#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q5r s SER -48 N 0.00 5.94 0.00 1.96 0.15 -1.26 -4.94 113.70 115.54 1q5r s SER -48 Ca 0.00 2.23 0.11 0.00 0.70 0.00 0.00 55.95 58.98 1q5r s SER -48 Cb 0.00 -2.59 0.36 0.00 -1.71 0.00 0.00 66.02 62.08 1q5r s SER -48 CO 0.00 -1.07 1.28 0.49 1.20 0.00 0.00 173.24 175.13 1q5r n PHE -47 N -0.93 0.31 -0.39 3.44 3.72 -1.26 -5.04 117.46 117.31 1q5r n PHE -47 Ca 0.10 -0.15 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 1q5r n PHE -47 Cb 0.50 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.04 1q5r n PHE -47 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1q5r n GLY -46 N 0.94 -2.64 3.77 1.37 0.00 -1.26 -4.94 105.19 102.44 1q5r n GLY -46 Ca 0.10 -1.65 -0.38 0.00 0.00 0.00 0.00 46.02 44.09 1q5r n GLY -46 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1q5r s SER -45 N -1.88 7.07 0.42 1.61 0.15 -1.26 -4.95 113.70 114.87 1q5r s SER -45 Ca 0.00 2.06 0.16 0.00 0.70 0.00 0.00 55.95 58.86 1q5r s SER -45 Cb 0.00 -2.60 0.94 0.00 -1.71 0.00 0.00 66.02 62.65 1q5r s SER -45 CO 0.00 -0.27 1.92 -1.13 1.20 0.00 0.00 173.24 174.96 1q5r h ASN -44 N 3.11 0.00 -0.37 5.45 -0.00 -1.92 -2.29 115.58 119.56 1q5r h ASN -44 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 55.83 1q5r h ASN -44 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.53 1q5r h ASN -44 CO 0.64 0.26 0.00 0.18 -0.00 0.00 0.00 177.43 178.52 1q5r n LEU -43 N -4.08 3.46 -1.74 0.34 4.32 -1.26 -4.94 117.00 113.10 1q5r n LEU -43 Ca -0.02 -1.47 -0.14 0.00 -0.02 0.00 0.00 56.01 54.36 1q5r n LEU -43 Cb 0.33 -0.23 0.00 0.00 -1.62 0.00 0.00 43.42 41.89 1q5r n LEU -43 CO 0.36 0.73 -0.13 -1.20 -1.22 0.00 0.00 177.39 175.94 1q5r n SER -42 N 1.50 -4.40 -4.41 -1.43 7.64 -0.86 -4.99 113.62 106.67 1q5r n SER -42 Ca 0.19 -0.06 -0.38 0.00 1.01 0.00 0.00 58.87 59.63 1q5r n SER -42 Cb 0.61 -3.48 -0.12 0.00 -1.01 0.00 0.00 64.21 60.21 1q5r n SER -42 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1q5r s SER -41 N -2.49 5.36 0.25 6.43 0.15 -1.26 -4.08 113.70 118.06 1q5r s SER -41 Ca 0.06 -0.56 -0.04 0.00 0.70 0.00 0.00 55.95 56.11 1q5r s SER -41 Cb -0.02 -1.95 0.39 0.00 -1.71 0.00 0.00 66.02 62.72 1q5r s SER -41 CO 0.07 -0.18 1.85 0.15 1.20 0.00 0.00 173.24 176.33 1q5r h PHE -40 N 8.30 1.03 0.17 3.44 3.57 -1.90 -1.76 116.94 129.79 1q5r h PHE -40 Ca -0.33 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.22 1q5r h PHE -40 Cb 1.14 -0.33 -0.03 0.00 2.79 0.00 0.00 35.95 39.52 1q5r h PHE -40 CO 0.63 0.49 -0.30 1.15 -2.23 0.00 0.00 178.31 178.05 1q5r h THR -39 N 0.99 0.35 -0.52 4.41 2.02 -1.93 -1.18 112.91 117.05 1q5r h THR -39 Ca 0.41 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.74 1q5r h THR -39 Cb 0.24 0.35 -0.02 0.00 -1.74 0.00 0.00 68.15 66.98 1q5r h THR -39 CO -0.20 0.00 0.41 -0.78 0.37 0.00 0.00 175.52 175.32 1q5r h ASP -38 N -0.55 0.00 0.06 4.18 3.58 -1.81 0.11 116.42 121.98 1q5r h ASP -38 Ca 0.02 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.47 1q5r h ASP -38 Cb 0.56 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.61 1q5r h ASP -38 CO -0.15 0.00 -0.03 0.22 -2.88 0.00 0.00 179.24 176.40 1q5r h TYR -37 N 0.00 -0.07 -0.81 0.28 3.20 -0.40 -3.10 116.97 116.07 1q5r h TYR -37 Ca 0.25 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.17 1q5r h TYR -37 Cb 1.06 0.02 -0.06 0.00 1.54 0.00 0.00 36.73 39.30 1q5r h TYR -37 CO 0.00 0.36 0.50 -0.07 -1.64 0.00 0.00 178.16 177.31 1q5r h LEU -36 N -0.53 0.79 -1.85 2.82 3.38 -0.28 -0.66 115.31 118.97 1q5r h LEU -36 Ca -0.01 0.01 0.17 0.00 0.09 0.00 0.00 57.88 58.14 1q5r h LEU -36 Cb 0.47 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1q5r h LEU -36 CO 0.01 0.51 0.59 -0.09 0.09 0.00 0.00 178.44 179.56 1q5r h ARG -35 N 0.92 0.00 0.00 1.13 9.65 -0.79 0.43 114.38 125.72 1q5r h ARG -35 Ca 0.35 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.23 1q5r h ARG -35 Cb 0.13 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.71 1q5r h ARG -35 CO -0.16 0.00 -0.04 0.41 2.80 0.00 0.00 179.97 182.98 1q5r n GLY -34 N -1.55 2.20 0.00 2.80 0.00 -0.35 -4.57 105.19 103.72 1q5r n GLY -34 Ca 0.11 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1q5r n GLY -34 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1q5r n HIS -33 N -0.59 0.00 -2.74 1.61 8.25 -0.66 -4.96 115.22 116.13 1q5r n HIS -33 Ca 0.04 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.41 1q5r n HIS -33 Cb 0.42 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.61 1q5r n HIS -33 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1q5r n ALA -32 N 0.00 -0.74 -0.32 -1.41 0.00 0.14 -5.00 120.51 113.18 1q5r n ALA -32 Ca 0.00 -1.51 0.26 0.00 0.00 0.00 0.00 53.44 52.19 1q5r n ALA -32 Cb 0.00 -1.16 0.58 0.00 0.00 0.00 0.00 19.45 18.87 1q5r n ALA -32 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1q5r h PRO -31 N 3.05 0.26 -0.78 0.00 0.11 -1.45 -0.99 132.00 132.21 1q5r h PRO -31 Ca -0.10 -0.02 0.20 0.00 0.11 0.00 0.00 66.00 66.20 1q5r h PRO -31 Cb 1.09 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 32.10 1q5r h PRO -31 CO 0.15 0.17 0.54 1.05 -0.21 0.00 0.00 178.00 179.71 1q5r h GLU -30 N 0.27 0.14 0.00 1.05 9.09 -1.90 -1.05 114.58 122.18 1q5r h GLU -30 Ca 0.58 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.98 1q5r h GLU -30 Cb 1.72 -0.03 0.00 0.00 -1.65 0.00 0.00 28.75 28.79 1q5r h GLU -30 CO -0.21 0.10 0.00 1.28 0.05 0.00 0.00 179.01 180.22 1q5r n LEU -29 N -4.38 0.58 -4.83 3.06 4.77 -0.37 -4.84 117.00 110.99 1q5r n LEU -29 Ca 0.16 0.58 -0.33 0.00 -0.03 0.00 0.00 56.01 56.39 1q5r n LEU -29 Cb 0.75 -0.43 -0.05 0.00 -2.33 0.00 0.00 43.42 41.36 1q5r n LEU -29 CO 0.36 -0.25 0.67 -0.76 -1.33 0.00 0.00 177.39 176.08 1q5r s LEU -28 N -4.14 3.78 0.16 2.23 1.43 -0.40 -4.98 118.68 116.76 1q5r s LEU -28 Ca 0.09 1.66 -0.13 0.00 -1.03 0.00 0.00 54.13 54.73 1q5r s LEU -28 Cb 0.12 -4.53 0.04 0.00 0.03 0.00 0.00 46.19 41.86 1q5r s LEU -28 CO 0.51 -0.53 1.68 -0.65 0.23 0.00 0.00 176.35 177.59 1q5r h PRO -27 N 1.39 0.84 -1.19 1.29 0.11 -1.88 -3.01 132.00 129.55 1q5r h PRO -27 Ca -0.48 -0.19 0.41 0.00 0.11 0.00 0.00 66.00 65.85 1q5r h PRO -27 Cb 1.19 -0.12 -0.14 0.00 0.11 0.00 0.00 31.00 32.04 1q5r h PRO -27 CO 0.61 0.79 0.73 0.93 -0.21 0.00 0.00 178.00 180.84 1q5r h GLU -26 N 0.74 0.10 -4.39 1.05 5.08 -1.91 -3.33 114.58 111.92 1q5r h GLU -26 Ca 0.17 -0.01 -0.72 0.00 -1.00 0.00 0.00 59.36 57.80 1q5r h GLU -26 Cb 0.31 -0.02 -0.26 0.00 0.50 0.00 0.00 28.75 29.28 1q5r h GLU -26 CO -0.00 0.07 -0.41 -0.80 -1.00 0.00 0.00 179.01 176.86 1q5r s ASN -25 N -4.57 5.85 0.00 1.42 -0.87 -1.14 -5.00 114.94 110.63 1q5r s ASN -25 Ca -0.08 -1.42 0.00 0.00 -1.57 0.00 0.00 52.86 49.79 1q5r s ASN -25 Cb 0.31 -2.07 0.00 0.00 -0.02 0.00 0.00 41.25 39.47 1q5r s ASN -25 CO 0.81 -0.58 0.00 -1.14 -2.57 0.00 0.00 177.10 173.62 1q5r n ARG -24 N 5.04 0.00 -2.64 -0.60 0.63 -1.25 -4.77 116.66 113.06 1q5r n ARG -24 Ca -0.11 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.40 1q5r n ARG -24 Cb 0.43 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.31 1q5r n ARG -24 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1q5r s ASP -6 N -4.00 7.28 0.00 6.15 3.68 -1.26 -4.92 116.67 123.59 1q5r s ASP -6 Ca 0.00 1.69 0.16 0.00 2.13 0.00 0.00 52.55 56.53 1q5r s ASP -6 Cb 0.00 -2.57 0.10 0.00 -1.45 0.00 0.00 42.92 39.00 1q5r s ASP -6 CO 0.00 -0.36 0.97 0.00 0.13 0.00 0.00 175.17 175.91 1q5r n LEU -5 N 4.26 2.17 -3.62 -1.34 -0.00 -1.26 -4.66 117.00 112.55 1q5r n LEU -5 Ca 0.07 -0.95 -0.16 0.00 -0.00 0.00 0.00 56.01 54.98 1q5r n LEU -5 Cb 0.49 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.84 1q5r n LEU -5 CO 0.53 0.39 0.26 0.00 -0.00 0.00 0.00 177.39 178.57 1q5r s ALA -4 N -1.44 -1.34 0.42 1.47 0.00 -1.26 -5.15 121.76 114.46 1q5r s ALA -4 Ca 0.17 0.87 -0.24 0.00 0.00 0.00 0.00 51.96 52.76 1q5r s ALA -4 Cb 0.13 0.05 -0.11 0.00 0.00 0.00 0.00 23.12 23.20 1q5r s ALA -4 CO 0.24 -0.33 1.02 -2.30 0.00 0.00 0.00 175.76 174.39 1q5r n PRO -3 N 1.04 1.37 -4.41 0.00 -0.02 -1.26 -4.79 135.00 126.93 1q5r n PRO -3 Ca -0.20 0.49 -0.24 0.00 -2.02 0.00 0.00 63.50 61.53 1q5r n PRO -3 Cb 0.57 -2.05 -0.13 0.00 -0.02 0.00 0.00 33.50 31.87 1q5r n PRO -3 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1q5r s HIS -2 N -1.27 1.69 0.20 6.00 -3.43 0.10 -0.97 115.29 117.62 1q5r s HIS -2 Ca 0.63 -0.40 -0.08 0.00 -0.80 0.00 0.00 55.06 54.41 1q5r s HIS -2 Cb -0.56 -0.96 -0.06 0.00 -1.43 0.00 0.00 32.58 29.57 1q5r s HIS -2 CO 0.57 0.14 -0.04 0.41 -2.00 0.00 0.00 174.74 173.82 1q5r n GLY -1 N 1.46 -1.32 3.99 -1.38 0.00 1.27 -3.42 105.19 105.79 1q5r