#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b7m s VAL 2 N 0.00 3.38 0.45 3.15 1.01 -1.26 -0.79 120.40 126.34 1b7m s VAL 2 Ca 0.00 -0.97 -0.22 0.00 0.00 0.00 0.00 61.98 60.80 1b7m s VAL 2 Cb 0.00 -2.78 -0.09 0.00 0.00 0.00 0.00 36.38 33.51 1b7m s VAL 2 CO 0.00 0.07 1.04 -0.36 0.00 0.00 0.00 175.10 175.86 1b7m s PHE 3 N 1.39 3.10 0.38 5.22 0.08 0.25 -4.98 117.98 123.41 1b7m s PHE 3 Ca 0.00 1.60 -0.17 0.00 0.12 0.00 0.00 56.93 58.48 1b7m s PHE 3 Cb -0.18 -3.09 -0.10 0.00 -0.57 0.00 0.00 43.02 39.09 1b7m s PHE 3 CO -0.01 -0.75 0.83 -1.21 -0.10 0.00 0.00 175.22 173.98 1b7m s GLU 4 N -2.93 4.07 0.14 0.44 0.41 -1.26 -4.85 118.70 114.72 1b7m s GLU 4 Ca 0.63 0.84 -0.30 0.00 -0.41 0.00 0.00 54.97 55.73 1b7m s GLU 4 Cb -0.19 -2.32 -0.06 0.00 -1.78 0.00 0.00 34.13 29.78 1b7m s GLU 4 CO 0.23 0.06 1.57 -0.09 -0.49 0.00 0.00 175.26 176.53 1b7m h ARG 5 N 2.00 -0.42 0.00 1.61 2.43 -1.96 -1.43 114.38 116.61 1b7m h ARG 5 Ca -0.48 0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 58.66 1b7m h ARG 5 Cb 1.18 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.81 1b7m h ARG 5 CO 0.63 -0.28 -0.28 0.00 -1.51 0.00 0.00 179.97 178.53 1b7m h GLU 7 N 0.00 0.68 -0.54 0.00 4.81 -1.80 -2.06 114.58 115.67 1b7m h GLU 7 Ca -0.00 -0.15 -0.08 0.00 -0.13 0.00 0.00 59.36 59.00 1b7m h GLU 7 Cb 0.71 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.98 1b7m h GLU 7 CO 0.04 0.66 0.01 1.25 -0.73 0.00 0.00 179.01 180.24 1b7m h LEU 8 N 0.57 0.93 -0.66 1.64 5.85 -0.95 -1.93 115.31 120.76 1b7m h LEU 8 Ca 0.14 -0.30 0.01 0.00 0.84 0.00 0.00 57.88 58.58 1b7m h LEU 8 Cb 0.26 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 1b7m h LEU 8 CO -0.00 1.00 0.43 0.00 -0.34 0.00 0.00 178.44 179.53 1b7m h ALA 9 N 0.96 0.85 -0.16 1.25 0.00 -1.02 0.42 119.26 121.56 1b7m h ALA 9 Ca 0.16 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.85 1b7m h ALA 9 Cb 0.52 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1b7m h ALA 9 CO 0.03 0.23 -0.64 0.00 0.00 0.00 0.00 179.25 178.86 1b7m h ARG 10 N 0.86 0.60 -0.31 0.00 3.08 -1.30 -2.49 114.38 114.82 1b7m h ARG 10 Ca 0.25 -0.43 0.00 0.00 0.07 0.00 0.00 59.98 59.87 1b7m h ARG 10 Cb -0.06 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 1b7m h ARG 10 CO -0.07 1.05 0.20 1.15 -1.07 0.00 0.00 179.97 181.22 1b7m h THR 11 N 0.44 1.10 -0.29 2.04 2.02 -0.97 -0.85 112.91 116.39 1b7m h THR 11 Ca -0.01 -0.21 -0.11 0.00 0.77 0.00 0.00 66.41 66.84 1b7m h THR 11 Cb 1.22 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 68.29 1b7m h THR 11 CO 0.12 0.09 -0.30 -0.07 0.37 0.00 0.00 175.52 175.74 1b7m h LEU 12 N 0.41 0.61 -0.43 2.58 3.38 -0.93 -2.78 