1rz3 h ARG 65 N -0.89 0.28 -0.15 -4.83 3.08 -1.97 -0.55 114.38 109.35 1rz3 h ARG 65 Ca -0.45 -0.02 0.04 0.00 0.07 0.00 0.00 59.98 59.62 1rz3 h ARG 65 Cb 1.27 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.25 1rz3 h ARG 65 CO 0.48 0.19 0.36 0.00 -1.07 0.00 0.00 179.97 179.93 1rz3 h ALA 66 N 1.52 1.63 0.00 0.04 0.00 -1.91 0.14 119.26 120.67 1rz3 h ALA 66 Ca 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1rz3 h ALA 66 Cb 0.54 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1rz3 h ALA 66 CO -0.43 -0.44 -1.07 1.63 0.00 0.00 0.00 179.25 178.95 1rz3 n LYS 67 N -3.23 0.05 0.00 0.00 5.02 -0.22 -4.45 118.16 115.33 1rz3 n LYS 67 Ca 0.01 -0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1rz3 n LYS 67 Cb 0.46 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.96 1rz3 n LYS 67 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1rz3 n ARG 68 N -1.56 0.57 -4.10 1.97 1.85 -0.29 -4.77 116.66 110.32 1rz3 n ARG 68 Ca 0.03 -0.75 -0.14 0.00 -1.00 0.00 0.00 57.85 55.99 1rz3 n ARG 68 Cb 0.35 -0.86 -0.12 0.00 -1.05 0.00 0.00 32.46 30.78 1rz3 n ARG 68 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 1rz3 s TYR 69 N -0.32 0.78 -1.55 2.89 2.02 0.35 -4.70 117.35 116.82 1rz3 s TYR 69 Ca 0.00 -0.47 -0.12 0.00 -0.37 0.00 0.00 57.07 56.11 1rz3 s TYR 69 Cb 0.00 -0.46 0.09 0.00 -0.40 0.00 0.00 41.96 41.19 1rz3 s TYR 69 CO 0.00 -0.05 0.78 0.72 -1.57 0.00 0.00 175.55 175.43 1rz3 n HIS 70 N 1.50 -1.94 0.76 2.71 8.25 -1.26 -4.67 115.22 120.56 1rz3 n HIS 70 Ca -0.22 0.83 0.11 0.00 -0.26 0.00 0.00 57.72 58.19 1rz3 n HIS 70 Cb 0.55 -3.60 0.10 0.00 1.12 0.00 0.00 29.99 28.16 1rz3 n HIS 70 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1rz3 n THR 71 N -4.49 0.12 0.00 1.59 -2.24 -1.26 -4.94 114.28 103.07 1rz3 n THR 71 Ca -0.04 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1rz3 n THR 71 Cb 0.56 0.26 0.00 0.00 -2.10 0.00 0.00 70.33 69.04 1rz3 n THR 71 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rz3 n GLY 72 N 1.42 2.95 3.89 3.38 0.00 -1.26 -5.05 105.19 110.52 1rz3 n GLY 72 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 1rz3 n GLY 72 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1rz3 s ASN 73 N -1.17 5.81 0.57 1.61 0.01 -1.26 -5.02 114.94 115.48 1rz3 s ASN 73 Ca 0.00 1.06 -0.19 0.00 -0.71 0.00 0.00 52.86 53.02 1rz3 s ASN 73 Cb 0.00 -2.06 -0.04 0.00 0.41 0.00 0.00 41.25 39.56 1rz3 s ASN 73 CO 0.00 -1.03 1.21 -1.61 -1.51 0.00 0.00 177.10 174.16 1rz3 s GLU 74 N -5.12 3.09 0.46 -0.60 2.02 -1.26 -4.84 118.70 112.46 1rz3 s GLU 74 Ca 0.55 1.84 0.12 0.00 0.02 0.00 0.00 54.97 57.49 1rz3 s GLU 74 Cb -0.11 -2.01 1.06 0.00 0.10 0.00 0.00 34.13 33.18 1rz3 s GLU 74 CO 0.49 -1.11 2.10 0.93 0.02 0.00 0.00 175.26 177.69 1rz3 h GLU 75 N 1.07 0.26 -0.66 1.61 5.08 -1.95 -2.05 114.58 117.95 1rz3 h GLU 75 Ca -0.50 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 57.80 1rz3 h GLU 75 Cb 1.29 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.45 1rz3 h GLU 75 CO 0.56 0.18 0.24 0.11 -1.00 0.00 0.00 179.01 179.10 1rz3 h TRP 76 N 0.27 1.00 -0.38 4.33 5.08 -1.62 -0.97 115.95 123.67 1rz3 h TRP 76 Ca 0.07 -0.07 -0.14 0.00 1.08 0.00 0.00 58.89 59.83 1rz3 h TRP 76 Cb -0.02 -0.30 -0.01 0.00 -3.00 0.00 0.00 29.16 25.83 1rz3 h TRP 76 CO 0.00 0.78 -0.33 0.35 -1.28 0.00 0.00 178.44 177.96 1rz3 h PHE 77 N 0.96 1.00 -0.39 0.12 3.57 -1.71 -0.72 116.94 119.77 1rz3 h PHE 77 Ca 0.22 -0.28 -0.04 0.00 3.53 0.00 0.00 57.97 61.41 1rz3 h PHE 77 Cb 0.22 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 1rz3 h PHE 77 CO 0.02 1.06 0.10 0.93 -2.23 0.00 0.00 178.31 178.19 1rz3 h GLU 78 N 0.71 0.61 -0.27 1.11 5.08 -1.03 0.14 114.58 120.94 1rz3 h GLU 78 Ca 0.07 -0.14 -0.06 0.00 -1.00 0.00 0.00 59.36 58.22 1rz3 h GLU 78 Cb 0.90 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 1rz3 h GLU 78 CO 0.08 0.64 -0.08 -0.92 -1.00 0.00 0.00 179.01 177.73 1rz3 h TYR 79 N 0.48 0.60 0.24 4.33 3.20 -1.10 0.21 116.97 124.93 1rz3 h TYR 79 Ca 0.12 -0.13 -0.34 0.00 3.14 0.00 0.00 58.73 61.52 1rz3 h TYR 79 Cb 0.29 -0.14 0.03 0.00 1.54 0.00 0.00 36.73 38.45 1rz3 h TYR 79 CO 0.01 0.75 -1.51 -0.92 -1.64 0.00 0.00 178.16 174.85 1rz3 h TYR 80 N 0.27 0.94 0.00 -3.82 3.20 -1.12 -3.36 116.97 113.09 1rz3 h TYR 80 Ca 0.07 -0.68 -0.23 0.00 3.14 0.00 0.00 58.73 61.02 1rz3 h TYR 80 Cb 0.56 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.75 1rz3 h TYR 80 CO 0.05 1.57 -2.03 0.66 -1.64 0.00 0.00 178.16 176.78 1rz3 n TYR 81 N -3.69 0.00 -0.04 -3.82 4.01 0.03 -4.74 117.16 108.90 1rz3 n TYR 81 Ca -0.18 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.57 1rz3 n TYR 81 Cb 1.10 -0.70 -0.13 0.00 -0.31 0.00 0.00 39.34 39.30 1rz3 n TYR 81 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1rz3 n LEU 82 N -2.48 0.00 0.11 7.72 4.77 -0.76 -4.53 117.00 121.82 1rz3 n LEU 82 Ca -0.21 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 55.86 1rz3 n LEU 82 Cb 0.90 0.20 0.56 0.00 -2.33 0.00 0.00 43.42 42.75 1rz3 n LEU 82 CO 0.34 0.20 1.13 -0.61 -1.33 0.00 0.00 177.39 177.12 1rz3 h GLN 83 N 0.00 0.22 -6.34 3.23 4.15 -0.75 -3.41 115.11 112.21 1rz3 h GLN 83 Ca -0.22 -0.01 -0.70 0.00 0.77 0.00 0.00 58.65 58.49 1rz3 h GLN 83 Cb 1.40 -0.05 -0.31 0.00 0.21 0.00 0.00 27.48 28.74 1rz3 h GLN 83 CO 0.01 0.15 -0.89 -1.58 -1.93 0.00 0.00 178.83 174.59 1rz3 s TRP 84 N -5.24 2.37 -1.15 3.99 0.51 -1.26 -1.11 118.94 117.05 1rz3 s TRP 84 Ca -0.06 -0.57 -0.17 0.00 -2.12 0.00 0.00 56.10 53.18 1rz3 s TRP 84 Cb 0.18 -1.54 0.12 0.00 -0.81 0.00 0.00 33.47 31.41 1rz3 s TRP 84 CO 0.71 -0.12 1.46 0.34 -0.51 0.00 0.00 176.95 178.83 1rz3 s ASP 85 N -0.41 6.84 0.22 2.95 -1.08 -1.26 -4.84 116.67 119.09 1rz3 s ASP 85 Ca 0.04 -2.44 -0.09 0.00 -0.52 0.00 0.00 52.55 49.53 1rz3 s ASP 85 Cb -0.12 -2.47 0.33 0.00 -1.46 0.00 0.00 42.92 39.20 1rz3 s ASP 85 CO 0.01 -1.03 1.68 0.58 0.52 0.00 0.00 175.17 176.92 1rz3 h VAL 86 N 5.44 0.53 -0.45 1.11 2.07 -1.94 -1.21 116.25 121.80 1rz3 h VAL 86 Ca 0.31 -0.06 -0.07 0.00 0.82 0.00 0.00 66.70 67.69 1rz3 h VAL 86 Cb 0.92 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1rz3 h VAL 86 CO 1.30 0.03 -0.00 -0.08 0.02 0.00 0.00 177.57 178.84 1rz3 h GLU 87 N 0.18 0.79 -0.45 1.57 4.81 -1.99 -0.74 114.58 118.75 1rz3 h GLU 87 Ca 0.34 -0.26 -0.03 0.00 -0.13 0.00 0.00 59.36 59.28 1rz3 h GLU 87 Cb 0.55 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.84 1rz3 h GLU 87 CO -0.49 0.86 0.15 2.35 -0.73 0.00 0.00 179.01 181.15 1rz3 h TRP 88 N 0.64 0.72 -0.36 0.92 7.01 -1.87 -1.73 115.95 121.28 1rz3 h TRP 88 Ca 0.13 -0.07 -0.06 0.00 2.11 0.00 0.00 58.89 61.00 1rz3 h TRP 88 Cb 0.50 -0.21 -0.02 0.00 -2.10 0.00 0.00 29.16 27.33 1rz3 h TRP 88 CO 0.04 0.64 -0.04 -0.07 -2.79 0.00 0.00 178.44 176.22 1rz3 h LEU 89 N 0.60 0.55 -0.32 0.65 3.38 -1.13 0.38 115.31 119.42 1rz3 h LEU 89 Ca 0.15 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1rz3 h LEU 89 Cb 0.25 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1rz3 h LEU 89 CO -0.01 0.65 0.14 0.74 0.09 0.00 0.00 178.44 180.05 1rz3 h THR 90 N 0.54 1.17 -0.11 0.22 2.02 -0.80 0.15 112.91 116.11 1rz3 h THR 90 Ca 0.11 -0.52 -0.05 0.00 0.77 0.00 0.00 66.41 66.71 1rz3 h THR 90 Cb 0.41 0.93 -0.00 0.00 -1.74 0.00 0.00 68.15 67.75 1rz3 h THR 90 CO 0.02 0.18 -0.13 0.45 0.37 0.00 0.00 175.52 176.42 1rz3 h HIS 91 N 0.37 0.34 0.00 3.16 3.86 -0.81 -1.12 115.15 120.95 1rz3 h HIS 91 Ca 0.11 -0.11 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1rz3 h HIS 91 Cb 0.16 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 28.56 1rz3 h HIS 91 CO -0.01 0.71 -0.78 1.04 0.86 0.00 0.00 177.93 179.76 1rz3 n GLN 92 N -4.60 0.21 0.00 2.45 1.13 0.13 -4.52 117.38 112.17 1rz3 n GLN 92 Ca -0.07 0.02 0.00 0.00 -1.94 0.00 0.00 57.00 55.02 1rz3 n GLN 92 Cb 0.35 -1.59 0.00 0.00 0.11 0.00 0.00 30.24 29.11 1rz3 n GLN 92 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 1rz3 n LEU 93 N -1.87 0.00 -0.13 1.08 7.94 0.44 -4.76 117.00 119.70 1rz3 n LEU 93 Ca 0.03 0.00 -0.04 0.00 -1.11 0.00 0.00 56.01 54.89 1rz3 n LEU 93 Cb 0.41 0.00 0.04 0.00 0.53 0.00 0.00 43.42 44.40 1rz3 n LEU 93 CO 0.38 -0.49 0.92 -0.26 -1.11 0.00 0.00 177.39 176.83 1rz3 h PHE 94 N 0.00 0.18 0.00 1.96 0.04 -1.37 -1.51 116.94 116.24 1rz3 h PHE 94 Ca 0.00 