n GLY -1 Ca -0.19 -0.06 -0.21 0.00 0.00 0.00 0.00 46.02 45.56 1q5r n GLY -1 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1q5r s THR 1 N -0.82 2.48 0.19 2.61 -4.23 -1.26 -4.33 115.64 110.27 1q5r s THR 1 Ca 0.24 -0.72 -0.30 0.00 -1.18 0.00 0.00 61.69 59.73 1q5r s THR 1 Cb -0.22 -2.75 -0.08 0.00 1.34 0.00 0.00 72.50 70.79 1q5r s THR 1 CO 0.28 0.00 1.02 -0.89 -0.54 0.00 0.00 174.62 174.48 1q5r s THR 2 N -2.82 4.05 -0.02 3.99 2.01 -1.26 -4.43 115.64 117.16 1q5r s THR 2 Ca 0.60 1.86 0.01 0.00 0.31 0.00 0.00 61.69 64.48 1q5r s THR 2 Cb -0.08 -4.19 0.01 0.00 0.01 0.00 0.00 72.50 68.25 1q5r s THR 2 CO 0.40 0.36 -0.05 -0.63 -0.69 0.00 0.00 174.62 174.01 1q5r s ILE 3 N -0.57 0.47 0.04 1.82 1.01 0.54 -1.13 121.20 123.39 1q5r s ILE 3 Ca 0.46 -0.16 0.08 0.00 0.00 0.00 0.00 60.65 61.02 1q5r s ILE 3 Cb -0.27 -0.46 -0.03 0.00 0.01 0.00 0.00 42.46 41.71 1q5r s ILE 3 CO 0.33 0.17 -0.20 -0.69 0.00 0.00 0.00 174.94 174.56 1q5r s VAL 4 N 0.43 2.64 -0.07 2.92 1.01 0.59 -1.41 120.40 126.51 1q5r s VAL 4 Ca -0.05 -1.23 0.01 0.00 0.00 0.00 0.00 61.98 60.70 1q5r s VAL 4 Cb -0.09 -2.09 0.02 0.00 0.00 0.00 0.00 36.38 34.22 1q5r s VAL 4 CO -0.00 0.34 -0.07 0.00 0.00 0.00 0.00 175.10 175.37 1q5r s ALA 5 N -0.90 0.99 0.06 5.51 0.00 0.49 -0.69 121.76 127.22 1q5r s ALA 5 Ca 0.14 -0.27 0.08 0.00 0.00 0.00 0.00 51.96 51.91 1q5r s ALA 5 Cb -0.10 -0.59 -0.03 0.00 0.00 0.00 0.00 23.12 22.40 1q5r s ALA 5 CO 0.04 -0.09 -0.21 -0.51 0.00 0.00 0.00 175.76 175.00 1q5r s LEU 6 N 1.08 2.20 -0.05 0.00 1.02 -0.85 -1.12 118.68 120.96 1q5r s LEU 6 Ca -0.08 -0.57 -0.02 0.00 0.02 0.00 0.00 54.13 53.49 1q5r s LEU 6 Cb -0.14 -0.98 -0.04 0.00 0.02 0.00 0.00 46.19 45.05 1q5r s LEU 6 CO -0.01 0.14 0.08 0.28 0.02 0.00 0.00 176.35 176.86 1q5r s THR 7 N -0.88 4.81 0.31 5.49 -1.32 0.98 -1.15 115.64 123.87 1q5r s THR 7 Ca 0.08 -0.24 -0.16 0.00 -1.21 0.00 0.00 61.69 60.15 1q5r s THR 7 Cb -0.09 -3.14 0.02 0.00 -1.51 0.00 0.00 72.50 67.78 1q5r s THR 7 CO 0.02 0.46 0.68 -0.72 -2.21 0.00 0.00 174.62 172.85 1q5r s TYR 8 N -1.09 0.10 0.00 9.09 -0.85 -0.45 -4.76 117.35 119.39 1q5r s TYR 8 Ca 0.19 -0.59 0.00 0.00 -0.52 0.00 0.00 57.07 56.15 1q5r s TYR 8 Cb -0.12 0.59 0.00 0.00 0.38 0.00 0.00 41.96 42.81 1q5r s TYR 8 CO 0.09 -1.29 0.36 1.17 -1.52 0.00 0.00 175.55 174.36 1q5r n LYS 9 N -0.48 0.00 0.00 -3.49 3.00 -1.13 -3.15 118.16 112.92 1q5r n LYS 9 Ca -0.04 0.36 0.00 0.00 -0.00 0.00 0.00 58.31 58.62 1q5r n LYS 9 Cb 0.60 -0.59 0.00 0.00 0.00 0.00 0.00 35.03 35.04 1q5r n LYS 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1q5r n GLY 10 N -0.87 -3.16 0.00 3.14 0.00 -1.26 -4.45 105.19 98.59 1q5r n GLY 10 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1q5r n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q5r n GLY 11 N -0.64 4.39 3.27 -0.02 0.00 -1.19 -4.67 105.19 106.33 1q5r n GLY 11 Ca 0.00 -0.57 -0.15 0.00 0.00 0.00 0.00 46.02 45.31 1q5r n GLY 11 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1q5r s VAL 12 N 3.88 0.59 0.09 1.61 -7.23 -0.62 -1.34 120.40 117.37 1q5r s VAL 12 Ca 0.00 -1.99 -0.08 0.00 -1.81 0.00 0.00 61.98 58.10 1q5r s VAL 12 Cb 0.00 -2.36 -0.00 0.00 0.56 0.00 0.00 36.38 34.58 1q5r s VAL 12 CO 0.00 -0.25 0.18 -1.48 -0.31 0.00 0.00 175.10 173.24 1q5r s LEU 13 N -3.23 1.47 -0.03 1.32 0.05 -0.30 -0.85 118.68 117.11 1q5r s LEU 13 Ca 0.31 -0.66 0.02 0.00 0.05 0.00 0.00 54.13 53.85 1q5r s LEU 13 Cb 0.07 0.99 0.01 0.00 -2.05 0.00 0.00 46.19 45.21 1q5r s LEU 13 CO 0.08 -0.72 -0.09 -0.76 -0.55 0.00 0.00 176.35 174.31 1q5r s LEU 14 N -2.84 1.74 -0.03 1.48 1.43 0.32 -2.00 118.68 118.77 1q5r s LEU 14 Ca 0.05 -0.20 0.02 0.00 -1.03 0.00 0.00 54.13 52.96 1q5r s LEU 14 Cb 0.05 -0.60 0.01 0.00 0.03 0.00 0.00 46.19 45.68 1q5r s LEU 14 CO -0.11 0.06 -0.08 0.00 0.23 0.00 0.00 176.35 176.45 1q5r s ALA 15 N 0.30 0.82 0.09 4.21 0.00 0.14 -0.62 121.76 126.70 1q5r s ALA 15 Ca -0.05 -0.28 0.05 0.00 0.00 0.00 0.00 51.96 51.68 1q5r s ALA 15 Cb -0.10 -0.33 -0.03 0.00 0.00 0.00 0.00 23.12 22.65 1q5r s ALA 15 CO 0.01 0.11 -0.13 0.20 0.00 0.00 0.00 175.76 175.95 1q5r s GLY 16 N 0.32 0.91 0.69 0.00 0.00 0.14 -0.30 107.32 109.08 1q5r s GLY 16 Ca -0.05 -1.14 -0.12 0.00 0.00 0.00 0.00 44.72 43.42 1q5r s GLY 16 CO 0.01 -1.19 0.71 1.34 0.00 0.00 0.00 173.10 173.97 1q5r n ASP 17 N 0.84 -1.08 0.00 1.64 4.64 -0.28 -1.01 116.55 121.29 1q5r n ASP 17 Ca -0.18 -1.04 0.00 0.00 -1.38 0.00 0.00 54.79 52.20 1q5r n ASP 17 Cb 0.56 -0.61 0.00 0.00 -1.04 0.00 0.00 41.12 40.03 1q5r n ASP 17 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 1q5r n ARG 18 N -3.25 -0.04 -2.89 -0.67 5.12 -1.26 -4.38 116.66 109.29 1q5r n ARG 18 Ca 0.09 -0.49 -0.42 0.00 -1.93 0.00 0.00 57.85 55.10 1q5r n ARG 18 Cb 0.35 -0.80 -0.04 0.00 -1.16 0.00 0.00 32.46 30.81 1q5r n ARG 18 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 1q5r s ARG 19 N -0.14 3.94 -0.20 5.56 6.06 -1.26 -1.94 118.95 130.97 1q5r s ARG 19 Ca 0.00 0.63 -0.02 0.00 -2.50 0.00 0.00 55.73 53.83 1q5r s ARG 19 Cb 0.00 -3.74 -0.00 0.00 0.06 0.00 0.00 34.95 31.26 1q5r s ARG 19 CO 0.00 -0.75 -0.08 0.00 -2.50 0.00 0.00 175.30 171.97 1q5r s ALA 20 N 3.12 2.71 0.09 6.12 0.00 -0.24 -4.40 121.76 129.15 1q5r s ALA 20 Ca 0.35 -1.13 0.07 0.00 0.00 0.00 0.00 51.96 51.25 1q5r s ALA 20 Cb -0.14 -1.54 -0.04 0.00 0.00 0.00 0.00 23.12 21.40 1q5r s ALA 20 CO 0.14 -0.31 -0.14 -0.08 0.00 0.00 0.00 175.76 175.37 1q5r s THR 21 N 1.27 3.11 -0.33 0.00 -1.32 -1.22 0.12 115.64 117.28 1q5r s THR 21 Ca 0.03 -1.31 -0.02 0.00 -1.21 0.00 0.00 61.69 59.19 1q5r s THR 21 Cb -0.14 -2.42 0.11 0.00 -1.51 0.00 0.00 72.50 68.54 1q5r s THR 21 CO -0.04 0.16 0.15 -1.58 -2.21 0.00 0.00 174.62 171.11 1q5r s GLN 22 N -2.02 0.52 3.89 7.08 0.74 0.22 0.02 119.66 130.12 1q5r s GLN 22 Ca 0.19 -1.02 0.00 0.00 0.05 0.00 0.00 55.36 54.58 1q5r s GLN 22 Cb -0.11 -1.52 0.00 0.00 1.10 0.00 0.00 33.01 32.48 1q5r s GLN 22 CO 0.11 -1.07 0.00 0.41 -0.55 0.00 0.00 175.29 174.18 1q5r n GLY 23 N 4.67 0.51 0.81 2.59 0.00 -1.26 -2.76 105.19 109.74 1q5r n GLY 23 Ca 0.01 -0.96 0.12 0.00 0.00 0.00 0.00 46.02 45.19 1q5r n GLY 23 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1q5r n ASN 24 N 4.44 2.66 -4.85 1.61 6.94 -1.26 -4.95 115.26 119.86 1q5r n ASN 24 Ca 0.00 -1.84 -0.33 0.00 -0.02 0.00 0.00 54.58 52.39 1q5r n ASN 24 Cb 0.00 0.13 -0.06 0.00 -2.36 0.00 0.00 39.78 37.49 1q5r n ASN 24 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1q5r s LEU 25 N -2.13 4.09 -0.23 -4.53 1.43 -1.11 -5.03 118.68 111.16 1q5r s LEU 25 Ca 0.26 1.29 -0.19 0.00 -1.03 0.00 0.00 54.13 54.46 1q5r s LEU 25 Cb 0.20 -4.04 -0.03 0.00 0.03 0.00 0.00 46.19 42.35 1q5r s LEU 25 CO 0.38 -0.18 0.56 -0.63 0.23 0.00 0.00 176.35 176.71 1q5r s ILE 26 N -1.94 5.05 -0.15 -0.59 1.01 -1.26 -0.61 121.20 122.71 1q5r s ILE 26 Ca 0.53 1.02 0.09 0.00 0.00 0.00 0.00 60.65 62.29 1q5r s ILE 26 Cb -0.11 -3.88 -0.23 0.00 0.01 0.00 0.00 42.46 38.25 1q5r s ILE 26 CO 0.18 0.11 0.25 0.00 0.00 0.00 0.00 174.94 175.48 1q5r n ALA 27 N 5.25 1.38 -3.32 9.38 0.00 0.33 -4.90 120.51 128.62 1q5r n ALA 27 Ca -0.03 -0.99 -0.15 0.00 0.00 0.00 0.00 53.44 52.28 1q5r n ALA 27 Cb 0.50 -0.46 -0.08 0.00 0.00 0.00 0.00 19.45 19.40 1q5r n ALA 27 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1q5r s SER 28 N -6.13 -0.33 -0.03 0.00 0.15 -0.80 -4.98 113.70 101.57 1q5r s SER 28 Ca -0.15 0.28 0.04 0.00 0.70 0.00 0.00 55.95 56.82 1q5r s SER 28 Cb 0.07 0.39 0.06 0.00 -1.71 0.00 0.00 66.02 64.83 1q5r s SER 28 CO 0.78 -0.49 0.93 -1.14 1.20 0.00 0.00 173.24 174.51 1q5r n ARG 29 N 1.17 1.75 -2.61 5.44 0.63 -1.25 -1.08 116.66 120.72 1q5r n ARG 29 Ca -0.21 -1.47 -0.03 0.00 -0.92 0.00 0.00 57.85 55.22 1q5r n ARG 29 Cb 0.56 -0.96 0.05 0.00 0.45 0.00 0.00 32.46 32.56 1q5r n ARG 29 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 1q5r n ASP 30 N -0.55 1.96 -4.70 6.15 3.85 -1.10 -4.68 116.55 117.49 1q5r n ASP 30 Ca 0.03 -2.26 -0.42 0.00 -0.71 0.00 0.00 54.79 51.43 1q5r n ASP 30 Cb 0.42 -0.45 -0.03 0.00 -1.35 0.00 0.00 41.12 39.72 1q5r n ASP 30 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 1q5r s VAL 31 N -3.63 4.40 -0.50 2.12 1.01 -0.82 -4.99 120.40 118.00 1q5r s VAL 31 Ca 0.31 1.71 -0.20 0.00 0.00 0.00 0.00 61.98 63.80 1q5r s VAL 31 Cb 0.34 -4.10 0.05 0.00 0.00 0.00 0.00 36.38 32.67 1q5r s VAL 31 CO -0.04 0.05 0.66 -0.70 0.00 0.00 0.00 175.10 175.07 1q5r s GLU 32 N 1.74 3.17 0.00 2.72 2.12 -1.26 -4.27 118.70 122.92 1q5r s GLU 32 Ca 0.55 -0.73 0.23 0.00 0.36 0.00 0.00 54.97 55.38 1q5r s GLU 32 Cb -0.24 -4.07 0.15 0.00 0.26 0.00 0.00 34.13 30.23 1q5r s GLU 32 CO 0.24 -1.21 1.16 0.00 -0.54 