115.31 118.15 1b7m h LEU 12 Ca 0.11 -0.23 -0.12 0.00 0.09 0.00 0.00 57.88 57.73 1b7m h LEU 12 Cb -0.01 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1b7m h LEU 12 CO -0.02 0.87 -0.19 0.50 0.09 0.00 0.00 178.44 179.69 1b7m h LYS 13 N 0.51 0.88 0.00 1.13 3.64 -1.20 -2.28 116.57 119.25 1b7m h LYS 13 Ca 0.06 -0.38 -0.01 0.00 -1.27 0.00 0.00 60.65 59.06 1b7m h LYS 13 Cb 0.77 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.56 1b7m h LYS 13 CO 0.06 1.03 -0.03 0.00 -2.27 0.00 0.00 179.45 178.24 1b7m h ARG 14 N 0.71 0.00 -0.26 1.90 3.08 -1.02 -1.11 114.38 117.68 1b7m h ARG 14 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1b7m h ARG 14 Cb 0.76 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.81 1b7m h ARG 14 CO 0.06 0.03 0.00 1.28 -1.07 0.00 0.00 179.97 180.27 1b7m n LEU 15 N -3.31 2.09 -0.45 3.04 4.77 -0.99 -4.95 117.00 117.21 1b7m n LEU 15 Ca -0.02 -0.92 -0.04 0.00 -0.03 0.00 0.00 56.01 55.00 1b7m n LEU 15 Cb 0.17 -0.17 -0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1b7m n LEU 15 CO 0.25 0.46 -0.05 0.61 -1.33 0.00 0.00 177.39 177.33 1b7m n GLY 16 N 1.20 0.27 0.11 -0.72 0.00 -0.42 -4.97 105.19 100.66 1b7m n GLY 16 Ca 0.16 -0.74 0.12 0.00 0.00 0.00 0.00 46.02 45.56 1b7m n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1b7m h MET 17 N 0.00 0.00 -5.88 1.61 2.86 -1.59 -3.40 114.93 108.52 1b7m h MET 17 Ca -0.10 0.00 -0.49 0.00 -2.06 0.00 0.00 59.70 57.05 1b7m h MET 17 Cb 0.95 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.59 1b7m h MET 17 CO 0.12 0.00 1.43 0.34 1.06 0.00 0.00 176.91 179.86 1b7m s ASP 18 N -4.93 5.05 0.00 1.22 2.15 -1.26 -2.10 116.67 116.80 1b7m s ASP 18 Ca 0.04 0.57 0.00 0.00 0.43 0.00 0.00 52.55 53.59 1b7m s ASP 18 Cb 0.11 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.21 1b7m s ASP 18 CO 0.73 -2.51 0.00 0.61 -0.17 0.00 0.00 175.17 173.83 1b7m n GLY 19 N 5.78 0.74 3.62 2.66 0.00 0.34 -4.87 105.19 113.46 1b7m n GLY 19 Ca 0.25 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.83 1b7m n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1b7m s TYR 20 N -2.00 1.41 -1.55 1.61 5.04 -0.89 -1.35 117.35 119.62 1b7m s TYR 20 Ca 0.00 0.36 -0.05 0.00 -2.44 0.00 0.00 57.07 54.95 1b7m s TYR 20 Cb 0.00 -4.03 0.01 0.00 0.35 0.00 0.00 41.96 38.29 1b7m s TYR 20 CO 0.00 -4.03 0.61 0.54 -1.34 0.00 0.00 175.55 171.32 1b7m n ARG 21 N 8.33 -4.87 -0.84 4.97 5.12 -1.26 -2.08 116.66 126.02 1b7m n ARG 21 Ca 0.25 0.90 0.00 0.00 -1.93 0.00 0.00 57.85 57.07 1b7m n ARG 21 Cb 0.45 -5.76 0.00 0.00 -1.16 0.00 0.00 32.46 25.99 1b7m n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1b7m n GLY 22 N -1.52 0.77 3.48 -0.13 0.00 -0.46 -5.03 105.19 102.30 1b7m n GLY 22 Ca -0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 1b7m n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1b7m s ILE 23 N -2.93 5.09 0.90 -0.61 1.01 -0.88 -4.90 121.20 118.89 1b7m s ILE 23 Ca 0.00 -0.38 -0.11 0.00 0.00 0.00 0.00 60.65 60.17 1b7m s ILE 23 Cb 0.00 -4.04 0.14 0.00 0.01 0.00 0.00 42.46 38.56 1b7m s ILE 23 CO 0.00 -0.43 1.13 -1.54 0.00 0.00 0.00 174.94 174.11 1b7m n SER 24 N 5.59 0.36 -0.35 3.58 3.41 -1.26 -0.51 113.62 124.44 1b7m n SER 24 Ca -0.07 0.44 -0.02 0.00 -0.26 0.00 0.00 58.87 58.96 1b7m n SER 24 Cb 0.47 -1.48 0.13 0.00 -0.26 0.00 0.00 64.21 63.08 1b7m n SER 24 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1b7m h LEU 25 N -1.74 1.11 -1.16 1.04 5.85 -1.90 -2.19 115.31 116.32 1b7m h LEU 25 Ca -0.44 -0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.33 1b7m h LEU 25 Cb 1.27 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 41.97 1b7m h LEU 25 CO 0.42 0.81 0.59 0.00 -0.34 0.00 0.00 178.44 179.91 1b7m h ALA 26 N 1.40 1.56 -0.57 1.25 0.00 -1.90 -1.07 119.26 119.92 1b7m h ALA 26 Ca 0.36 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.14 1b7m h ALA 26 Cb -0.15 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.38 1b7m h ALA 26 CO -0.08 0.29 -0.08 -0.91 0.00 0.00 0.00 179.25 178.47 1b7m h ASN 27 N 0.98 1.05 -0.54 0.00 2.35 -1.71 -1.74 115.58 115.97 1b7m h ASN 27 Ca 0.40 -0.34 -0.06 0.00 -0.55 0.00 0.00 56.30 55.75 1b7m h ASN 27 Cb 0.28 -0.29 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 1b7m h ASN 27 CO -0.16 1.14 0.08 -0.50 -1.65 0.00 0.00 177.43 176.34 1b7m h TRP 28 N 0.94 0.95 -0.41 1.19 4.06 -1.30 -1.07 115.95 120.31 1b7m h TRP 28 Ca 0.15 -0.13 0.00 0.00 2.06 0.00 0.00 58.89 60.97 1b7m h TRP 28 Cb 0.65 -0.26 -0.02 0.00 -1.00 0.00 0.00 29.16 28.53 1b7m h TRP 28 CO 0.04 0.85 0.27 0.52 -3.56 0.00 0.00 178.44 176.56 1b7m h MET 29 N 0.78 0.53 -0.84 0.49 2.86 -1.08 -1.07 114.93 116.61 1b7m h MET 29 Ca 0.16 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.74 1b7m h MET 29 Cb 0.41 -0.12 -0.04 0.00 0.06 0.00 0.00 31.60 31.92 1b7m h MET 29 CO 0.01 0.36 0.40 0.00 1.06 0.00 0.00 176.91 178.74 1b7m h LEU 31 N 1.20 0.32 -0.93 0.00 5.85 -0.87 -1.98 115.31 118.90 1b7m h LEU 31 Ca 0.29 -0.29 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 1b7m h LEU 31 Cb 0.12 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 1b7m h LEU 31 CO -0.04 0.53 0.26 0.00 -0.34 0.00 0.00 178.44 178.86 1b7m h ALA 32 N 0.80 1.15 -0.07 1.25 0.00 -0.98 0.33 119.26 121.72 1b7m h ALA 32 Ca 0.05 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1b7m h ALA 32 Cb 0.36 