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.79 1rz3 h PHE 94 Cb 0.00 -0.02 -0.00 0.00 2.20 0.00 0.00 35.95 38.13 1rz3 h PHE 94 CO 0.00 0.04 -0.02 0.00 -0.60 0.00 0.00 178.31 177.72 1rz3 h ARG 95 N 0.25 0.00 0.00 1.51 3.08 -1.43 -2.89 114.38 114.90 1rz3 h ARG 95 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.25 1rz3 h ARG 95 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.28 1rz3 h ARG 95 CO -0.25 0.02 -0.66 1.04 -1.07 0.00 0.00 179.97 179.06 1rz3 n GLN 96 N -3.17 0.04 -0.27 0.04 1.13 -0.61 -4.48 117.38 110.06 1rz3 n GLN 96 Ca -0.01 0.00 0.07 0.00 -1.94 0.00 0.00 57.00 55.13 1rz3 n GLN 96 Cb 0.22 -1.52 0.31 0.00 0.11 0.00 0.00 30.24 29.36 1rz3 n GLN 96 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1rz3 h LEU 97 N 0.00 0.78 -0.41 1.08 3.38 -1.22 -1.77 115.31 117.16 1rz3 h LEU 97 Ca 0.00 0.02 -0.18 0.00 0.09 0.00 0.00 57.88 57.81 1rz3 h LEU 97 Cb 0.54 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1rz3 h LEU 97 CO 0.00 0.46 -0.74 0.11 0.09 0.00 0.00 178.44 178.36 1rz3 h LYS 98 N 0.86 0.36 0.00 1.13 1.79 -1.81 -3.41 116.57 115.49 1rz3 h LYS 98 Ca 0.40 -0.30 0.00 0.00 -2.18 0.00 0.00 60.65 58.57 1rz3 h LYS 98 Cb 0.40 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.12 1rz3 h LYS 98 CO -0.17 0.95 -0.42 0.00 -1.08 0.00 0.00 179.45 178.73 1rz3 n ALA 99 N -2.50 1.34 -1.76 3.86 0.00 -1.17 -4.73 120.51 115.54 1rz3 n ALA 99 Ca -0.04 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.01 1rz3 n ALA 99 Cb 0.72 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.17 1rz3 n ALA 99 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1rz3 s SER 100 N -1.09 6.04 0.06 0.00 0.01 -0.67 -4.94 113.70 113.11 1rz3 s SER 100 Ca 0.00 2.63 -0.14 0.00 1.31 0.00 0.00 55.95 59.74 1rz3 s SER 100 Cb 0.00 -2.63 -0.28 0.00 0.21 0.00 0.00 66.02 63.32 1rz3 s SER 100 CO 0.00 -1.03 1.12 -0.74 0.41 0.00 0.00 173.24 173.00 1rz3 h HIS 101 N 2.28 1.01 -3.41 2.43 2.76 -1.93 -3.39 115.15 114.91 1rz3 h HIS 101 Ca -0.50 -0.62 -0.04 0.00 -2.20 0.00 0.00 60.37 57.00 1rz3 h HIS 101 Cb 1.26 -0.09 -0.12 0.00 1.55 0.00 0.00 27.41 30.01 1rz3 h HIS 101 CO 0.51 1.46 -0.06 1.14 -1.30 0.00 0.00 177.93 179.69 1rz3 s GLN 102 N -3.04 1.20 -0.02 5.26 -2.07 -1.26 -0.76 119.66 118.97 1rz3 s GLN 102 Ca -0.09 -0.82 0.01 0.00 -1.82 0.00 0.00 55.36 52.64 1rz3 s GLN 102 Cb 0.06 0.48 0.00 0.00 -1.09 0.00 0.00 33.01 32.46 1rz3 s GLN 102 CO 0.93 -0.48 -0.05 -0.51 -1.32 0.00 0.00 175.29 173.86 1rz3 s LEU 103 N -2.85 1.77 -0.25 2.60 1.43 0.21 -4.92 118.68 116.67 1rz3 s LEU 103 Ca 0.07 -0.10 -0.03 0.00 -1.03 0.00 0.00 54.13 53.04 1rz3 s LEU 103 Cb 0.01 -0.32 0.02 0.00 0.03 0.00 0.00 46.19 45.92 1rz3 s LEU 103 CO -0.07 0.03 -0.03 -0.89 0.23 0.00 0.00 176.35 175.61 1rz3 s THR 104 N 0.22 3.11 0.15 5.49 2.01 -1.26 -0.09 115.64 125.25 1rz3 s THR 104 Ca -0.02 -0.92 0.06 0.00 0.31 0.00 0.00 61.69 61.12 1rz3 s THR 104 Cb -0.06 -2.57 -0.04 0.00 0.01 0.00 0.00 72.50 69.84 1rz3 s THR 104 CO -0.00 0.20 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.23 1rz3 s LEU 105 N 1.37 2.47 -0.19 4.42 1.43 -0.41 -4.92 118.68 122.84 1rz3 s LEU 105 Ca 0.01 -0.90 -0.28 0.00 -1.03 0.00 0.00 54.13 51.93 1rz3 s LEU 105 Cb -0.17 -0.54 -0.00 0.00 0.03 0.00 0.00 46.19 45.51 1rz3 s LEU 105 CO -0.03 -0.19 0.98 -2.16 0.23 0.00 0.00 176.35 175.19 1rz3 s PRO 106 N -3.13 4.30 -0.23 1.29 0.04 -1.26 -1.40 135.00 134.62 1rz3 s PRO 106 Ca 0.14 1.29 -0.10 0.00 0.04 0.00 0.00 61.00 62.37 1rz3 s PRO 106 Cb -0.02 -3.61 -0.05 0.00 0.04 0.00 0.00 34.50 30.86 1rz3 s PRO 106 CO 0.03 -0.49 0.14 -0.06 0.04 0.00 0.00 177.00 176.66 1rz3 s PHE 107 N 2.71 3.30 0.02 0.56 0.08 0.11 -4.67 117.98 120.09 1rz3 s PHE 107 Ca 0.44 0.18 -0.30 0.00 0.12 0.00 0.00 56.93 57.37 1rz3 s PHE 107 Cb -0.16 -2.24 -0.04 0.00 -0.57 0.00 0.00 43.02 40.02 1rz3 s PHE 107 CO 0.10 0.07 0.96 -0.47 -0.10 0.00 0.00 175.22 175.79 1rz3 s TYR 108 N 0.96 3.69 -0.43 0.36 5.04 0.11 -1.89 117.35 125.19 1rz3 s TYR 108 Ca 0.07 1.70 -0.12 0.00 -2.44 0.00 0.00 57.07 56.29 1rz3 s TYR 108 Cb -0.13 -3.09 0.06 0.00 0.35 0.00 0.00 41.96 39.15 1rz3 s TYR 108 CO 0.03 0.04 0.30 0.34 -1.34 0.00 