0.00 0.00 175.26 174.91 1q5r n ALA 33 N 6.32 4.14 -2.86 6.30 0.00 -1.26 -4.88 120.51 128.27 1q5r n ALA 33 Ca -0.05 -0.47 -0.34 0.00 0.00 0.00 0.00 53.44 52.58 1q5r n ALA 33 Cb 0.46 -0.95 -0.12 0.00 0.00 0.00 0.00 19.45 18.85 1q5r n ALA 33 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1q5r s VAL 34 N -2.99 3.96 0.07 0.00 -7.23 -1.26 -3.21 120.40 109.75 1q5r s VAL 34 Ca 0.10 -0.35 0.06 0.00 -1.81 0.00 0.00 61.98 59.98 1q5r s VAL 34 Cb 0.17 -2.71 -0.03 0.00 0.56 0.00 0.00 36.38 34.37 1q5r s VAL 34 CO 0.78 0.52 -0.16 -0.31 -0.31 0.00 0.00 175.10 175.62 1q5r s TYR 35 N 0.03 1.42 -0.43 2.82 1.51 -0.69 -4.99 117.35 117.01 1q5r s TYR 35 Ca 0.01 -0.43 -0.23 0.00 -1.01 0.00 0.00 57.07 55.41 1q5r s TYR 35 Cb -0.13 -0.80 0.02 0.00 -0.11 0.00 0.00 41.96 40.94 1q5r s TYR 35 CO 0.03 0.10 0.80 0.08 -1.11 0.00 0.00 175.55 175.44 1q5r s VAL 36 N -1.15 4.65 -0.03 0.71 1.01 -1.26 -1.51 120.40 122.81 1q5r s VAL 36 Ca 0.01 0.55 0.12 0.00 0.00 0.00 0.00 61.98 62.66 1q5r s VAL 36 Cb -0.10 -4.31 -0.10 0.00 0.00 0.00 0.00 36.38 31.87 1q5r s VAL 36 CO 0.03 -0.67 1.23 0.71 0.00 0.00 0.00 175.10 176.40 1q5r h THR 37 N 5.94 1.18 -1.52 3.92 1.35 -1.48 -3.48 112.91 118.82 1q5r h THR 37 Ca -0.25 -2.75 0.14 0.00 -0.55 0.00 0.00 66.41 63.01 1q5r h THR 37 Cb 1.09 2.56 -0.22 0.00 -1.73 0.00 0.00 68.15 69.84 1q5r h THR 37 CO 0.96 0.67 0.67 -0.62 -0.25 0.00 0.00 175.52 176.94 1q5r s ASP 38 N -6.45 -0.27 0.04 5.36 2.15 -0.66 -4.64 116.67 112.21 1q5r s ASP 38 Ca 0.01 0.22 0.00 0.00 0.43 0.00 0.00 52.55 53.21 1q5r s ASP 38 Cb 0.09 0.23 0.10 0.00 -0.30 0.00 0.00 42.92 43.04 1q5r s ASP 38 CO 0.79 -0.29 0.22 1.21 -0.17 0.00 0.00 175.17 176.93 1q5r n GLU 39 N 0.46 -0.01 -2.28 4.34 4.07 -1.26 -0.55 120.64 125.40 1q5r n GLU 39 Ca -0.06 0.21 -0.23 0.00 -0.06 0.00 0.00 57.16 57.02 1q5r n GLU 39 Cb 0.59 -0.34 0.01 0.00 -0.06 0.00 0.00 31.44 31.64 1q5r n GLU 39 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 1q5r n TYR 40 N -3.98 2.85 -3.64 4.31 4.02 -1.26 -1.27 117.16 118.19 1q5r n TYR 40 Ca 0.03 -2.60 -0.05 0.00 -0.01 0.00 0.00 57.90 55.27 1q5r n TYR 40 Cb 0.10 -0.23 -0.06 0.00 -0.02 0.00 0.00 39.34 39.13 1q5r n TYR 40 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1q5r s SER 41 N -3.57 -0.19 0.15 7.72 1.04 0.29 -1.70 113.70 117.45 1q5r s SER 41 Ca 0.47 0.33 -0.01 0.00 0.48 0.00 0.00 55.95 57.23 1q5r s SER 41 Cb 0.40 0.33 -0.04 0.00 0.10 0.00 0.00 66.02 66.81 1q5r s SER 41 CO -0.06 -0.09 0.08 0.00 0.98 0.00 0.00 173.24 174.15 1q5r s ALA 42 N -0.17 0.96 -0.04 5.32 0.00 -0.28 -1.19 121.76 126.35 1q5r s ALA 42 Ca 0.06 -1.54 -0.22 0.00 0.00 0.00 0.00 51.96 50.25 1q5r s ALA 42 Cb -0.04 1.03 0.04 0.00 0.00 0.00 0.00 23.12 24.15 1q5r s ALA 42 CO -0.10 -0.52 0.48 0.00 0.00 0.00 0.00 175.76 175.62 1q5r s ALA 43 N -4.08 -1.23 0.15 0.00 0.00 -0.57 -0.88 121.76 115.14 1q5r s ALA 43 Ca 0.29 0.83 0.09 0.00 0.00 0.00 0.00 51.96 53.16 1q5r s ALA 43 Cb 0.07 -0.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 1q5r s ALA 43 CO 0.05 -0.30 -0.15 0.20 0.00 0.00 0.00 175.76 175.55 1q5r s GLY 44 N -1.14 1.71 -0.05 0.00 0.00 -0.31 -1.70 107.32 105.83 1q5r s GLY 44 Ca -0.11 -1.42 0.00 0.00 0.00 0.00 0.00 44.72 43.19 1q5r s GLY 44 CO 0.06 -1.42 -0.02 -0.42 0.00 0.00 0.00 173.10 171.31 1q5r s ILE 45 N -1.40 0.37 0.05 0.90 1.01 -1.20 -0.08 121.20 120.86 1q5r s ILE 45 Ca 0.21 0.02 0.03 0.00 0.00 0.00 0.00 60.65 60.92 1q5r s ILE 45 Cb -0.10 -0.47 -0.04 0.00 0.01 0.00 0.00 42.46 41.87 1q5r s ILE 45 CO 0.12 0.21 -0.01 0.00 0.00 0.00 0.00 174.94 175.26 1q5r s ALA 46 N 1.31 3.25 0.00 9.38 0.00 -0.41 -4.49 121.76 130.80 1q5r s ALA 46 Ca -0.05 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 50.86 1q5r s ALA 46 Cb -0.13 -1.24 0.00 0.00 0.00 0.00 0.00 23.12 21.75 1q5r s ALA 46 CO -0.02 0.67 0.00 0.41 0.00 0.00 0.00 175.76 176.82 1q5r n GLY 47 N 1.00 0.70 3.43 0.00 0.00 -1.26 -0.29 105.19 108.77 1q5r n GLY 47 Ca -0.13 -2.13 -0.50 0.00 0.00 0.00 0.00 46.02 43.26 1q5r n GLY 47 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1q5r n THR 48 N 3.27 0.12 -0.26 2.61 -1.04 -0.91 0.39 114.28 118.45 1q5r n THR 48 Ca 0.00 -0.24 -0.10 0.00 -2.04 0.00 0.00 64.05 61.67 1q5r n THR 48 Cb 0.00 -1.46 -0.06 0.00 -1.82 0.00 0.00 70.33 66.99 1q5r n THR 48 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1q5r h ALA 49 N 12.47 -0.44 -0.35 2.41 0.00 -1.35 0.37 119.26 132.36 1q5r h ALA 49 Ca -0.22 0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.85 1q5r h ALA 49 Cb 1.33 1.11 -0.09 0.00 0.00 0.00 0.00 17.79 20.14 1q5r h ALA 49 CO 1.08 -0.89 -0.44 0.78 0.00 0.00 0.00 179.25 179.77 1q5r h GLY 50 N -0.19 -0.62 0.64 0.00 0.00 -1.88 0.13 103.07 101.15 1q5r h GLY 50 Ca 0.17 0.56 0.04 0.00 0.00 0.00 0.00 47.33 48.10 1q5r h GLY 50 CO -0.76 -0.18 0.05 -2.22 0.00 0.00 0.00 176.54 173.43 1q5r h ILE 51 N -0.36 0.85 -0.30 2.60 1.08 -1.75 -2.62 117.51 117.00 1q5r h ILE 51 Ca 0.12 -0.05 0.07 0.00 -0.39 0.00 0.00 64.86 64.60 1q5r h ILE 51 Cb 0.59 0.67 -0.07 0.00 -3.07 0.00 0.00 36.82 34.95 1q5r h ILE 51 CO -0.54 0.03 -0.17 0.00 -0.69 0.00 0.00 178.15 176.77 1q5r h ALA 52 N 1.23 0.05 0.26 1.87 0.00 0.08 -0.08 119.26 122.66 1q5r h ALA 52 Ca 0.14 0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.17 1q5r h ALA 52 Cb 0.15 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1q5r h ALA 52 CO -0.19 -0.57 -0.41 0.82 0.00 0.00 0.00 179.25 178.90 1q5r h ILE 53 N -0.14 0.17 -0.44 0.00 2.04 -0.77 -1.05 117.51 117.32 1q5r h ILE 53 Ca 0.16 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.10 1q5r h ILE 53 Cb 0.38 0.17 -0.07 0.00 -0.74 0.00 0.00 36.82 36.55 1q5r h ILE 53 CO -0.38 0.00 -0.02 -0.08 0.00 0.00 0.00 178.15 177.66 1q5r h GLU 54 N -0.74 0.09 -0.06 2.37 4.81 -1.20 -2.14 114.58 117.70 1q5r h GLU 54 Ca -0.01 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.25 1q5r h GLU 54 Cb 0.71 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.02 1q5r h GLU 54 CO -0.16 0.06 -0.19 1.25 -0.73 0.00 0.00 179.01 179.24 1q5r h LEU 55 N 0.09 -0.56 -1.04 1.64 5.85 -0.49 -1.61 115.31 119.18 1q5r h LEU 55 Ca 0.22 0.09 0.01 0.00 0.84 0.00 0.00 57.88 59.04 1q5r h LEU 55 Cb 0.32 0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.55 1q5r h LEU 55 CO -0.38 -0.24 0.64 1.62 -0.34 0.00 0.00 178.44 179.73 1q5r h VAL 56 N -0.27 1.25 0.47 1.05 3.04 -0.94 -1.06 116.25 119.78 1q5r h VAL 56 Ca 0.08 -0.46 -0.01 0.00 -1.01 0.00 0.00 66.70 65.29 1q5r h VAL 56 Cb 0.38 -0.17 -0.01 0.00 -2.01 0.00 0.00 31.29 29.47 1q5r h VAL 56 CO -0.22 0.24 -0.37 -0.09 -1.01 0.00 0.00 177.57 176.12 1q5r h ARG 57 N 1.31 -0.80 -0.68 4.17 2.43 -0.96 -0.56 114.38 119.30 1q5r h ARG 57 Ca 0.35 0.05 0.10 0.00 -0.81 0.00 0.00 59.98 59.68 1q5r h ARG 57 Cb -0.14 0.18 -0.08 0.00 -0.42 0.00 0.00 29.97 29.51 1q5r h ARG 57 CO -0.08 -0.53 0.30 1.25 -1.51 0.00 0.00 179.97 179.40 1q5r h LEU 58 N -0.83 0.34 -0.79 3.80 5.85 -1.12 -1.15 115.31 121.42 1q5r h LEU 58 Ca -0.05 0.08 0.07 0.00 0.84 0.00 0.00 57.88 58.82 1q5r h LEU 58 Cb 0.71 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.71 1q5r h LEU 58 CO -0.00 0.18 0.47 0.15 -0.34 0.00 0.00 178.44 178.90 1q5r h PHE 59 N 0.50 0.86 0.82 1.25 3.57 -0.55 0.27 116.94 123.65 1q5r h PHE 59 Ca 0.35 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.84 1q5r h PHE 59 Cb 0.43 -0.27 0.01 0.00 2.79 0.00 0.00 35.95 38.91 1q5r h PHE 59 CO -0.14 0.42 -0.39 0.00 -2.23 0.00 0.00 178.31 175.96 1q5r h ALA 60 N 1.39 -1.09 -0.83 2.41 0.00 0.05 -2.13 119.26 119.05 1q5r h ALA 60 Ca 0.35 -0.24 0.18 0.00 0.00 0.00 0.00 54.91 55.19 1q5r h ALA 60 Cb 0.20 0.42 -0.11 0.00 0.00 0.00 0.00 17.79 18.31 1q5r h ALA 60 CO -0.19 -1.08 0.34 0.28 0.00 0.00 0.00 179.25 178.61 1q5r h VAL 61 N -1.17 0.56 -0.30 0.00 2.07 -0.94 0.01 116.25 116.47 1q5r h VAL 61 Ca -0.11 -0.14 0.07 0.00 0.82 0.00 0.00 66.70 67.33 1q5r h VAL 61 Cb 0.85 0.10 -0.08 0.00 -1.52 0.00 0.00 31.29 30.64 1q5r h VAL 61 CO 0.18 0.08 -0.33 -0.33 0.02 0.00 0.00 177.57 177.20 1q5r h GLU 62 N 0.42 -0.29 0.23 1.57 4.39 -0.12 0.12 114.58 120.91 1q5r h GLU 62 Ca 0.48 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 60.19 1q5r h GLU 62 Cb 0.83 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.55 1q5r h GLU 62 CO -0.47 -0.20 -0.11 -0.07 -1.16 0.00 0.00 179.01 177.00 1q5r h LEU 63 N -0.30 -0.26 -0.59 1.33 3.38 -0.46 -2.64 115.31 115.76 1q5r h LEU 63 Ca 0.14 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.05 1q5r h LEU 63 Cb 0.54 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 1q5r h LEU 63 CO -0.47 -0.09 0.37 -0.08 0.09 0.00 0.00 178.44 178.26 1q5r h GLU 64 N -0.43 0.72 -0.60 1.13 