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1b7m h ALA 32 CO 0.01 0.61 0.03 -0.22 0.00 0.00 0.00 179.25 179.68 1b7m h LYS 33 N 1.02 0.11 0.00 0.00 1.63 -1.05 -0.09 116.57 118.18 1b7m h LYS 33 Ca 0.23 -0.02 -0.13 0.00 -0.85 0.00 0.00 60.65 59.88 1b7m h LYS 33 Cb 0.22 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.81 1b7m h LYS 33 CO -0.02 0.20 -0.64 -1.49 -3.45 0.00 0.00 179.45 174.06 1b7m h TRP 34 N -0.01 0.00 0.02 1.91 4.06 -1.08 -0.91 115.95 119.93 1b7m h TRP 34 Ca 0.03 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.97 1b7m h TRP 34 Cb 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.29 1b7m h TRP 34 CO -0.03 0.64 -0.01 0.93 -3.56 0.00 0.00 178.44 176.41 1b7m h GLU 35 N 0.00 -0.03 0.00 0.49 4.39 -0.23 -3.43 114.58 115.78 1b7m h GLU 35 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1b7m h GLU 35 Cb 1.29 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.95 1b7m h GLU 35 CO 0.08 0.55 -0.30 -1.13 -1.16 0.00 0.00 179.01 177.06 1b7m n SER 36 N -4.82 1.49 0.00 1.42 3.41 -0.12 -4.85 113.62 110.15 1b7m n SER 36 Ca -0.09 -0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.44 1b7m n SER 36 Cb 0.30 0.46 0.00 0.00 -0.26 0.00 0.00 64.21 64.71 1b7m n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1b7m n GLY 37 N 0.90 0.55 2.15 5.00 0.00 -0.35 -3.44 105.19 110.01 1b7m n GLY 37 Ca 0.00 -0.84 -0.05 0.00 0.00 0.00 0.00 46.02 45.13 1b7m n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1b7m n TYR 38 N -3.25 -0.02 -3.64 1.61 0.53 -1.20 -4.78 117.16 106.40 1b7m n TYR 38 Ca 0.00 0.00 -0.38 0.00 -1.02 0.00 0.00 57.90 56.50 1b7m n TYR 38 Cb 0.24 -1.28 -0.12 0.00 -1.03 0.00 0.00 39.34 37.15 1b7m n TYR 38 CO 0.00 0.00 0.00 1.21 -1.02 0.00 0.00 176.86 177.05 1b7m s ASN 39 N -2.93 5.66 0.51 7.72 3.84 -1.22 -0.59 114.94 127.92 1b7m s ASN 39 Ca 0.00 -0.27 0.30 0.00 0.21 0.00 0.00 52.86 53.09 1b7m s ASN 39 Cb 0.00 -2.04 1.08 0.00 -0.55 0.00 0.00 41.25 39.75 1b7m s ASN 39 CO 0.00 -0.12 1.88 0.71 -2.79 0.00 0.00 177.10 176.79 1b7m h THR 40 N 5.52 0.13 -0.45 -5.21 1.35 -1.29 -3.11 112.91 109.86 1b7m h THR 40 Ca -0.34 -0.75 0.00 0.00 -0.55 0.00 0.00 66.41 64.77 1b7m h THR 40 Cb 1.17 1.66 0.00 0.00 -1.73 0.00 0.00 68.15 69.25 1b7m h THR 40 CO 0.59 0.05 0.00 -2.11 -0.25 0.00 0.00 175.52 173.80 1b7m n ARG 41 N -3.16 2.30 -2.10 4.72 -4.01 -1.26 -3.95 116.66 109.19 1b7m n ARG 41 Ca 0.01 -1.99 -0.42 0.00 -1.04 0.00 0.00 57.85 54.42 1b7m n ARG 41 Cb 0.38 -1.46 -0.03 0.00 -3.04 0.00 0.00 32.46 28.30 1b7m n ARG 41 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1b7m s ALA 42 N -1.41 3.60 0.02 2.89 0.00 -1.21 -4.81 121.76 120.84 1b7m s ALA 