0.00 175.55 174.93 1rz3 s ASP 109 N 0.77 5.84 0.35 4.32 -1.08 0.31 -4.85 116.67 122.33 1rz3 s ASP 109 Ca 0.50 -1.33 0.04 0.00 -0.52 0.00 0.00 52.55 51.25 1rz3 s ASP 109 Cb -0.21 -2.07 0.69 0.00 -1.46 0.00 0.00 42.92 39.87 1rz3 s ASP 109 CO 0.28 -0.54 1.97 0.45 0.52 0.00 0.00 175.17 177.85 1rz3 h HIS 110 N 8.54 0.80 -0.07 -5.34 3.86 -1.96 0.18 115.15 121.16 1rz3 h HIS 110 Ca -0.25 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 58.95 1rz3 h HIS 110 Cb 1.10 -0.27 -0.00 0.00 1.06 0.00 0.00 27.41 29.30 1rz3 h HIS 110 CO 0.61 0.45 -0.05 0.93 0.86 0.00 0.00 177.93 180.73 1rz3 h GLU 111 N 0.81 0.16 -0.01 2.45 5.08 -1.96 -3.27 114.58 117.84 1rz3 h GLU 111 Ca 0.29 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1rz3 h GLU 111 Cb 0.13 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1rz3 h GLU 111 CO -0.09 0.55 -0.18 0.25 -1.00 0.00 0.00 179.01 178.55 1rz3 n THR 112 N -4.75 0.00 -3.93 1.13 -2.24 -1.17 -4.96 114.28 98.36 1rz3 n THR 112 Ca -0.07 -0.22 -0.27 0.00 -2.27 0.00 0.00 64.05 61.21 1rz3 n THR 112 Cb 0.27 0.66 -0.00 0.00 -2.10 0.00 0.00 70.33 69.16 1rz3 n THR 112 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1rz3 n ASP 113 N -0.10 -1.88 -4.18 3.42 2.03 0.62 -4.97 116.55 111.49 1rz3 n ASP 113 Ca 0.14 -0.92 -0.11 0.00 0.52 0.00 0.00 54.79 54.42 1rz3 n ASP 113 Cb 0.39 -3.40 -0.10 0.00 -0.72 0.00 0.00 41.12 37.29 1rz3 n ASP 113 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1rz3 s THR 114 N -3.65 0.46 0.16 5.18 -4.23 -1.15 -4.83 115.64 107.58 1rz3 s THR 114 Ca 0.26 -1.92 0.09 0.00 -1.18 0.00 0.00 61.69 58.94 1rz3 s THR 114 Cb -0.13 -1.90 -0.04 0.00 1.34 0.00 0.00 72.50 71.77 1rz3 s THR 114 CO 0.87 -0.66 -0.16 -1.00 -0.54 0.00 0.00 174.62 173.13 1rz3 s HIS 115 N -3.79 2.52 -0.00 3.99 3.76 -1.26 -0.53 115.29 119.98 1rz3 s HIS 115 Ca 0.18 -0.27 0.01 0.00 -0.15 0.00 0.00 55.06 54.83 1rz3 s HIS 115 Cb 0.07 -1.28 -0.00 0.00 1.11 0.00 0.00 32.58 32.48 1rz3 s HIS 115 CO -0.01 0.46 -0.02 -1.54 -0.85 0.00 0.00 174.74 172.78 1rz3 s SER 116 N -2.54 0.28 -0.18 1.40 1.04 -0.79 -4.90 113.70 108.01 1rz3 s SER 116 Ca 0.21 -0.06 -0.28 0.00 0.48 0.00 0.00 55.95 56.31 1rz3 s SER 116 Cb -0.09 -0.03 -0.00 0.00 0.10 0.00 0.00 66.02 66.00 1rz3 s SER 116 CO 0.12 0.02 0.98 -0.54 0.98 0.00 0.00 173.24 174.81 1rz3 s LYS 117 N -0.09 4.31 0.15 4.02 1.02 -1.26 0.05 119.74 127.94 1rz3 s LYS 117 Ca 0.00 1.29 0.06 0.00 0.02 0.00 0.00 55.97 57.35 1rz3 s LYS 117 Cb -0.01 -3.60 -0.04 0.00 -0.52 0.00 0.00 37.83 33.66 1rz3 s LYS 117 CO -0.00 -0.47 -0.13 1.03 -0.92 0.00 0.00 175.35 174.85 1rz3 s ARG 118 N 2.63 1.11 -0.06 1.68 1.81 -0.49 -4.95 118.95 120.67 1rz3 s ARG 118 Ca 0.44 -1.37 0.02 0.00 -1.72 0.00 0.00 55.73 53.10 1rz3 s ARG 118 Cb -0.16 -0.90 -0.03 0.00 -0.45 0.00 0.00 34.95 33.41 1rz3 s ARG 118 CO 0.11 0.16 -0.10 0.99 -0.68 0.00 0.00 175.30 175.78 1rz3 s THR 119 N -2.58 3.45 -0.11 0.02 2.01 -1.26 -1.29 115.64 115.87 1rz3 s THR 119 Ca 0.14 -0.58 0.02 0.00 0.31 0.00 0.00 61.69 61.59 1rz3 s THR 119 Cb -0.02 -2.39 0.01 0.00 0.01 0.00 0.00 72.50 70.11 1rz3 s THR 119 CO 0.03 0.60 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.68 1rz3 s VAL 120 N -0.77 1.75 -0.18 3.82 1.01 0.86 -4.98 120.40 121.92 1rz3 s VAL 120 Ca 0.12 -0.81 -0.17 0.00 0.00 0.00 0.00 61.98 61.12 1rz3 s VAL 120 Cb -0.11 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 1rz3 s VAL 120 CO 0.01 0.49 0.42 -0.31 0.00 0.00 0.00 175.10 175.72 1rz3 s TYR 121 N 0.77 3.41 -0.16 5.22 2.02 -1.26 -0.62 117.35 126.73 1rz3 s TYR 121 Ca -0.10 0.69 -0.01 0.00 -0.37 0.00 0.00 57.07 57.29 1rz3 s TYR 121 Cb -0.16 -2.54 -0.23 0.00 -0.40 0.00 0.00 41.96 38.64 1rz3 s TYR 121 CO 0.01 0.03 0.17 1.28 -1.57 0.00 0.00 175.55 175.48 1rz3 n LEU 122 N 4.29 2.45 0.00 -1.29 4.77 0.06 -4.94 117.00 122.34 1rz3 n LEU 122 Ca -0.08 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1rz3 n LEU 122 Cb 0.51 -0.85 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 1rz3 n LEU 122 CO 0.41 0.82 0.00 -1.20 -1.33 0.00 0.00 177.39 176.09 1rz3 n SER 123 N -3.33 0.00 -2.14 -1.43 7.64 -0.01 -0.32 113.62 114.03 1rz3 n SER 123 Ca -0.35 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.29 1rz3 n SER 123 Cb 1.04 0.00 0.14 0.00 -1.01 0.00 0.00 64.21 64.38 1rz3 n SER 123 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1rz3 n ASP 124 N 0.50 4.54 -4.76 6.43 5.75 -1.26 -4.97 116.55 122.78 1rz3 n ASP 124 Ca 0.00 -3.49 -0.40 0.00 -0.01 0.00 0.00 54.79 50.89 1rz3 n ASP 124 Cb 0.00 -0.85 0.02 0.00 -1.03 0.00 0.00 41.12 39.26 1rz3 n ASP 124 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 1rz3 s SER 125 N -1.15 5.85 0.00 -1.12 0.01 0.56 -4.90 113.70 112.94 1rz3 s SER 125 Ca 0.53 2.85 0.28 0.00 1.31 0.00 0.00 55.95 60.93 1rz3 s SER 125 Cb 0.44 -2.65 1.16 0.00 0.21 0.00 0.00 66.02 65.18 1rz3 s SER 125 CO 0.07 -1.19 1.81 0.47 0.41 0.00 0.00 173.24 174.82 1rz3 n ASP 126 N -0.28 0.79 -2.10 2.44 8.00 0.27 -4.70 116.55 120.97 1rz3 n ASP 126 Ca 0.06 -0.92 -0.06 0.00 0.71 0.00 0.00 54.79 54.57 1rz3 n ASP 126 Cb 0.43 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.53 1rz3 n ASP 126 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1rz3 n ILE 128 N -0.61 0.00 0.00 0.53 2.08 0.19 -1.54 119.36 120.01 1rz3 n ILE 128 Ca 0.16 -0.75 0.00 0.00 0.56 0.00 0.00 62.75 62.72 1rz3 n ILE 128 Cb 0.29 0.61 0.00 0.00 -0.75 0.00 0.00 39.64 39.79 1rz3 n ILE 128 CO 0.00 0.00 0.00 -0.38 0.56 0.00 0.00 176.55 176.73 1rz3 n ILE 130 N -0.33 0.00 -4.89 1.39 5.41 -0.34 -0.30 119.36 120.30 1rz3 n ILE 130 Ca -0.03 0.00 -0.27 0.00 1.00 0.00 0.00 62.75 63.45 1rz3 n ILE 130 Cb 0.35 0.00 -0.15 0.00 -0.71 0.00 0.00 39.64 39.13 1rz3 n ILE 130 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1rz3 s GLU 131 N 0.00 1.59 0.00 0.38 4.04 -0.86 -0.20 118.70 123.65 1rz3 s GLU 131 Ca 0.00 -0.82 0.00 0.00 0.04 0.00 0.00 54.97 54.19 1rz3 s GLU 131 Cb 0.00 -1.60 0.00 0.00 0.02 0.00 0.00 34.13 32.55 1rz3 s GLU 131 CO 0.00 0.43 0.00 0.41 -1.84 0.00 0.00 175.26 174.26 1rz3 n GLY 132 N 2.31 -0.37 3.88 -3.83 0.00 -0.85 -4.40 105.19 101.94 1rz3 n GLY 132 Ca -0.16 -1.12 -0.31 0.00 0.00 0.00 0.00 46.02 44.43 1rz3 n GLY 132 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rz3 s VAL 133 N -2.00 4.89 -1.47 1.61 0.11 -1.25 -3.12 120.40 119.17 1rz3 s VAL 133 Ca 0.00 0.47 -0.12 0.00 -2.93 0.00 0.00 61.98 59.40 1rz3 s VAL 133 Cb 0.00 -3.66 0.06 0.00 -1.53 0.00 0.00 36.38 31.25 1rz3 s VAL 133 CO 0.00 -0.21 1.05 0.49 -3.33 0.00 0.00 175.10 173.09 1rz3 n PHE 134 N -0.52 -2.48 0.19 1.54 3.72 -1.26 -4.89 117.46 113.76 1rz3 n PHE 134 Ca 0.01 0.94 0.05 0.00 -0.05 0.00 0.00 57.45 58.40 1rz3 n PHE 134 Cb 0.53 -4.33 0.39 0.00 -0.94 0.00 0.00 39.48 35.13 1rz3 n PHE 134 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1rz3 h LEU 135 N -2.28 0.00 -2.89 4.37 3.38 -1.94 -3.22 115.31 112.73 1rz3 h LEU 135 Ca -0.58 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.20 1rz3 h LEU 135 Cb 1.37 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 42.01 1rz3 h LEU 135 CO 0.63 0.35 0.25 0.00 0.09 0.00 0.00 178.44 179.77 1rz3 n GLN 136 N -3.72 2.16 -2.14 1.13 6.02 -1.26 -4.29 117.38 115.28 1rz3 n GLN 136 Ca -0.01 -1.69 -0.36 0.00 -0.01 0.00 0.00 57.00 54.93 1rz3 n GLN 136 Cb 0.45 -1.74 0.01 0.00 1.02 0.00 0.00 30.24 29.98 1rz3 n GLN 136 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 1rz3 s ARG 137 N -1.87 3.37 0.41 -1.09 1.70 -1.22 -4.69 118.95 115.55 1rz3 s ARG 137 Ca 0.31 1.80 0.24 0.00 -0.47 0.00 0.00 55.73 57.61 1rz3 s ARG 137 Cb 0.25 -2.15 1.25 0.00 -0.57 0.00 0.00 34.95 33.74 1rz3 s ARG 137 CO 0.07 -0.88 1.69 1.57 -1.08 0.00 0.00 175.30 176.67 1rz3 h LYS 138 N 1.44 0.23 -0.25 3.89 2.10 -1.95 -1.53 116.57 120.50 1rz3 h LYS 138 Ca -0.50 -0.01 -0.09 0.00 -2.00 0.00 0.00 60.65 58.04 1rz3 h LYS 138 Cb 1.27 -0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 32.53 1rz3 h LYS 138 CO 0.58 0.15 -0.24 0.93 -2.00 0.00 0.00 179.45 178.87 1rz3 h GLU 139 N 0.24 0.47 0.00 0.07 3.07 -1.95 -3.33 114.58 113.15 1rz3 h GLU 139 Ca 0.71 -0.17 -0.34 0.00 -0.50 0.00 0.00 59.36 59.06 1rz3 h GLU 139 Cb 2.01 -0.03 -0.06 0.00 -0.84 0.00 0.00 28.75 29.83 1rz3 h GLU 139 CO -0.38 0.68 -2.09 0.91 -1.40 0.00 0.00 179.01 176.73 1rz3 n TRP 140 N -4.13 0.45 -0.35 4.33 8.01 -0.62 -4.62 117.44 120.51 1rz3 n TRP 140 Ca -0.00 0.16 0.09 0.00 -1.31 0.00 0.00 57.50 56.43 1rz3 n TRP 140 Cb 0.39 -1.08 0.18 0.00 -2.01 0.00 0.00 31.31 28.79 1rz3 n TRP 140 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.69 177.22 1rz3 n ARG 141 N -2.89 -0.09 0.33 -0.99 1.74 -0.92 -1.38 116.66 112.47 1rz3 n ARG 141 Ca -0.26 1.52 0.19 0.00 -0.77 0.00 0.00 57.85 58.53 1rz3 n ARG 141 Cb 1.11 -2.32 0.99 0.00 -1.02 0.00 0.00 32.46 31.22 1rz3 n ARG 141 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1rz3 h PRO 142 N 0.00 0.00 -0.29 5.56 0.11 -1.82 -2.39 132.00 133.18 1rz3 h PRO 142 Ca 0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.62 1rz3 h PRO 142 Cb 0.87 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.98 1rz3 h PRO 142 CO -0.99 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 177.99 1rz3 n PHE 143 N -3.00 0.37 -4.20 0.65 3.72 -0.48 -4.88 117.46 109.65 1rz3 n PHE 143 Ca -0.02 -0.19 -0.35 0.00 -0.05 0.00 0.00 57.45 56.85 1rz3 n PHE 143 Cb 0.25 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.70 1rz3 n PHE 143 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 1rz3 s PHE 144 N -1.63 3.22 -0.12 1.38 0.08 -0.90 -4.79 117.98 115.21 1rz3 s PHE 144 Ca 0.35 0.10 0.17 0.00 0.12 0.00 0.00 56.93 57.68 1rz3 s PHE 144 Cb 0.20 -1.94 -0.14 0.00 -0.57 0.00 0.00 43.02 40.57 1rz3 s PHE 144 CO 0.29 0.30 0.79 -0.25 -0.10 0.00 0.00 175.22 176.25 1rz3 n ASP 145 N 2.86 0.81 -3.69 1.36 8.00 0.51 -4.90 116.55 121.51 1rz3 n ASP 145 Ca -0.18 0.36 -0.10 0.00 0.71 0.00 0.00 54.79 55.58 1rz3 n ASP 145 Cb 0.53 0.23 -0.10 0.00 -0.02 0.00 0.00 41.12 41.77 1rz3 n ASP 145 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1rz3 s PHE 146 N -2.93 -0.69 -0.06 1.24 5.36 -1.02 -5.02 117.98 114.86 1rz3 s PHE 146 Ca -0.03 1.47 0.02 0.00 -0.96 0.00 0.00 56.93 57.43 1rz3 s PHE 146 Cb 0.09 0.33 0.01 0.00 -0.34 0.00 0.00 43.02 43.11 1rz3 s PHE 146 CO 0.81 -0.37 -0.12 0.08 -1.46 0.00 0.00 175.22 174.16 1rz3 s VAL 147 N 1.32 1.13 -0.16 3.12 1.01 -1.26 -0.33 120.40 125.22 1rz3 s VAL 147 Ca -0.09 -0.49 -0.04 0.00 0.00 0.00 0.00 61.98 61.36 1rz3 s VAL 147 Cb -0.07 -1.02 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 1rz3 s VAL 147 CO -0.13 0.35 -0.02 -0.69 0.00 0.00 0.00 175.10 174.61 1rz3 s VAL 148 N 0.56 4.04 -0.22 2.92 1.01 0.26 -0.95 120.40 128.02 1rz3 s VAL 148 Ca -0.12 -0.30 -0.08 0.00 0.00 0.00 0.00 61.98 61.47 1rz3 s VAL 148 Cb -0.15 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 1rz3 s VAL 148 CO 0.03 0.49 0.08 -0.47 0.00 0.00 0.00 175.10 175.23 1rz3 s TYR 149 N 0.37 3.17 -0.62 5.22 5.04 0.02 -0.62 117.35 129.93 1rz3 s TYR 149 Ca -0.03 -0.14 -0.22 0.00 -2.44 0.00 0.00 57.07 54.24 1rz3 s TYR 149 Cb -0.14 -2.19 0.07 0.00 0.35 0.00 0.00 41.96 40.05 1rz3 s TYR 149 CO 0.02 -0.11 0.91 -1.17 -1.34 0.00 0.00 175.55 173.86 1rz3 s LEU 150 N 1.10 4.45 -0.27 6.97 2.96 0.13 -0.72 118.68 133.31 1rz3 s LEU 150 Ca 0.05 -0.88 -0.20 0.00 -0.22 0.00 0.00 54.13 52.88 1rz3 s LEU 150 Cb -0.14 -2.50 -0.02 0.00 0.50 0.00 0.00 46.19 44.03 1rz3 s LEU 150 CO 0.03 -1.32 0.61 -0.62 -1.32 0.00 0.00 176.35 173.73 1rz3 s ASP 151 N 3.41 6.53 0.03 3.68 2.15 -0.23 -4.44 116.67 127.80 1rz3 s ASP 151 Ca 0.22 0.59 0.05 0.00 0.43 0.00 0.00 52.55 53.85 1rz3 s ASP 151 Cb -0.17 -2.32 -0.02 0.00 -0.30 0.00 0.00 42.92 40.11 1rz3 s ASP 151 CO 0.12 -0.38 -0.14 0.00 -0.17 0.00 0.00 175.17 174.59 1rz3 n PRO 153 N 1.99 0.00 0.00 0.00 -0.04 -1.26 -5.08 135.00 130.62 1rz3 n PRO 153 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 1rz3 n PRO 153 Cb 0.55 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.01 1rz3 n PRO 153 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1rz3 n ASN 168 N 0.00 0.00 -0.27 3.54 6.94 -1.26 -5.13 115.26 119.08 1rz3 n ASN 168 Ca 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 54.58 54.55 1rz3 n ASN 168 Cb 0.00 0.00 0.12 0.00 -2.36 0.00 0.00 39.78 37.54 1rz3 n ASN 168 CO 0.00 0.00 0.00 0.40 -1.03 0.00 0.00 177.26 176.63 1rz3 h ILE 169 N 0.00 1.01 -0.83 1.53 2.04 -2.06 -2.14 117.51 117.07 1rz3 h ILE 169 Ca 0.00 -0.29 0.03 0.00 