4.81 -0.72 -2.47 114.58 117.02 1q5r h GLU 64 Ca -0.03 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1q5r h GLU 64 Cb 0.33 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.52 1q5r h GLU 64 CO 0.05 0.47 0.37 1.25 -0.73 0.00 0.00 179.01 180.43 1q5r h HIS 65 N 0.74 0.78 -0.96 0.92 2.76 -0.79 -1.00 115.15 117.61 1q5r h HIS 65 Ca 0.23 0.00 0.10 0.00 -2.20 0.00 0.00 60.37 58.50 1q5r h HIS 65 Cb -0.02 -0.26 -0.08 0.00 1.55 0.00 0.00 27.41 28.61 1q5r h HIS 65 CO -0.05 0.53 0.60 -0.92 -1.30 0.00 0.00 177.93 176.79 1q5r h TYR 66 N 0.81 1.09 0.53 5.26 3.20 -1.06 -0.42 116.97 126.38 1q5r h TYR 66 Ca 0.22 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.09 1q5r h TYR 66 Cb -0.04 -0.35 0.01 0.00 1.54 0.00 0.00 36.73 37.89 1q5r h TYR 66 CO -0.02 0.48 -0.25 1.49 -1.64 0.00 0.00 178.16 178.21 1q5r h GLU 67 N 1.00 -0.68 -0.33 1.82 4.81 -1.08 0.15 114.58 120.28 1q5r h GLU 67 Ca 0.45 0.05 0.10 0.00 -0.13 0.00 0.00 59.36 59.82 1q5r h GLU 67 Cb 0.36 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 1q5r h GLU 67 CO -0.23 -0.38 0.44 0.87 -0.73 0.00 0.00 179.01 178.98 1q5r h LYS 68 N -1.04 0.00 0.00 1.92 1.57 -0.83 0.88 116.57 119.08 1q5r h LYS 68 Ca -0.07 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.67 1q5r h LYS 68 Cb 0.62 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 1q5r h LYS 68 CO 0.12 0.00 -0.51 0.82 -0.57 0.00 0.00 179.45 179.31 1q5r h ILE 69 N 0.00 0.21 0.00 1.86 1.08 -0.75 -3.38 117.51 116.53 1q5r h ILE 69 Ca 0.16 -1.23 0.00 0.00 -0.39 0.00 0.00 64.86 63.40 1q5r h ILE 69 Cb 1.04 0.47 0.00 0.00 -3.07 0.00 0.00 36.82 35.26 1q5r h ILE 69 CO -0.00 0.07 0.00 -0.62 -0.69 0.00 0.00 178.15 176.91 1q5r n GLU 70 N -4.62 0.06 -0.86 2.37 -0.58 0.51 -4.89 120.64 112.63 1q5r n GLU 70 Ca -0.10 0.16 0.00 0.00 -0.42 0.00 0.00 57.16 56.80 1q5r n GLU 70 Cb 0.29 -1.58 0.00 0.00 -0.57 0.00 0.00 31.44 29.58 1q5r n GLU 70 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1q5r n GLY 71 N 0.79 0.74 3.15 0.62 0.00 0.30 -4.97 105.19 105.82 1q5r n GLY 71 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 1q5r n GLY 71 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1q5r s VAL 72 N -3.19 0.75 0.61 1.61 1.01 -1.23 -4.99 120.40 114.97 1q5r s VAL 72 Ca 0.00 -1.64 -0.04 0.00 0.00 0.00 0.00 61.98 60.30 1q5r s VAL 72 Cb 0.00 -1.33 0.03 0.00 0.00 0.00 0.00 36.38 35.08 1q5r s VAL 72 CO 0.00 -0.65 0.89 -2.16 0.00 0.00 0.00 175.10 173.18 1q5r s PRO 73 N -2.96 2.54 0.47 2.72 0.04 -1.26 -3.70 135.00 132.84 1q5r s PRO 73 Ca 0.05 -0.35 -0.16 0.00 0.04 0.00 0.00 61.00 60.57 1q5r s PRO 73 Cb -0.01 -2.31 -0.08 0.00 0.04 0.00 0.00 34.50 32.13 1q5r s PRO 73 CO -0.02 -0.88 0.93 -0.51 0.04 0.00 0.00 177.00 176.56 1q5r s LEU 74 N -4.99 3.75 0.79 -3.56 1.43 -1.26 -5.00 118.68 109.83 1q5r s LEU 74 Ca 0.57 1.51 -0.13 0.00 -1.03 0.00 0.00 54.13 55.05 1q5r s LEU 74 Cb -0.11 -4.41 0.07 0.00 0.03 0.00 0.00 46.19 41.77 1q5r s LEU 74 CO 0.43 -0.48 1.16 -0.89 0.23 0.00 0.00 176.35 176.79 1q5r s THR 75 N -2.45 2.52 0.11 5.49 2.01 -1.26 -4.74 115.64 117.32 1q5r s THR 75 Ca 0.58 0.21 -0.22 0.00 0.31 0.00 0.00 61.69 62.57 1q5r s THR 75 Cb -0.10 -2.58 -0.09 0.00 0.01 0.00 0.00 72.50 69.73 1q5r s THR 75 CO 0.26 -0.18 1.72 0.15 -0.69 0.00 0.00 174.62 175.88 1q5r h PHE 76 N -0.91 -0.11 -1.00 4.92 3.57 -1.96 0.12 116.94 121.57 1q5r h PHE 76 Ca -0.45 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.14 1q5r h PHE 76 Cb 1.27 0.06 -0.07 0.00 2.79 0.00 0.00 35.95 39.99 1q5r h PHE 76 CO 0.51 -0.07 0.64 -0.44 -2.23 0.00 0.00 178.31 176.72 1q5r h ASP 77 N -0.05 1.00 -0.38 0.41 5.19 -1.99 0.17 116.42 120.79 1q5r h ASP 77 Ca 0.04 0.02 0.04 0.00 -0.62 0.00 0.00 57.03 56.51 1q5r h ASP 77 Cb 0.11 -0.19 -0.04 0.00 0.18 0.00 0.00 39.33 39.39 1q5r h ASP 77 CO -0.09 0.61 0.16 1.23 -3.12 0.00 0.00 179.24 178.02 1q5r h GLY 78 N 1.12 0.49 0.95 2.75 0.00 -1.55 0.29 103.07 107.13 1q5r h GLY 78 Ca 0.45 -0.10 0.02 0.00 0.00 0.00 0.00 47.33 47.70 1q5r h GLY 78 CO -0.20 0.06 0.56 0.50 0.00 0.00 0.00 176.54 177.46 1q5r h LYS 79 N 0.33 1.10 -0.44 4.80 1.57 0.14 -1.56 116.57 122.50 1q5r h LYS 79 Ca 0.17 -0.07 -0.12 0.00 -1.87 0.00 0.00 60.65 58.76 1q5r h LYS 79 Cb 0.12 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 1q5r h LYS 79 CO -0.15 0.72 -0.19 0.00 -0.57 0.00 0.00 179.45 179.27 1q5r h ALA 80 N 1.33 0.83 0.00 3.86 0.00 0.11 -2.15 119.26 123.25 1q5r h ALA 80 Ca 0.33 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1q5r h ALA 80 Cb -0.08 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1q5r h ALA 80 CO -0.09 0.64 -0.26 -0.97 0.00 0.00 0.00 179.25 178.57 1q5r h ASN 81 N 0.76 0.00 -0.09 0.00 -0.00 0.18 -2.21 115.58 114.21 1q5r h ASN 81 Ca 0.11 0.00 -0.13 0.00 -0.00 0.00 0.00 56.30 56.27 1q5r h ASN 81 Cb 0.72 0.00 0.01 0.00 -0.00 0.00 0.00 38.32 39.05 1q5r h ASN 81 CO 0.06 0.26 -0.46 0.03 -0.00 0.00 0.00 177.43 177.31 1q5r h ARG 82 N 0.00 0.48 -0.96 6.67 2.47 -0.94 -2.69 114.38 119.41 1q5r h ARG 82 Ca -0.00 -0.39 0.08 0.00 -1.26 0.00 0.00 59.98 58.40 1q5r h ARG 82 Cb 0.54 0.08 -0.07 0.00 -1.65 0.00 0.00 29.97 28.87 1q5r h ARG 82 CO 0.03 1.02 0.62 1.25 0.56 0.00 0.00 179.97 183.45 1q5r h LEU 83 N 0.05 0.95 0.72 3.04 6.46 -1.07 -1.56 115.31 123.90 1q5r h LEU 83 Ca -0.03 0.01 -0.03 0.00 -0.12 0.00 0.00 57.88 57.71 1q5r h LEU 83 Cb 1.11 -0.19 -0.00 0.00 -0.73 0.00 0.00 40.66 40.85 1q5r h LEU 83 CO 0.10 0.59 -0.44 0.00 -0.62 0.00 0.00 178.44 178.07 1q5r h ALA 84 N 1.50 -1.12 -0.96 1.25 0.00 -1.37 -0.08 119.26 118.47 1q5r h ALA 84 Ca 0.42 -0.22 0.31 0.00 0.00 0.00 0.00 54.91 55.42 1q5r h ALA 84 Cb 0.25 0.54 -0.17 0.00 0.00 0.00 0.00 17.79 18.41 1q5r h ALA 84 CO -0.18 -1.15 0.28 0.77 0.00 0.00 0.00 179.25 178.98 1q5r h SER 85 N -1.09 -0.02 -0.06 0.00 0.02 -0.98 0.37 113.55 111.79 1q5r h SER 85 Ca -0.09 0.24 -0.03 0.00 -0.84 0.00 0.00 61.79 61.07 1q5r h SER 85 Cb 0.87 0.33 -0.00 0.00 0.14 0.00 0.00 62.40 63.74 1q5r h SER 85 CO 0.10 -0.30 -0.08 0.24 -1.14 0.00 0.00 176.83 175.64 1q5r h MET 86 N 0.10 0.16 -0.34 3.45 2.07 -0.81 -2.79 114.93 116.77 1q5r h MET 86 Ca 0.67 -0.10 0.05 0.00 -2.07 0.00 0.00 59.70 58.25 1q5r h MET 86 Cb 1.52 0.01 -0.05 0.00 -1.87 0.00 0.00 31.60 31.21 1q5r h MET 86 CO -0.77 0.65 0.06 0.28 1.07 0.00 0.00 176.91 178.19 1q5r h VAL 87 N -0.31 0.82 -0.68 -2.22 2.07 0.10 -0.09 116.25 115.94 1q5r h VAL 87 Ca 0.01 -0.06 0.20 0.00 0.82 0.00 0.00 66.70 67.66 1q5r h VAL 87 Cb 0.63 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 1q5r h VAL 87 CO 0.02 0.03 0.58 -0.09 0.02 0.00 0.00 177.57 178.13 1q5r h ARG 88 N 0.18 0.00 0.00 1.57 2.43 -0.35 0.46 114.38 118.66 1q5r h ARG 88 Ca 0.16 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.24 1q5r h ARG 88 Cb 0.18 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 1q5r h ARG 88 CO -0.22 0.00 -0.41 0.78 -1.51 0.00 0.00 179.97 178.61 1q5r h GLY 89 N 0.00 0.00 0.83 2.80 0.00 -0.72 -3.07 103.07 102.91 1q5r h GLY 89 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.65 1q5r h GLY 89 CO -0.00 0.00 -0.08 -2.01 0.00 0.00 0.00 176.54 174.45 1q5r n ASN 90 N -3.31 0.48 -0.37 0.19 5.15 0.16 -3.51 115.26 114.04 1q5r n ASN 90 Ca 0.01 -0.68 0.35 0.00 -0.60 0.00 0.00 54.58 53.66 1q5r n ASN 90 Cb 0.63 -0.07 0.70 0.00 -0.53 0.00 0.00 39.78 40.51 1q5r n ASN 90 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 1q5r h LEU 91 N 0.62 0.11 -0.15 1.20 7.12 -1.43 0.22 115.31 123.00 1q5r h LEU 91 Ca 0.00 0.03 -0.05 0.00 0.13 0.00 0.00 57.88 57.99 1q5r h LEU 91 Cb 0.32 0.01 -0.00 0.00 -0.53 0.00 0.00 40.66 40.46 1q5r h LEU 91 CO 0.00 0.00 -0.09 1.23 -0.13 0.00 0.00 178.44 179.45 1q5r h GLY 92 N 0.09 0.36 2.00 3.75 0.00 -1.85 -2.23 103.07 105.19 1q5r h GLY 92 Ca 0.63 -0.33 -0.04 0.00 0.00 0.00 0.00 47.33 47.59 1q5r h GLY 92 CO -0.10 0.30 -0.18 0.00 0.00 0.00 0.00 176.54 176.56 1q5r h ALA 93 N 0.66 1.10 -0.00 3.60 0.00 -0.97 -2.85 119.26 120.79 1q5r h ALA 93 Ca 0.03 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1q5r h ALA 93 Cb 0.58 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1q5r h ALA 93 CO 0.03 0.22 -0.00 0.00 0.00 0.00 0.00 179.25 179.50 1q5r h ALA 94 N 1.82 0.00 0.00 0.00 0.00 -0.78 0.78 119.26 121.09 1q5r h ALA 94 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1q5r h ALA 94 Cb 0.60 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1q5r h ALA 94 CO 0.02 -0.33 0.00 -1.33 0.00 0.00 0.00 179.25 177.62 1q5r n MET 95 N -4.92 0.01 -0.55 0.00 2.81 -0.86 -1.11 117.12 112.50 1q5r n MET 95 Ca -0.08 0.37 0.08 0.00 -1.81 0.00 0.00 57.70 56.26 1q5r n MET 95 Cb 0.18 -1.53 0.30 0.00 -0.71 0.00 0.00 33.22 31.46 1q5r