42 Ca 0.38 1.22 -0.03 0.00 0.00 0.00 0.00 51.96 53.53 1b7m s ALA 42 Cb 0.21 -3.53 -0.01 0.00 0.00 0.00 0.00 23.12 19.78 1b7m s ALA 42 CO 0.28 -0.65 0.04 0.95 0.00 0.00 0.00 175.76 176.38 1b7m s THR 43 N 0.32 0.11 -0.16 0.00 -4.23 -1.26 0.01 115.64 110.43 1b7m s THR 43 Ca 0.60 -0.95 -0.04 0.00 -1.18 0.00 0.00 61.69 60.12 1b7m s THR 43 Cb -0.39 -0.51 0.07 0.00 1.34 0.00 0.00 72.50 73.01 1b7m s THR 43 CO 0.38 -0.52 0.14 0.20 -0.54 0.00 0.00 174.62 174.29 1b7m s ASN 44 N -1.66 1.71 -0.04 3.99 0.02 0.57 -4.92 114.94 114.61 1b7m s ASN 44 Ca -0.12 -0.31 -0.30 0.00 -1.02 0.00 0.00 52.86 51.11 1b7m s ASN 44 Cb -0.07 0.06 -0.03 0.00 0.02 0.00 0.00 41.25 41.23 1b7m s ASN 44 CO -0.02 -0.32 1.02 -0.47 0.02 0.00 0.00 177.10 177.33 1b7m s TYR 45 N 2.23 3.56 -0.41 2.20 6.14 -1.26 -0.93 117.35 128.87 1b7m s TYR 45 Ca 0.04 1.60 -0.10 0.00 0.64 0.00 0.00 57.07 59.26 1b7m s TYR 45 Cb -0.15 -3.19 0.07 0.00 0.42 0.00 0.00 41.96 39.11 1b7m s TYR 45 CO -0.09 -0.27 0.26 -0.80 0.64 0.00 0.00 175.55 175.29 1b7m s ASN 46 N 1.07 5.66 0.47 4.32 0.01 0.12 -4.97 114.94 121.62 1b7m s ASN 46 Ca 0.51 -1.43 0.16 0.00 -0.71 0.00 0.00 52.86 51.39 1b7m s ASN 46 Cb -0.21 -2.00 1.10 0.00 0.41 0.00 0.00 41.25 40.55 1b7m s ASN 46 CO 0.24 -0.52 2.02 0.00 -1.51 0.00 0.00 177.10 177.33 1b7m h ALA 47 N 8.42 1.68 -0.13 0.60 0.00 -1.95 -0.84 119.26 127.05 1b7m h ALA 47 Ca -0.23 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1b7m h ALA 47 Cb 1.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1b7m h ALA 47 CO 0.75 0.19 0.00 0.41 0.00 0.00 0.00 179.25 180.60 1b7m n GLY 48 N -1.05 -2.56 1.18 0.00 0.00 -1.26 -3.52 105.19 97.99 1b7m n GLY 48 Ca -0.02 0.08 0.07 0.00 0.00 0.00 0.00 46.02 46.14 1b7m n GLY 48 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1b7m n ASP 49 N -2.07 3.44 -3.59 1.61 5.75 -1.25 -4.94 116.55 115.51 1b7m n ASP 49 Ca 0.00 -2.29 -0.27 0.00 -0.01 0.00 0.00 54.79 52.23 1b7m n ASP 49 Cb 0.00 -0.47 0.00 0.00 -1.03 0.00 0.00 41.12 39.62 1b7m n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1b7m n ARG 50 N 0.75 -3.83 -3.82 0.11 1.74 -0.35 -4.65 116.66 106.61 1b7m n ARG 50 Ca 0.18 0.50 -0.22 0.00 -0.77 0.00 0.00 57.85 57.55 1b7m n ARG 50 Cb 0.65 -5.26 -0.04 0.00 -1.02 0.00 0.00 32.46 26.78 1b7m n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1b7m s SER 51 N -2.92 4.97 0.01 0.55 1.04 -1.03 -4.38 113.70 111.95 1b7m s SER 51 Ca 0.50 -0.72 0.03 0.00 0.48 0.00 0.00 55.95 56.25 1b7m s SER 51 Cb -0.26 -0.71 -0.01 0.00 0.10 0.00 0.00 66.02 65.13 1b7m s SER 51 CO 0.62 -0.47 -0.09 -0.89 0.98 0.00 0.00 173.24 173.38 1b7m s THR 52 N -2.43 0.73 -0.20 2.02 2.01 -1.26 0.11 