1.00 0.00 0.00 64.86 65.60 1rz3 h ILE 169 Cb 0.00 0.11 -0.05 0.00 -0.74 0.00 0.00 36.82 36.14 1rz3 h ILE 169 CO 0.00 0.15 0.54 -0.61 0.00 0.00 0.00 178.15 178.23 1rz3 h GLN 170 N 0.83 1.02 -0.66 2.37 5.75 -2.05 -1.17 115.11 121.19 1rz3 h GLN 170 Ca 0.33 -0.06 -0.05 0.00 -0.15 0.00 0.00 58.65 58.72 1rz3 h GLN 170 Cb 0.17 -0.23 -0.03 0.00 1.07 0.00 0.00 27.48 28.46 1rz3 h GLN 170 CO -0.17 0.67 0.22 0.87 -2.65 0.00 0.00 178.83 177.77 1rz3 h LYS 171 N 1.05 1.02 -0.47 1.69 1.57 -1.84 0.15 116.57 119.73 1rz3 h LYS 171 Ca 0.33 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 1rz3 h LYS 171 Cb -0.01 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.13 1rz3 h LYS 171 CO -0.11 0.88 0.27 0.35 -0.57 0.00 0.00 179.45 180.28 1rz3 h PHE 172 N 0.96 0.64 -0.18 -1.35 3.57 -0.83 -1.40 116.94 118.35 1rz3 h PHE 172 Ca 0.22 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.70 1rz3 h PHE 172 Cb 0.27 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 1rz3 h PHE 172 CO 0.02 0.47 0.10 0.82 -2.23 0.00 0.00 178.31 177.49 1rz3 h ILE 173 N 0.63 1.10 -0.47 1.41 2.04 -0.92 0.47 117.51 121.76 1rz3 h ILE 173 Ca 0.17 -0.28 0.06 0.00 1.00 0.00 0.00 64.86 65.81 1rz3 h ILE 173 Cb 0.03 0.96 -0.05 0.00 -0.74 0.00 0.00 36.82 37.01 1rz3 h ILE 173 CO -0.03 0.10 0.17 0.78 0.00 0.00 0.00 178.15 179.17 1rz3 h ASN 174 N 0.19 0.17 0.00 1.72 2.35 -0.69 -1.70 115.58 117.62 1rz3 h ASN 174 Ca 0.06 0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 1rz3 h ASN 174 Cb 0.07 0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.48 1rz3 h ASN 174 CO -0.01 0.13 -0.41 -0.09 -1.65 0.00 0.00 177.43 175.40 1rz3 h ARG 175 N 0.34 0.00 0.19 0.81 2.43 -1.18 -2.55 114.38 114.42 1rz3 h ARG 175 Ca 0.22 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.38 1rz3 h ARG 175 Cb 0.23 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1rz3 h ARG 175 CO -0.23 0.00 -0.09 1.88 -1.51 0.00 0.00 179.97 180.02 1rz3 h TYR 176 N -0.95 -0.23 -0.39 2.20 0.05 -1.05 -3.09 116.97 113.49 1rz3 h TYR 176 Ca 0.00 -0.01 0.06 0.00 0.05 0.00 0.00 58.73 58.83 1rz3 h TYR 176 Cb 0.41 0.08 -0.05 0.00 1.01 0.00 0.00 36.73 38.18 1rz3 h TYR 176 CO -0.18 -0.02 0.10 2.35 -1.05 0.00 0.00 178.16 179.36 1rz3 h TRP 177 N -1.03 0.17 -0.49 4.88 2.91 -1.44 -0.38 115.95 120.57 1rz3 h TRP 177 Ca -0.03 0.02 -0.10 0.00 1.13 0.00 0.00 58.89 59.92 1rz3 h TRP 177 Cb 0.32 -0.02 -0.02 0.00 -0.51 0.00 0.00 29.16 28.93 1rz3 h TRP 177 CO 0.03 0.04 -0.10 0.87 -1.03 0.00 0.00 178.44 178.26 1rz3 h LYS 178 N 0.24 0.89 -0.40 2.65 1.57 -1.49 -0.38 116.57 119.66 1rz3 h LYS 178 Ca 0.19 -0.30 -0.05 0.00 -1.87 0.00 0.00 60.65 58.61 1rz3 h LYS 178 Cb 0.20 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1rz3 h LYS 178 CO -0.23 0.95 0.03 0.00 -0.57 0.00 0.00 179.45 179.63 1rz3 h ALA 179 N 1.08 0.53 -0.58 3.86 0.00 -1.40 -0.84 119.26 121.91 1rz3 h ALA 179 Ca 0.13 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1rz3 h ALA 179 Cb 0.61 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1rz3 h ALA 179 CO 0.04 0.27 0.30 0.93 0.00 0.00 0.00 179.25 180.79 1rz3 h GLU 180 N 0.51 0.82 -0.72 0.00 5.08 -0.89 -0.19 114.58 119.19 1rz3 h GLU 180 Ca 0.12 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 1rz3 h GLU 180 Cb 0.42 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 1rz3 h GLU 180 CO 0.01 0.64 0.29 -0.44 -1.00 0.00 0.00 179.01 178.51 1rz3 h ASP 181 N 0.78 0.97 -0.29 1.42 3.32 -0.90 -0.50 116.42 121.23 1rz3 h ASP 181 Ca 0.20 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 1rz3 h ASP 181 Cb 0.08 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 1rz3 h ASP 181 CO -0.03 0.86 0.15 0.22 -1.72 0.00 0.00 179.24 178.72 1rz3 h TYR 182 N 1.04 0.41 0.12 4.55 3.20 -0.58 -1.48 116.97 124.21 1rz3 h TYR 182 Ca 0.24 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.09 1rz3 h TYR 182 Cb 0.20 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.34 1rz3 h TYR 182 CO 0.02 0.35 -0.06 -0.92 -1.64 0.00 0.00 178.16 175.92 1rz3 h TYR 183 N 0.34 -0.14 -0.98 -3.82 3.20 -0.65 0.14 116.97 115.06 1rz3 h TYR 183 Ca 0.10 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.02 