n MET 95 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1q5r n GLN 96 N -1.56 3.54 -0.47 0.03 6.02 -1.04 -4.94 117.38 118.97 1q5r n GLN 96 Ca 0.02 -2.84 0.00 0.00 -0.01 0.00 0.00 57.00 54.17 1q5r n GLN 96 Cb 0.10 -1.89 0.00 0.00 1.02 0.00 0.00 30.24 29.47 1q5r n GLN 96 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1q5r n GLY 97 N 0.14 0.80 2.31 1.08 0.00 -0.27 -4.94 105.19 104.31 1q5r n GLY 97 Ca 0.23 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.92 1q5r n GLY 97 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1q5r n LEU 98 N 0.00 6.78 -4.80 0.99 4.32 0.27 -4.89 117.00 119.67 1q5r n LEU 98 Ca 0.00 -4.52 -0.32 0.00 -0.02 0.00 0.00 56.01 51.16 1q5r n LEU 98 Cb 0.00 -0.79 0.04 0.00 -1.62 0.00 0.00 43.42 41.06 1q5r n LEU 98 CO 0.00 1.71 0.71 0.00 -1.22 0.00 0.00 177.39 178.60 1q5r s ALA 99 N -3.78 2.61 -0.14 -1.18 0.00 -1.22 -4.15 121.76 113.90 1q5r s ALA 99 Ca 0.59 0.27 -0.13 0.00 0.00 0.00 0.00 51.96 52.69 1q5r s ALA 99 Cb 0.47 -3.22 0.04 0.00 0.00 0.00 0.00 23.12 20.40 1q5r s ALA 99 CO -0.04 -1.17 0.38 0.14 0.00 0.00 0.00 175.76 175.07 1q5r s VAL 100 N -2.75 -0.00 -0.07 0.00 -7.23 -1.26 -2.15 120.40 106.94 1q5r s VAL 100 Ca 0.61 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.79 1q5r s VAL 100 Cb -0.16 -0.54 0.02 0.00 0.56 0.00 0.00 36.38 36.26 1q5r s VAL 100 CO 0.48 0.00 -0.06 -0.69 -0.31 0.00 0.00 175.10 174.52 1q5r s VAL 101 N 0.25 0.74 0.51 1.32 1.01 0.61 -4.90 120.40 119.94 1q5r s VAL 101 Ca -0.00 -0.17 0.01 0.00 0.00 0.00 0.00 61.98 61.81 1q5r s VAL 101 Cb -0.03 -0.77 0.02 0.00 0.00 0.00 0.00 36.38 35.60 1q5r s VAL 101 CO 0.00 0.30 0.74 -2.16 0.00 0.00 0.00 175.10 173.98 1q5r s PRO 102 N 1.34 2.74 -0.15 2.72 0.04 -1.26 -1.29 135.00 139.15 1q5r s PRO 102 Ca -0.03 -0.66 -0.02 0.00 0.04 0.00 0.00 61.00 60.33 1q5r s PRO 102 Cb -0.14 -2.51 0.05 0.00 0.04 0.00 0.00 34.50 31.94 1q5r s PRO 102 CO -0.03 -0.55 0.02 -1.17 0.04 0.00 0.00 177.00 175.31 1q5r s LEU 103 N -4.69 0.98 -0.16 -3.56 0.20 0.89 -3.65 118.68 108.69 1q5r s LEU 103 Ca 0.54 -0.55 -0.05 0.00 0.69 0.00 0.00 54.13 54.76 1q5r s LEU 103 Cb -0.10 -0.56 -0.03 0.00 -0.43 0.00 0.00 46.19 45.07 1q5r s LEU 103 CO 0.38 -0.26 0.02 -0.22 -0.29 0.00 0.00 176.35 175.98 1q5r s LEU 104 N 1.89 3.60 0.10 -0.68 2.96 -0.23 -1.16 118.68 125.15 1q5r s LEU 104 Ca 0.01 0.03 0.06 0.00 -0.22 0.00 0.00 54.13 54.01 1q5r s LEU 104 Cb -0.15 -1.88 -0.03 0.00 0.50 0.00 0.00 46.19 44.62 1q5r s LEU 104 CO -0.07 0.21 -0.15 0.68 -1.32 0.00 0.00 176.35 175.70 1q5r s VAL 105 N 0.13 1.30 -0.00 1.68 -7.23 -0.06 0.10 120.40 116.31 1q5r s VAL 105 Ca 0.02 -1.52 -0.29 0.00 -1.81 0.00 0.00 61.98 58.39 1q5r s VAL 105 Cb -0.13 -1.34 0.10 0.00 0.56 0.00 0.00 36.38 35.57 1q5r s VAL 105 CO 0.01 -0.28 0.90 -0.83 -0.31 0.00 0.00 175.10 174.59 1q5r s GLY 106 N -2.07 -0.45 -0.54 2.32 0.00 -0.90 -1.13 107.32 104.56 1q5r s GLY 106 Ca 0.04 0.98 -0.18 0.00 0.00 0.00 0.00 44.72 45.56 1q5r s GLY 106 CO 0.03 0.32 0.59 -0.47 0.00 0.00 0.00 173.10 173.57 1q5r s TYR 107 N -3.11 3.10 -0.60 1.90 5.04 -0.69 -1.47 117.35 121.53 1q5r s TYR 107 Ca 0.06 -0.88 -0.26 0.00 -2.44 0.00 0.00 57.07 53.54 1q5r s TYR 107 Cb -0.01 -3.68 -0.04 0.00 0.35 0.00 0.00 41.96 38.58 1q5r s TYR 107 CO -0.08 -1.08 2.03 0.34 -1.34 0.00 0.00 175.55 175.42 1q5r s ASP 108 N 3.16 4.99 0.44 4.32 2.15 0.17 -4.82 116.67 127.08 1q5r s ASP 108 Ca 0.10 0.49 0.11 0.00 0.43 0.00 0.00 52.55 53.68 1q5r s ASP 108 Cb -0.24 -2.52 1.00 0.00 -0.30 0.00 0.00 42.92 40.86 1q5r s ASP 108 CO 0.07 -2.58 2.04 -0.07 -0.17 0.00 0.00 175.17 174.47 1q5r h LEU 109 N 17.56 0.35 -3.19 -1.34 4.07 -1.94 -1.65 115.31 129.17 1q5r h LEU 109 Ca -0.23 -0.00 -0.30 0.00 0.08 0.00 0.00 57.88 57.43 1q5r h LEU 109 Cb 1.18 -0.08 -0.16 0.00 1.08 0.00 0.00 40.66 42.68 1q5r h LEU 109 CO 1.20 0.24 0.38 0.47 -1.08 0.00 0.00 178.44 179.64 1q5r n ASP 110 N -4.48 4.31 -4.94 -0.43 8.00 -1.26 -4.92 116.55 112.84 1q5r n ASP 110 Ca 0.05 -2.93 -0.22 0.00 0.71 0.00 0.00 54.79 52.39 1q5r n ASP 110 Cb 0.19 -0.79 -0.03 0.00 -0.02 0.00 0.00 41.12 40.48 1q5r n ASP 110 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1q5r s ALA 111 N -1.82 3.89 -0.01 2.24 0.00 -0.62 -5.06 121.76 120.37 1q5r s ALA 111 Ca 0.31 -1.21 -0.00 0.00 0.00 0.00 0.00 51.96 51.06 1q5r s ALA 111 Cb 0.26 -1.68 -0.00 0.00 0.00 0.00 0.00 23.12 21.70 1q5r s ALA 111 CO 0.04 0.31 -0.01 -0.44 0.00 0.00 0.00 175.76 175.66 1q5r h ASP 112 N 1.44 0.00 -1.32 0.00 3.32 -1.91 -3.43 116.42 114.53 1q5r h ASP 112 Ca -0.51 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.19 1q5r h ASP 112 Cb 1.22 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.76 1q5r h ASP 112 CO 0.63 0.08 1.08 -1.81 -1.72 0.00 0.00 179.24 177.49 1q5r s ASP 113 N -3.50 4.69 0.00 6.45 1.01 -1.26 -4.77 116.67 119.29 1q5r s ASP 113 Ca -0.01 0.36 0.00 0.00 0.71 0.00 0.00 52.55 53.61 1q5r s ASP 113 Cb 0.00 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.40 1q5r s ASP 113 CO 0.01 -2.91 0.93 -0.62 0.21 0.00 0.00 175.17 172.79 1q5r n GLU 114 N 9.00 0.00 -0.01 8.23 -0.58 -1.26 0.12 120.64 136.14 1q5r n GLU 114 Ca 0.34 0.44 -0.02 0.00 -0.42 0.00 0.00 57.16 57.50 1q5r n GLU 114 Cb 0.50 -1.51 -0.12 0.00 -0.57 0.00 0.00 31.44 29.75 1q5r n GLU 114 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1q5r n SER 115 N -1.43 0.52 -1.09 1.62 3.41 -1.26 -4.13 113.62 111.25 1q5r n SER 115 Ca 0.00 0.23 0.08 0.00 -0.26 0.00 0.00 58.87 58.92 1q5r n SER 115 Cb 0.01 0.61 0.27 0.00 -0.26 0.00 0.00 64.21 64.84 1q5r n SER 115 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1q5r n ARG 116 N -2.78 3.28 0.28 4.33 5.12 0.12 -4.49 116.66 122.52 1q5r n ARG 116 Ca -0.15 -2.65 0.19 0.00 -1.93 0.00 0.00 57.85 53.30 1q5r n ARG 116 Cb 0.90 -1.72 0.92 0.00 -1.16 0.00 0.00 32.46 31.40 1q5r n ARG 116 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1q5r h ALA 117 N 2.71 1.00 -2.70 7.54 0.00 -1.20 -3.43 119.26 123.18 1q5r h ALA 117 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.40 1q5r h ALA 117 Cb 1.27 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 1q5r h ALA 117 CO 0.18 0.00 0.43 0.20 0.00 0.00 0.00 179.25 180.06 1q5r s GLY 118 N -4.01 2.98 0.04 0.00 0.00 -1.26 0.44 107.32 105.51 1q5r s GLY 118 Ca -0.02 0.75 0.01 0.00 0.00 0.00 0.00 44.72 45.46 1q5r s GLY 118 CO 0.41 1.48 -0.06 0.50 0.00 0.00 0.00 173.10 175.43 1q5r s ARG 119 N -0.73 0.48 -0.07 2.90 0.52 -0.54 -4.93 118.95 116.58 1q5r s ARG 119 Ca 0.46 -0.77 0.02 0.00 -0.52 0.00 0.00 55.73 54.92 1q5r s ARG 119 Cb -0.28 -0.14 0.02 0.00 0.52 0.00 0.00 34.95 35.07 1q5r s ARG 119 CO 0.35 0.01 -0.11 0.42 0.02 0.00 0.00 175.30 175.99 1q5r s ILE 120 N -1.65 1.07 -0.11 1.52 1.01 -1.26 -2.11 121.20 119.67 1q5r s ILE 120 Ca -0.10 -0.42 0.02 0.00 0.00 0.00 0.00 60.65 60.16 1q5r s ILE 120 Cb -0.08 -1.01 0.01 0.00 0.01 0.00 0.00 42.46 41.39 1q5r s ILE 120 CO -0.01 0.35 -0.16 -0.69 0.00 0.00 0.00 174.94 174.43 1q5r s VAL 121 N 0.90 1.56 0.29 2.92 1.01 0.12 -1.11 120.40 126.08 1q5r s VAL 121 Ca -0.10 -0.68 0.06 0.00 0.00 0.00 0.00 61.98 61.25 1q5r s VAL 121 Cb -0.15 -1.42 -0.02 0.00 0.00 0.00 0.00 36.38 34.79 1q5r s VAL 121 CO 0.01 0.45 0.36 -0.94 0.00 0.00 0.00 175.10 174.98 1q5r s SER 122 N 0.93 5.94 0.22 3.32 1.04 -0.53 -1.07 113.70 123.56 1q5r s SER 122 Ca -0.07 -0.14 0.04 0.00 0.48 0.00 0.00 55.95 56.25 1q5r s SER 122 Cb -0.15 -1.46 -0.05 0.00 0.10 0.00 0.00 66.02 64.46 1q5r s SER 122 CO -0.01 -0.22 -0.02 -0.31 0.98 0.00 0.00 173.24 173.66 1q5r s TYR 123 N -2.11 1.52 0.58 5.02 1.51 -1.24 -1.07 117.35 121.57 1q5r s TYR 123 Ca 0.38 -0.90 0.07 0.00 -1.01 0.00 0.00 57.07 55.62 1q5r s TYR 123 Cb -0.09 -0.87 0.10 0.00 -0.11 0.00 0.00 41.96 41.00 1q5r s TYR 123 CO 0.29 -0.02 0.81 -0.25 -1.11 0.00 0.00 175.55 175.26 1q5r n ASP 124 N -0.39 1.88 -0.00 2.29 10.43 -0.78 -4.90 116.55 125.08 1q5r n ASP 124 Ca -0.06 -2.40 0.10 0.00 2.57 0.00 0.00 54.79 55.00 1q5r n ASP 124 Cb 0.63 -0.45 -0.13 0.00 1.84 0.00 0.00 41.12 43.02 1q5r n ASP 124 CO 0.00 0.00 0.00 1.33 -1.07 0.00 0.00 177.20 177.46 1q5r n VAL 125 N -2.33 0.00 0.99 2.53 0.24 -1.26 -4.03 118.33 114.47 1q5r n VAL 125 Ca 0.16 -0.18 0.11 0.00 -2.04 0.00 0.00 64.34 62.39 1q5r n VAL 125 Cb 0.57 0.66 0.32 0.00 -1.47 0.00 0.00 33.84 33.93 1q5r n VAL 125 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 1q5r n VAL 126 N -1.73 0.24 -0.17 3.34 0.24 -1.26 -4.30 118.33 114.69 1q5r n VAL 126 Ca 0.01 -0.46 0.00 0.00 -2.04 0.00 0.00 64.34 61.85 1q5r n VAL 126 Cb 0.39 0.66 0.00 0.00 -1.47 0.00 0.00 33.84 33.42 1q5r n VAL 126 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1q5r n GLY 127 N 1.26 0.91 3.85 7.63 0.00 -1.26 -4.66 105.19 112.92 1q5r n GLY 127 Ca 0.17 -0.04 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 1q5r n GLY 127 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1q5r s GLY 128 N -2.04 2.03 0.09 -0.02 0.00 -1.26 -4.73 107.32 101.39 1q5r s GLY 128 Ca 0.00 0.06 0.07 0.00 0.00 0.00 0.00 44.72 44.85 1q5r s GLY 128 CO 0.00 0.31 -0.18 1.09 0.00 0.00 0.00 173.10 174.32 1q5r s ARG 129 N -3.99 1.01 -0.00 2.90 1.70 -1.26 -1.87 118.95 117.44 1q5r s ARG 129 Ca 0.56 -1.08 0.01 0.00 -0.47 0.00 0.00 55.73 54.76 1q5r s ARG 129 Cb -0.10 -1.17 -0.00 0.00 -0.57 0.00 0.00 34.95 33.10 1q5r s ARG 129 CO 0.31 0.27 -0.04 0.71 -1.08 0.00 0.00 175.30 175.47 1q5r s TYR 130 N -1.20 0.36 -0.12 5.89 1.51 -0.23 -4.98 117.35 118.58 1q5r s TYR 130 Ca 0.03 -0.10 -0.24 0.00 -1.01 0.00 0.00 57.07 55.75 1q5r s TYR 130 Cb -0.10 -0.23 -0.02 0.00 -0.11 0.00 0.00 41.96 41.50 1q5r s TYR 130 CO 0.03 -0.01 0.77 -1.21 -1.11 0.00 0.00 175.55 174.02 1q5r s GLU 131 N -0.19 4.36 -0.06 -0.62 0.41 -1.26 -1.45 118.70 119.89 1q5r s GLU 131 Ca 0.01 0.96 -0.05 0.00 -0.41 0.00 0.00 54.97 55.47 1q5r s GLU 131 Cb -0.02 -3.52 -0.03 0.00 -1.78 0.00 0.00 34.13 28.78 1q5r s GLU 131 CO -0.00 -0.15 0.22 0.93 -0.49 0.00 0.00 175.26 175.77 1q5r h GLU 132 N 7.09 -0.17 -6.62 1.61 4.39 -1.51 -3.48 114.58 115.89 1q5r h GLU 132 Ca -0.35 0.01 -0.53 0.00 0.34 0.00 0.00 59.36 58.84 1q5r h GLU 132 Cb 1.16 0.04 -0.07 0.00 -0.10 0.00 0.00 28.75 29.78 1q5r h GLU 132 CO 0.79 -0.11 -0.92 2.89 -1.16 0.00 0.00 179.01 180.50 1q5r n ARG 133 N -4.47 -2.34 0.00 2.33 1.85 -1.26 -4.77 116.66 107.99 1q5r n ARG 133 Ca -0.02 0.32 0.00 0.00 -1.00 0.00 0.00 57.85 57.15 1q5r n ARG 133 Cb 0.07 -4.13 0.00 0.00 -1.05 0.00 0.00 32.46 27.34 1q5r n ARG 133 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1q5r n ALA 134 N -4.47 0.33 0.00 2.89 0.00 -1.26 -4.99 120.51 113.02 1q5r n ALA 134 Ca -0.28 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1q5r n ALA 134 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.12 1q5r n ALA 134 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q5r n GLY 135 N -0.00 2.96 3.44 0.00 0.00 -1.26 -4.98 105.19 105.34 1q5r n GLY 135 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1q5r n GLY 135 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1q5r s TYR 136 N -2.09 0.28 0.05 1.61 -0.85 -1.26 -0.02 117.35 115.08 1q5r s TYR 136 Ca 0.00 -0.64 -0.28 0.00 -0.52 0.00 0.00 57.07 55.64 1q5r s TYR 136 Cb 0.00 0.10 0.09 0.00 0.38 0.00 0.00 41.96 42.53 1q5r s TYR 136 CO 0.00 -0.83 0.95 -1.58 -1.52 0.00 0.00 175.55 172.57 1q5r s HIS 137 N -3.96 -0.23 0.23 -3.49 2.46 -0.27 -4.90 115.29 105.12 1q5r s HIS 137 Ca 0.17 0.04 -0.10 0.00 0.47 0.00 0.00 55.06 55.64 1q5r s HIS 137 Cb 0.01 0.58 -0.01 0.00 -0.13 0.00 0.00 32.58 33.03 1q5r s HIS 137 CO 0.02 -0.63 0.38 0.00 -2.47 0.00 0.00 174.74 172.04 1q5r s ALA 138 N -3.12 0.13 -0.03 1.58 0.00 -1.26 -0.38 121.76 118.68 1q5r s ALA 138 Ca 0.09 -1.09 -0.24 0.00 0.00 0.00 0.00 51.96 50.71 1q5r s ALA 138 Cb -0.01 1.14 0.05 0.00 0.00 0.00 0.00 23.12 24.31 1q5r s ALA 138 CO -0.04 -0.78 0.53 0.14 0.00 0.00 0.00 175.76 175.61 1q5r s VAL 139 N -4.05 0.02 0.00 0.00 -7.23 -0.50 -4.93 120.40 103.71 1q5r s VAL 139 Ca 0.26 -0.19 0.00 0.00 -1.81 0.00 0.00 61.98 60.24 1q5r s VAL 139 Cb 0.01 -0.86 0.00 0.00 0.56 0.00 0.00 36.38 36.10 1q5r s VAL 139 CO 0.09 -0.11 0.00 0.61 -0.31 0.00 0.00 175.10 175.39 1q5r n GLY 140 N 1.00 2.16 0.32 2.32 0.00 -1.26 -0.34 105.19 109.38 1q5r n GLY 140 Ca -0.20 -2.01 0.03 0.00 0.00 0.00 0.00 46.02 43.84 1q5r n GLY 140 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1q5r h SER 141 N 0.00 -0.84 0.61 1.61 4.64 -1.85 0.31 113.55 118.03 1q5r h SER 141 Ca 0.00 0.26 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 1q5r h SER 141 Cb 0.00 0.54 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 1q5r h SER 141 CO 0.00 -0.28 0.00 0.61 -0.87 0.00 0.00 176.83 176.29 1q5r n GLY 142 N -1.55 -1.27 0.32 -0.77 0.00 -1.26 -4.12 105.19 96.55 1q5r n GLY 142 Ca 0.12 -0.13 0.18 0.00 0.00 0.00 0.00 46.02 46.20 1q5r n GLY 142 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1q5r h SER 143 N 0.00 0.07 -0.01 1.61 4.64 -0.58 0.12 113.55 119.40 1q5r h SER 143 Ca 0.00 0.22 0.02 0.00 -0.47 0.00 0.00 61.79 61.56 1q5r h SER 143 Cb 0.31 0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 62.65 1q5r h SER 143 CO 0.00 -0.23 -0.11 0.25 -0.87 0.00 0.00 176.83 175.86 1q5r h LEU 144 N 0.16 -0.32 0.20 5.97 7.12 -1.76 -0.12 115.31 126.56 1q5r h LEU 144 Ca 0.65 0.05 -0.01 0.00 0.13 0.00 0.00 57.88 58.70 1q5r h LEU 144 Cb 1.43 0.14 0.00 0.00 -0.53 0.00 0.00 40.66 41.70 1q5r h LEU 144 CO -0.71 -0.16 -0.10 -0.26 -0.13 0.00 0.00 178.44 177.08 1q5r h PHE 145 N -0.19 -0.25 -0.51 1.25 -1.00 -1.30 -2.88 116.94 112.06 1q5r h PHE 145 Ca 0.04 -0.01 0.10 0.00 2.81 0.00 0.00 57.97 60.91 1q5r h PHE 145 Cb 0.24 0.08 -0.10 0.00 3.61 0.00 0.00 35.95 39.78 1q5r h PHE 145 CO -0.18 0.12 -0.31 0.00 -1.61 0.00 0.00 178.31 176.34 1q5r h ALA 146 N -0.02 -0.06 -0.87 2.45 0.00 -0.79 0.73 119.26 120.70 1q5r h ALA 146 Ca -0.03 0.15 0.12 0.00 0.00 0.00 0.00 54.91 55.15 1q5r h ALA 146 Cb 0.48 0.72 -0.08 0.00 0.00 0.00 0.00 17.79 18.91 1q5r h ALA 146 CO 0.04 -0.67 0.49 0.87 0.00 0.00 0.00 179.25 179.98 1q5r h LYS 147 N -0.18 0.75 0.00 0.00 1.57 -1.06 -0.90 116.57 116.74 1q5r h LYS 147 Ca 0.21 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.89 1q5r h LYS 147 Cb 0.54 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 1q5r h LYS 147 CO -0.61 0.49 -0.27 0.77 -0.57 0.00 0.00 179.45 179.26 1q5r h SER 148 N 0.77 0.00 -0.04 0.86 0.02 -0.68 0.03 113.55 114.50 1q5r h SER 148 Ca 0.44 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.32 1q5r h SER 148 Cb 0.49 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.04 1q5r h SER 148 CO -0.29 0.27 -0.23 0.00 -1.14 0.00 0.00 176.83 175.43 1q5r h ALA 149 N 1.73 0.09 -0.52 3.77 0.00 0.07 -3.10 119.26 121.30 1q5r h ALA 149 Ca -0.00 -0.42 0.05 0.00 0.00 0.00 0.00 54.91 54.54 1q5r h ALA 149 Cb 0.51 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1q5r h ALA 149 CO 0.03 0.09 0.35 -0.07 0.00 0.00 0.00 179.25 179.65 1q5r h LEU 150 N -0.32 0.46 -2.13 0.00 -0.00 -0.86 0.22 115.31 112.67 1q5r h LEU 150 Ca -0.02 -0.00 0.08 0.00 -0.00 0.00 0.00 57.88 57.94 1q5r h LEU 150 Cb 0.90 -0.10 -0.01 0.00 -0.00 0.00 0.00 40.66 41.44 1q5r h LEU 150 CO 0.05 0.31 0.29 0.50 -0.00 0.00 0.00 178.44 179.58 1q5r h LYS 151 N 0.53 0.00 0.00 1.13 3.64 -0.92 -1.03 116.57 119.92 1q5r h LYS 151 Ca 0.22 0.00 -0.41 0.00 -1.27 0.00 0.00 60.65 59.19 1q5r h LYS 151 Cb 0.20 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.96 1q5r h LYS 151 CO -0.06 0.00 -2.37 1.63 -2.27 0.00 0.00 179.45 176.38 1q5r n LYS 152 N -3.77 0.52 0.00 1.90 4.76 0.58 -4.67 118.16 117.48 1q5r n LYS 152 Ca 0.04 0.23 0.14 0.00 -2.87 0.00 0.00 58.31 55.84 1q5r n LYS 152 Cb 0.43 -1.37 0.51 0.00 -1.84 0.00 0.00 35.03 32.76 1q5r n LYS 152 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 1q5r n ILE 153 N -4.08 0.00 -3.11 -0.18 -5.35 -0.05 -4.88 119.36 101.71 1q5r n ILE 153 Ca -0.48 -0.14 -0.40 0.00 -0.27 0.00 0.00 62.75 61.46 1q5r n ILE 153 Cb 0.84 0.26 -0.05 0.00 -1.74 0.00 0.00 39.64 38.95 1q5r n ILE 153 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 1q5r s TYR 154 N -2.31 3.46 -0.08 4.28 5.04 -0.40 -4.93 117.35 122.41 1q5r s TYR 154 Ca 0.31 1.04 0.03 0.00 -2.44 0.00 0.00 57.07 56.01 1q5r s TYR 154 Cb 0.20 -2.77 -0.02 0.00 0.35 0.00 0.00 41.96 39.72 1q5r s TYR 154 CO 0.44 -0.04 -0.16 -1.54 -1.34 0.00 0.00 175.55 172.91 1q5r s SER 155 N 0.98 3.79 0.00 4.32 1.04 -1.26 -4.95 113.70 117.62 1q5r s SER 155 Ca 0.32 -0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.42 1q5r s SER 155 Cb -0.16 -1.15 0.00 0.00 0.10 0.00 0.00 66.02 64.81 1q5r s SER 155 CO 0.13 0.25 0.00 -2.65 0.98 0.00 0.00 173.24 171.95 1q5r n PRO 156 N 2.94 2.20 -1.66 4.02 -0.02 -1.26 -4.54 135.00 136.68 1q5r n PRO 156 Ca -0.18 0.00 -0.59 0.00 -2.02 0.00 0.00 63.50 60.72 1q5r n PRO 156 Cb 0.52 0.00 -0.08 0.00 -0.02 0.00 0.00 33.50 33.92 1q5r n PRO 156 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1q5r n ASP 157 N 0.00 2.06 -3.05 2.55 9.92 -1.26 -4.66 116.55 122.10 1q5r n ASP 157 Ca 0.00 1.00 -0.08 0.00 -0.53 0.00 0.00 54.79 55.18 1q5r n ASP 157 Cb 0.00 -1.09 0.02 0.00 -0.64 0.00 0.00 41.12 39.41 1q5r n ASP 157 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 1q5r s SER 158 N 4.04 -0.02 0.97 -2.24 1.04 -1.26 -4.72 113.70 111.52 1q5r s SER 158 Ca 1.02 -1.05 -0.15 0.00 0.48 