1rz3 h TYR 183 Cb 0.09 0.05 -0.06 0.00 1.54 0.00 0.00 36.73 38.35 1rz3 h TYR 183 CO -0.03 -0.06 0.64 -0.07 -1.64 0.00 0.00 178.16 177.00 1rz3 h LEU 184 N -0.19 1.03 0.17 2.82 3.38 -1.01 0.96 115.31 122.47 1rz3 h LEU 184 Ca -0.02 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.64 1rz3 h LEU 184 Cb 0.15 -0.22 0.03 0.00 0.09 0.00 0.00 40.66 40.71 1rz3 h LEU 184 CO 0.03 0.67 -1.35 -0.08 0.09 0.00 0.00 178.44 177.80 1rz3 h GLU 185 N 1.17 0.53 0.22 1.13 4.81 -1.11 -2.50 114.58 118.83 1rz3 h GLU 185 Ca 0.41 -0.82 -0.34 0.00 -0.13 0.00 0.00 59.36 58.48 1rz3 h GLU 185 Cb 0.12 0.29 0.02 0.00 0.63 0.00 0.00 28.75 29.81 1rz3 h GLU 185 CO -0.15 1.38 -1.61 1.79 -0.73 0.00 0.00 179.01 179.69 1rz3 h THR 186 N 0.19 1.12 0.00 0.32 1.35 -0.82 -3.39 112.91 111.68 1rz3 h THR 186 Ca -0.21 -2.62 0.00 0.00 -0.55 0.00 0.00 66.41 63.03 1rz3 h THR 186 Cb 2.03 2.90 0.00 0.00 -1.73 0.00 0.00 68.15 71.36 1rz3 h THR 186 CO 0.25 0.84 -0.94 -0.62 -0.25 0.00 0.00 175.52 174.79 1rz3 n GLU 187 N -3.65 1.47 -3.99 4.72 -0.58 0.32 -5.02 120.64 113.91 1rz3 n GLU 187 Ca -0.20 -0.03 -0.35 0.00 -0.42 0.00 0.00 57.16 56.16 1rz3 n GLU 187 Cb 1.09 -1.28 -0.01 0.00 -0.57 0.00 0.00 31.44 30.67 1rz3 n GLU 187 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1rz3 n GLU 188 N -1.51 -1.36 0.01 3.49 1.02 -0.94 -4.74 120.64 116.61 1rz3 n GLU 188 Ca 0.02 0.25 0.13 0.00 -0.02 0.00 0.00 57.16 57.55 1rz3 n GLU 188 Cb 0.28 -3.61 0.58 0.00 -0.02 0.00 0.00 31.44 28.67 1rz3 n GLU 188 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1rz3 h PRO 189 N -2.10 0.21 -0.36 3.49 0.13 -1.80 -0.86 132.00 130.71 1rz3 h PRO 189 Ca -0.67 -0.01 -0.15 0.00 -0.87 0.00 0.00 66.00 64.30 1rz3 h PRO 189 Cb 1.39 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.46 1rz3 h PRO 189 CO 0.57 0.14 -0.37 0.82 -0.23 0.00 0.00 178.00 178.93 1rz3 h ILE 190 N 0.21 1.28 -0.08 -3.56 2.04 -1.92 -0.93 117.51 114.55 1rz3 h ILE 190 Ca 0.21 -1.54 -0.19 0.00 1.00 0.00 0.00 64.86 64.34 1rz3 h ILE 190 Cb 0.57 1.39 -0.00 0.00 -0.74 0.00 0.00 36.82 38.04 1rz3 h ILE 190 CO -0.04 0.51 -0.76 0.50 0.00 0.00 0.00 178.15 178.36 1rz3 h LYS 191 N 0.69 0.44 0.00 2.37 3.64 -1.73 -3.26 116.57 118.72 1rz3 h LYS 191 Ca 0.06 -0.38 -0.13 0.00 -1.27 0.00 0.00 60.65 58.93 1rz3 h LYS 191 Cb 0.94 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.82 1rz3 h LYS 191 CO 0.09 1.01 -0.63 0.00 -2.27 0.00 0.00 179.45 177.66 1rz3 h ARG 192 N 0.30 0.00 -6.92 1.90 3.08 -1.06 -3.46 114.38 108.22 1rz3 h ARG 192 Ca -0.04 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.45 1rz3 h ARG 192 Cb 1.35 0.00 0.14 0.00 0.08 0.00 0.00 29.97 31.54 1rz3 h ARG 192 CO 0.13 0.63 0.47 0.00 -1.07 0.00 0.00 179.97 180.13 1rz3 n ALA 193 N -2.37 1.22 0.06 0.04 0.00 -0.37 -4.92 120.51 114.19 1rz3 n ALA 193 Ca -0.01 0.16 -0.11 0.00 0.00 0.00 0.00 53.44 53.49 1rz3 n ALA 193 Cb 0.66 -2.28 -0.01 0.00 0.00 0.00 0.00 19.45 17.83 1rz3 n ALA 193 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1rz3 h ASP 194 N 1.54 0.46 -4.01 0.00 3.32 -1.38 -3.45 116.42 112.89 1rz3 h ASP 194 Ca -0.49 -0.34 -0.19 0.00 0.02 0.00 0.00 57.03 56.02 1rz3 h ASP 194 Cb 1.31 -0.14 -0.26 0.00 0.22 0.00 0.00 39.33 40.46 1rz3 h ASP 194 CO 0.57 1.12 -0.60 -0.69 -1.72 0.00 0.00 179.24 177.92 1rz3 s VAL 195 N -3.40 0.02 -0.25 -1.35 1.01 -1.04 -5.02 120.40 110.36 1rz3 s VAL 195 Ca -0.05 -0.16 -0.03 0.00 0.00 0.00 0.00 61.98 61.75 1rz3 s VAL 195 Cb 0.10 -0.19 0.02 0.00 0.00 0.00 0.00 36.38 36.31 1rz3 s VAL 195 CO 0.85 -0.09 -0.04 -0.69 0.00 0.00 0.00 175.10 175.13 1rz3 s VAL 196 N -0.24 3.06 -0.58 2.92 1.01 -1.26 -0.80 120.40 124.51 1rz3 s VAL 196 Ca -0.03 -0.95 -0.22 0.00 0.00 0.00 0.00 61.98 60.78 1rz3 s VAL 196 Cb -0.02 -2.55 0.06 0.00 0.00 0.00 0.00 36.38 33.86 1rz3 s VAL 196 CO 0.00 0.19 0.85 0.12 0.00 0.00 0.00 175.10 176.26 1rz3 s PHE 197 N 1.36 2.84 -2.62 5.22 5.36 0.10 -4.95 117.98 125.30 1rz3 s PHE 197 Ca 0.01 -0.41 0.27 0.00 -0.96 0.00 0.00 56.93 55.83 1rz3 s PHE 197 Cb -0.17 -4.01 0.85 0.00 -0.34 0.00 0.00 43.02 39.36 1rz3 s PHE 197 CO -0.03 -1.37 1.63 -3.47 -1.46 0.00 0.00 175.22 170.52