0.00 0.00 55.95 56.26 1q5r s SER 158 Cb -1.15 0.80 -0.02 0.00 0.10 0.00 0.00 66.02 65.75 1q5r s SER 158 CO 0.67 -1.58 -0.01 0.47 0.98 0.00 0.00 173.24 173.77 1q5r n ASP 159 N -1.31 -3.26 0.17 7.02 9.92 -1.26 -2.83 116.55 125.00 1q5r n ASP 159 Ca -0.07 0.26 0.06 0.00 -0.53 0.00 0.00 54.79 54.50 1q5r n ASP 159 Cb 0.60 -1.05 0.08 0.00 -0.64 0.00 0.00 41.12 40.10 1q5r n ASP 159 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 1q5r h GLU 160 N -1.42 0.00 0.00 -1.24 4.81 -1.99 -2.76 114.58 111.98 1q5r h GLU 160 Ca -0.44 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 58.63 1q5r h GLU 160 Cb 1.29 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.65 1q5r h GLU 160 CO 0.31 0.32 -1.00 1.49 -0.73 0.00 0.00 179.01 179.39 1q5r h GLU 161 N 0.00 0.00 -0.13 1.92 4.81 -1.98 -2.37 114.58 116.83 1q5r h GLU 161 Ca -0.00 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.11 1q5r h GLU 161 Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.63 1q5r h GLU 161 CO 0.04 0.50 -0.38 1.15 -0.73 0.00 0.00 179.01 179.59 1q5r h THR 162 N 0.00 1.37 -0.32 0.32 2.02 -1.88 -1.77 112.91 112.66 1q5r h THR 162 Ca -0.08 -1.67 -0.14 0.00 0.77 0.00 0.00 66.41 65.28 1q5r h THR 162 Cb 1.56 2.09 -0.00 0.00 -1.74 0.00 0.00 68.15 70.05 1q5r h THR 162 CO 0.07 0.50 -0.35 0.00 0.37 0.00 0.00 175.52 176.11 1q5r h ALA 163 N 0.52 0.47 0.00 6.16 0.00 -1.59 -0.85 119.26 123.97 1q5r h ALA 163 Ca -0.01 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 1q5r h ALA 163 Cb 1.00 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1q5r h ALA 163 CO 0.08 0.53 -0.19 1.25 0.00 0.00 0.00 179.25 180.93 1q5r h LEU 164 N 0.56 0.00 -0.07 0.00 5.85 -1.46 -0.53 115.31 119.66 1q5r h LEU 164 Ca 0.05 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.62 1q5r h LEU 164 Cb 0.93 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.97 1q5r h LEU 164 CO 0.08 0.19 -0.53 -0.09 -0.34 0.00 0.00 178.44 177.75 1q5r h ARG 165 N 0.00 0.47 -0.62 1.25 2.43 -1.08 -2.22 114.38 114.62 1q5r h ARG 165 Ca -0.00 -0.42 0.02 0.00 -0.81 0.00 0.00 59.98 58.77 1q5r h ARG 165 Cb 0.34 0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.95 1q5r h ARG 165 CO 0.02 1.06 0.39 0.00 -1.51 0.00 0.00 179.97 179.94 1q5r h ALA 166 N 0.42 0.80 0.83 2.80 0.00 -0.66 -1.07 119.26 122.37 1q5r h ALA 166 Ca -0.05 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1q5r h ALA 166 Cb 1.20 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.79 1q5r h ALA 166 CO 0.11 0.15 -0.40 0.00 0.00 0.00 0.00 179.25 179.11 1q5r h ALA 167 N 1.26 -1.27 -0.59 0.00 0.00 -1.11 0.26 119.26 117.81 1q5r h ALA 167 Ca 0.24 -0.24 0.17 0.00 0.00 0.00 0.00 54.91 55.08 1q5r h ALA 167 Cb -0.01 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1q5r h ALA 167 CO -0.09 -1.19 0.54 0.82 0.00 0.00 0.00 179.25 179.33 1q5r h ILE 168 N -1.13 0.43 -0.03 0.00 2.04 -1.31 0.13 117.51 117.63 1q5r h ILE 168 Ca -0.11 0.00 -0.18 0.00 1.00 0.00 0.00 64.86 65.57 1q5r h ILE 168 Cb 0.85 0.59 0.01 0.00 -0.74 0.00 0.00 36.82 37.53 1q5r h ILE 168 CO 0.19 0.00 -0.66 -0.08 0.00 0.00 0.00 178.15 177.59 1q5r h GLU 169 N 0.00 0.51 -0.27 2.37 4.81 -0.60 -3.02 114.58 118.39 1q5r h GLU 169 Ca 0.28 -0.50 -0.02 0.00 -0.13 0.00 0.00 59.36 58.99 1q5r h GLU 169 Cb 1.35 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.85 1q5r h GLU 169 CO -0.00 1.14 0.09 0.66 -0.73 0.00 0.00 179.01 180.17 1q5r h SER 170 N 0.07 0.33 0.53 1.04 4.64 0.13 0.15 113.55 120.44 1q5r h SER 170 Ca -0.07 -0.03 -0.07 0.00 -0.47 0.00 0.00 61.79 61.15 1q5r h SER 170 Cb 1.35 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 63.34 1q5r h SER 170 CO 0.13 0.32 -0.32 -0.07 -0.87 0.00 0.00 176.83 176.02 1q5r h LEU 171 N 0.37 0.00 -0.22 5.97 3.38 -1.33 0.34 115.31 123.82 1q5r h LEU 171 Ca 0.09 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.98 1q5r h LEU 171 Cb 0.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 1q5r h LEU 171 CO -0.01 0.32 -0.18 1.88 0.09 0.00 0.00 178.44 180.54 1q5r h TYR 172 N 0.00 0.60 -0.20 1.13 -1.99 -0.61 -2.06 116.97 113.83 1q5r h TYR 172 Ca -0.00 -0.17 -0.10 0.00 2.00 0.00 0.00 58.73 60.45 1q5r h TYR 172 Cb 0.67 -0.13 -0.01 0.00 2.00 0.00 0.00 36.73 39.26 1q5r h TYR 172 CO 0.00 0.83 -0.32 -0.44 -0.00 0.00 0.00 178.16 178.23 1q5r h ASP 173 N 0.20 0.42 -0.28 3.88 3.32 -0.96 -2.73 116.42 120.27 1q5r h ASP 173 Ca 0.04 -0.16 -0.05 0.00 0.02 0.00 0.00 57.03 56.88 1q5r h ASP 173 Cb 0.71 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.14 1q5r h ASP 173 CO 0.05 0.72 -0.04 0.00 -1.72 0.00 0.00 179.24 178.24 1q5r h ALA 174 N 1.31 0.38 -0.18 3.45 0.00 -0.89 -2.58 119.26 120.74 1q5r h ALA 174 Ca 0.05 -0.26 0.05 0.00 0.00 0.00 0.00 54.91 54.75 1q5r h ALA 174 Cb 0.73 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1q5r h ALA 174 CO 0.06 0.16 0.20 0.00 0.00 0.00 0.00 179.25 179.67 1q5r h ALA 175 N 0.79 1.80 -0.46 0.00 0.00 -1.18 0.18 119.26 120.39 1q5r h ALA 175 Ca 0.07 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1q5r h ALA 175 Cb 0.50 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1q5r h ALA 175 CO 0.02 -0.30 0.21 -0.44 0.00 0.00 0.00 179.25 178.74 1q5r h ASP 176 N 0.00 0.62 0.00 0.00 3.32 -1.16 -3.33 116.42 115.87 1q5r h ASP 176 Ca 0.09 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 56.99 1q5r h ASP 176 Cb 0.49 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.88 1q5r h ASP 176 CO -0.00 0.59 -0.78 0.47 -1.72 0.00 0.00 179.24 177.81 1q5r n ASP 177 N -4.62 0.86 -4.20 6.45 8.00 -0.80 -4.93 116.55 117.31 1q5r n ASP 177 Ca 0.01 -0.65 -0.36 0.00 0.71 0.00 0.00 54.79 54.51 1q5r n ASP 177 Cb 0.13 1.11 -0.13 0.00 -0.02 0.00 0.00 41.12 42.21 1q5r n ASP 177 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1q5r s ASP 178 N -2.43 4.94 0.11 -2.24 3.68 -0.01 -4.96 116.67 115.76 1q5r s ASP 178 Ca 0.03 -1.19 0.17 0.00 2.13 0.00 0.00 52.55 53.70 1q5r s ASP 178 Cb 0.09 -1.75 0.75 0.00 -1.45 0.00 0.00 42.92 40.56 1q5r s ASP 178 CO 0.52 -0.26 1.54 -1.54 0.13 0.00 0.00 175.17 175.56 1q5r n SER 179 N 4.68 0.28 -0.23 -0.34 3.41 -1.26 -1.56 113.62 118.60 1q5r n SER 179 Ca -0.13 0.57 0.14 0.00 -0.26 0.00 0.00 58.87 59.19 1q5r n SER 179 Cb 0.44 -0.63 0.59 0.00 -0.26 0.00 0.00 64.21 64.34 1q5r n SER 179 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1q5r n ALA 180 N -1.62 2.76 -2.00 7.33 0.00 -1.26 -4.66 120.51 121.06 1q5r n ALA 180 Ca 0.03 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1q5r n ALA 180 Cb 0.18 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.36 1q5r n ALA 180 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1q5r n THR 181 N -0.58 0.00 -2.85 0.00 -1.04 -0.60 -4.80 114.28 104.41 1q5r n THR 181 Ca 0.17 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 62.10 1q5r n THR 181 Cb 0.29 -0.20 0.04 0.00 -1.82 0.00 0.00 70.33 68.63 1q5r n THR 181 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1q5r n GLY 182 N 4.07 -0.85 0.00 3.41 0.00 -1.22 -4.59 105.19 106.01 1q5r n GLY 182 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.41 1q5r n GLY 182 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q5r n GLY 183 N -1.40 -3.02 3.66 -0.02 0.00 -1.25 -4.79 105.19 98.38 1q5r n GLY 183 Ca -0.04 -0.34 -0.48 0.00 0.00 0.00 0.00 46.02 45.17 1q5r n GLY 183 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1q5r n PRO 184 N 0.00 1.96 -3.71 1.61 -0.02 -1.26 -4.83 135.00 128.75 1q5r n PRO 184 Ca 0.00 0.71 -0.29 0.00 -2.02 0.00 0.00 63.50 61.90 1q5r n PRO 184 Cb 0.00 -2.47 -0.15 0.00 -0.02 0.00 0.00 33.50 30.86 1q5r n PRO 184 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1q5r s ASP 185 N 1.42 3.81 0.34 2.55 -1.08 -0.75 -4.99 116.67 117.96 1q5r s ASP 185 Ca 0.82 -1.47 0.03 0.00 -0.52 0.00 0.00 52.55 51.42 1q5r s ASP 185 Cb -0.74 -0.77 0.62 0.00 -1.46 0.00 0.00 42.92 40.57 1q5r s ASP 185 CO 0.42 -0.40 1.95 -0.07 0.52 0.00 0.00 175.17 177.59 1q5r h LEU 186 N 8.15 0.63 -0.28 -1.34 3.38 -1.94 0.40 115.31 124.31 1q5r h LEU 186 Ca -0.15 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.72 1q5r h LEU 186 Cb 1.03 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 1q5r h LEU 186 CO 0.45 0.55 0.03 0.74 0.09 0.00 0.00 178.44 180.30 1q5r h THR 187 N 0.70 1.24 0.00 0.22 2.02 -1.97 -3.20 112.91 111.92 1q5r h THR 187 Ca 0.17 -0.83 0.00 0.00 0.77 0.00 0.00 66.41 66.52 1q5r h THR 187 Cb 0.10 1.24 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 1q5r h THR 187 CO -0.02 0.27 -0.79 0.03 0.37 0.00 0.00 175.52 175.37 1q5r h ARG 188 N 0.29 0.00 -2.81 6.66 3.08 -1.99 -3.48 114.38 116.12 1q5r h ARG 188 Ca 0.08 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.05 1q5r h ARG 188 Cb 0.36 0.00 0.04 0.00 0.08 0.00 0.00 29.97 30.45 1q5r h ARG 188 CO 0.01 0.00 -0.19 0.41 -1.07 0.00 0.00 179.97 179.13 1q5r n GLY 189 N 1.28 0.28 3.30 0.04 0.00 0.09 -5.04 105.19 105.16 1q5r n GLY 189 Ca 0.02 -0.35 -0.37 0.00 0.00 0.00 0.00 46.02 45.32 1q5r n GLY 189 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1q5r s ILE 190 N -3.09 3.75 0.09 -0.61 -1.09 -0.98 -5.00 121.20 114.27 1q5r s ILE 190 Ca 0.02 -0.86 0.09 0.00 -2.23 0.00 0.00 60.65 57.66 1q5r s ILE 190 Cb -0.01 -2.98 -0.03 0.00 -1.58 0.00 0.00 42.46 37.86 1q5r s ILE 190 CO 0.18 0.03 -0.22 -0.31 -1.23 0.00 0.00 174.94 173.38 1q5r s TYR 191 N 1.45 1.93 0.72 3.97 1.51 -1.26 -1.81 117.35 123.85 1q5r s TYR 191 Ca 0.01 -0.40 -0.16 0.00 -1.01 0.00 0.00 57.07 55.51 1q5r s TYR 191 Cb -0.18 -1.09 -0.03 0.00 -0.11 0.00 0.00 41.96 40.56 1q5r s TYR 191 CO 0.02 0.19 0.65 -2.30 -1.11 0.00 0.00 175.55 173.00 1q5r n PRO 192 N 1.30 0.36 -3.96 -1.71 -0.02 -1.26 -4.85 135.00 124.86 1q5r n PRO 192 Ca -0.18 0.17 -0.34 0.00 -2.02 0.00 0.00 63.50 61.12 1q5r n PRO 192 Cb 0.53 -1.94 -0.06 0.00 -0.02 0.00 0.00 33.50 32.02 1q5r n PRO 192 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1q5r s THR 193 N -1.88 5.24 0.14 3.45 2.01 -0.18 -4.91 115.64 119.50 1q5r s THR 193 Ca 0.68 -0.13 -0.03 0.00 0.31 0.00 0.00 61.69 62.52 1q5r s THR 193 Cb -0.35 -3.39 -0.03 0.00 0.01 0.00 0.00 72.50 68.74 1q5r s THR 193 CO 0.56 0.41 0.11 0.00 -0.69 0.00 0.00 174.62 175.02 1q5r s ALA 194 N -1.20 0.61 -0.21 7.40 0.00 -1.26 0.24 121.76 127.34 1q5r s ALA 194 Ca 0.23 -1.30 -0.14 0.00 0.00 0.00 0.00 51.96 50.75 1q5r s ALA 194 Cb -0.12 0.84 0.06 0.00 0.00 0.00 0.00 23.12 23.90 1q5r s ALA 194 CO 0.13 -0.53 0.52 0.08 0.00 0.00 0.00 175.76 175.97 1q5r s VAL 195 N -4.02 -0.01 0.09 0.00 1.01 0.21 -2.14 120.40 115.54 1q5r s VAL 195 Ca 0.21 0.04 0.09 0.00 0.00 0.00 0.00 61.98 62.32 1q5r s VAL 195 Cb 0.06 -0.75 -0.04 0.00 0.00 0.00 0.00 36.38 35.66 1q5r s VAL 195 CO 0.01 0.02 -0.20 0.42 0.00 0.00 0.00 175.10 175.34 1q5r s THR 196 N 1.12 2.68 -0.07 3.92 -4.23 -0.55 -0.52 115.64 117.98 1q5r s THR 196 Ca -0.07 -1.42 0.00 0.00 -1.18 0.00 0.00 61.69 59.02 1q5r s THR 196 Cb -0.06 -2.18 0.02 0.00 1.34 0.00 0.00 72.50 71.63 1q5r s THR 196 CO -0.10 0.20 -0.05 -0.63 -0.54 0.00 0.00 174.62 173.50 1q5r s ILE 197 N -1.03 0.70 0.30 2.99 1.01 -0.03 -0.47 121.20 124.68 1q5r s ILE 197 Ca 0.16 -0.15 0.05 0.00 0.00 0.00 0.00 60.65 60.71 1q5r s ILE 197 Cb -0.10 -0.74 -0.02 0.00 0.01 0.00 0.00 42.46 41.61 1q5r s ILE 197 CO 0.07 0.29 0.30 1.07 0.00 0.00 0.00 174.94 176.67 1q5r n THR 198 N 4.54 0.00 0.03 2.92 5.66 -0.62 -1.59 114.28 125.21 1q5r n THR 198 Ca -0.17 -2.03 0.21 0.00 -3.05 0.00 0.00 64.05 59.02 1q5r n THR 198 Cb 0.51 1.06 0.57 0.00 -1.55 0.00 0.00 70.33 70.91 1q5r n THR 198 CO 0.00 0.00 0.00 -0.61 -3.05 0.00 0.00 175.07 171.41 1q5r h GLN 199 N 0.00 0.00 0.00 1.09 4.15 -1.94 0.73 115.11 119.13 1q5r h GLN 199 Ca -0.22 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.15 1q5r h GLN 199 Cb 1.07 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.75 1q5r h GLN 199 CO 0.31 0.00 -0.24 0.00 -1.93 0.00 0.00 178.83 176.97 1q5r h ALA 200 N 0.96 0.87 0.00 3.38 0.00 -1.97 -3.50 119.26 119.00 1q5r h ALA 200 Ca 0.26 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1q5r h ALA 200 Cb 1.82 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.57 1q5r h ALA 200 CO -0.00 0.30 0.00 0.41 0.00 0.00 0.00 179.25 179.96 1q5r n GLY 201 N 0.94 0.46 3.77 0.00 0.00 0.25 -5.04 105.19 105.57 1q5r n GLY 201 Ca 0.02 -2.20 -0.36 0.00 0.00 0.00 0.00 46.02 43.48 1q5r n GLY 201 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q5r s ALA 202 N -1.75 3.69 0.00 4.61 0.00 -0.40 -1.59 121.76 126.34 1q5r s ALA 202 Ca 0.00 -0.56 0.01 0.00 0.00 0.00 0.00 51.96 51.41 1q5r s ALA 202 Cb 0.00 -2.22 -0.00 0.00 0.00 0.00 0.00 23.12 20.89 1q5r s ALA 202 CO 0.00 0.25 -0.03 0.08 0.00 0.00 0.00 175.76 176.07 1q5r s VAL 203 N 0.00 0.21 -0.04 0.00 1.01 0.38 -4.99 120.40 116.97 1q5r s VAL 203 Ca 0.14 -0.21 -0.30 0.00 0.00 0.00 0.00 61.98 61.61 1q5r s VAL 203 Cb -0.12 -0.20 -0.04 0.00 0.00 0.00 0.00 36.38 36.02 1q5r s VAL 203 CO 0.02 -0.00 1.23 -1.00 0.00 0.00 0.00 175.10 175.35 1q5r s HIS 204 N -0.21 3.15 0.40 5.22 3.76 -1.26 -1.48 115.29 124.86 1q5r s HIS 204 Ca -0.01 1.16 -0.25 0.00 -0.15 0.00 0.00 55.06 55.81 1q5r s HIS 204 Cb -0.02 -3.46 -0.08 0.00 1.11 0.00 0.00 32.58 30.13 1q5r s HIS 204 CO -0.00 -1.48 1.15 0.08 -0.85 0.00 0.00 174.74 173.64 1q5r s VAL 205 N 2.20 3.25 0.43 -0.90 1.01 -0.91 -4.97 120.40 120.51 1q5r s VAL 205 Ca 0.57 1.03 -0.21 0.00 0.00 0.00 0.00 61.98 63.38 1q5r s VAL 205 Cb -0.26 -3.57 -0.11 0.00 0.00 0.00 0.00 36.38 32.44 1q5r s VAL 205 CO 0.23 0.08 0.95 -0.94 0.00 0.00 0.00 175.10 175.42 1q5r s SER 206 N -1.20 6.92 0.47 3.32 1.04 -1.26 -4.68 113.70 118.31 1q5r s SER 206 Ca 0.57 1.68 0.18 0.00 0.48 0.00 0.00 55.95 58.86 1q5r s SER 206 Cb -0.29 -2.54 1.19 0.00 0.10 0.00 0.00 66.02 64.48 1q5r s SER 206 CO 0.37 -0.37 1.99 -0.08 0.98 0.00 0.00 173.24 176.12 1q5r h GLU 207 N 1.85 0.22 0.85 4.02 4.81 -1.94 -1.73 114.58 122.66 1q5r h GLU 207 Ca -0.49 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 58.69 1q5r h GLU 207 Cb 1.18 -0.05 0.01 0.00 0.63 0.00 0.00 28.75 30.52 1q5r h GLU 207 CO 0.61 0.15 -0.41 0.93 -0.73 0.00 0.00 179.01 179.56 1q5r h GLU 208 N 0.23 -1.10 -0.92 1.92 5.08 -1.99 0.10 114.58 117.90 1q5r h GLU 208 Ca 0.26 0.07 0.25 0.00 -1.00 0.00 0.00 59.36 58.94 1q5r h GLU 208 Cb 0.71 0.25 -0.05 0.00 0.50 0.00 0.00 28.75 30.16 1q5r h GLU 208 CO -0.05 -0.72 0.64 1.15 -1.00 0.00 0.00 179.01 179.03 1q5r h THR 209 N -1.20 0.58 0.15 1.13 2.02 -1.72 0.11 112.91 113.98 1q5r h THR 209 Ca -0.12 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 67.00 1q5r h THR 209 Cb 0.88 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 1q5r h THR 209 CO 0.19 0.03 -0.07 0.74 0.37 0.00 0.00 175.52 176.78 1q5r h THR 210 N 0.15 0.00 -0.94 3.16 2.02 -1.08 -2.60 112.91 113.62 1q5r h THR 210 Ca 0.46 -0.62 0.12 0.00 0.77 0.00 0.00 66.41 67.15 1q5r h THR 210 Cb 1.56 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 67.89 1q5r h THR 210 CO -0.08 0.00 0.60 0.77 0.37 0.00 0.00 175.52 177.18 1q5r h SER 211 N -0.82 0.81 0.79 4.18 4.64 -0.43 0.20 113.55 122.92 1q5r h SER 211 Ca -0.02 0.04 -0.04 0.00 -0.47 0.00 0.00 61.79 61.30 1q5r h SER 211 Cb 0.15 -0.12 0.01 0.00 -0.31 0.00 0.00 62.40 62.13 1q5r h SER 211 CO 0.03 0.44 -0.38 -0.08 -0.87 0.00 0.00 176.83 175.97 1q5r h GLU 212 N 0.88 -1.02 -0.61 4.77 4.22 -0.92 -1.40 114.58 120.51 1q5r h GLU 212 Ca 0.46 0.07 0.18 0.00 0.08 0.00 0.00 59.36 60.15 1q5r h GLU 212 Cb 0.54 0.23 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 1q5r h GLU 212 CO -0.23 -0.66 0.47 -0.07 -2.18 0.00 0.00 179.01 176.34 1q5r h LEU 213 N -1.21 0.00 0.29 1.64 3.38 -0.99 -1.38 115.31 117.04 1q5r h LEU 213 Ca -0.11 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1q5r h LEU 213 Cb 0.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1q5r h LEU 213 CO 0.18 0.00 -0.14 0.00 0.09 0.00 0.00 178.44 178.57 1q5r h ALA 214 N 1.63 -0.39 -0.76 1.53 0.00 -0.02 -2.41 119.26 118.83 1q5r h ALA 214 Ca 0.29 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1q5r h ALA 214 Cb 1.23 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 19.14 1q5r h ALA 214 CO -0.00 -0.59 0.48 0.00 0.00 0.00 0.00 179.25 179.14 1q5r h ARG 215 N -0.65 1.02 -0.93 0.00 3.08 -0.23 -2.12 114.38 114.55 1q5r h ARG 215 Ca -0.04 -0.08 0.05 0.00 0.07 0.00 0.00 59.98 59.98 1q5r h ARG 215 Cb 0.46 -0.22 -0.06 0.00 0.08 0.00 0.00 29.97 30.23 1q5r h ARG 215 CO 0.07 0.70 0.60 -0.09 -1.07 0.00 0.00 179.97 180.18 1q5r h ARG 216 N 1.04 1.07 -0.61 0.04 2.43 -1.33 -1.88 114.38 115.15 1q5r h ARG 216 Ca 0.28 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.37 1q5r h ARG 216 Cb -0.08 -0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 29.20 1q5r h ARG 216 CO -0.06 0.71 0.34 0.82 -1.51 0.00 0.00 179.97 180.28 1q5r h ILE 217 N 1.11 1.19 -1.63 1.20 2.04 -0.85 -3.39 117.51 117.17 1q5r h ILE 217 Ca 0.39 -0.47 -0.51 0.00 1.00 0.00 0.00 64.86 65.27 1q5r h ILE 217 Cb 0.12 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 36.59 1q5r h ILE 217 CO -0.13 0.20 1.59 0.52 0.00 0.00 0.00 178.15 180.33 1q5r n VAL 218 N -4.58 0.06 -0.15 1.67 0.31 -0.71 -5.13 118.33 109.80 1q5r n VAL 218 Ca 0.04 -0.65 0.00 0.00 -0.01 0.00 0.00 64.34 63.72 1q5r n VAL 218 Cb 0.08 -2.60 0.00 0.00 -0.91 0.00 0.00 33.84 30.41 1q5r n VAL 218 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51