115.64 116.63 1b7m s THR 52 Ca 0.43 -0.61 -0.10 0.00 0.31 0.00 0.00 61.69 61.71 1b7m s THR 52 Cb -0.03 -0.66 -0.05 0.00 0.01 0.00 0.00 72.50 71.78 1b7m s THR 52 CO 0.26 0.05 0.14 -1.81 -0.69 0.00 0.00 174.62 172.57 1b7m s ASP 53 N -0.63 6.23 -0.02 3.53 1.01 -0.11 -0.87 116.67 125.81 1b7m s ASP 53 Ca 0.01 0.25 0.06 0.00 0.71 0.00 0.00 52.55 53.57 1b7m s ASP 53 Cb -0.05 -2.09 -0.03 0.00 1.01 0.00 0.00 42.92 41.76 1b7m s ASP 53 CO 0.00 0.18 -0.18 -0.31 0.21 0.00 0.00 175.17 175.07 1b7m s TYR 54 N 0.34 2.56 0.02 4.23 2.02 -0.11 -0.32 117.35 126.09 1b7m s TYR 54 Ca 0.09 -0.26 0.00 0.00 -0.37 0.00 0.00 57.07 56.53 1b7m s TYR 54 Cb -0.11 -1.55 0.00 0.00 -0.40 0.00 0.00 41.96 39.90 1b7m s TYR 54 CO -0.02 0.15 0.00 0.41 -1.57 0.00 0.00 175.55 174.52 1b7m n GLY 55 N 2.13 -1.74 0.35 0.71 0.00 0.10 -1.17 105.19 105.58 1b7m n GLY 55 Ca -0.17 -1.29 0.18 0.00 0.00 0.00 0.00 46.02 44.75 1b7m n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1b7m h ILE 56 N -0.08 0.46 -0.02 -0.61 2.10 -1.69 -0.87 117.51 116.80 1b7m h ILE 56 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1b7m h ILE 56 Cb 0.08 0.77 0.00 0.00 -1.09 0.00 0.00 36.82 36.58 1b7m h ILE 56 CO 0.00 0.00 0.00 0.49 -1.08 0.00 0.00 178.15 177.56 1b7m n PHE 57 N -3.80 0.01 -3.58 2.19 3.01 -1.26 -3.87 117.46 110.16 1b7m n PHE 57 Ca 0.04 -0.02 -0.26 0.00 1.01 0.00 0.00 57.45 58.22 1b7m n PHE 57 Cb 0.43 -0.00 0.05 0.00 -0.01 0.00 0.00 39.48 39.94 1b7m n PHE 57 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1b7m n GLN 58 N 0.62 -1.88 -2.63 -1.08 1.13 -0.33 -4.93 117.38 108.28 1b7m n GLN 58 Ca 0.07 0.57 -0.42 0.00 -1.94 0.00 0.00 57.00 55.27 1b7m n GLN 58 Cb 0.28 -4.65 -0.03 0.00 0.11 0.00 0.00 30.24 25.96 1b7m n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1b7m s ILE 59 N -3.48 4.64 0.02 5.09 1.01 -0.32 -4.44 121.20 123.73 1b7m s ILE 59 Ca 0.41 1.91 -0.30 0.00 0.00 0.00 0.00 60.65 62.68 1b7m s ILE 59 Cb -0.12 -4.23 -0.04 0.00 0.01 0.00 0.00 42.46 38.08 1b7m s ILE 59 CO 0.83 0.05 1.07 0.21 0.00 0.00 0.00 174.94 177.10 1b7m s ASN 60 N 1.14 7.24 0.00 3.58 3.84 -1.26 -0.94 114.94 128.55 1b7m s ASN 60 Ca 0.52 1.80 0.12 0.00 0.21 0.00 0.00 52.86 55.51 1b7m s ASN 60 Cb -0.21 -2.57 0.61 0.00 -0.55 0.00 0.00 41.25 38.52 1b7m s ASN 60 CO 0.22 -0.36 1.32 -1.54 -2.79 0.00 0.00 177.10 173.96 1b7m n SER 61 N 3.98 0.00 0.16 -4.21 3.41 -0.05 -2.36 113.62 114.55 1b7m n SER 61 Ca 0.07 0.18 0.03 0.00 -0.26 0.00 0.00 58.87 58.89 1b7m n SER 61 Cb 0.49 -0.32 0.23 0.00 -0.26 0.00 0.00 64.21 64.35 1b7m n SER 61 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1b7m h ARG 62 N 0.00 0.00 0.00 4.33 2.43 -1.84 -3.39 114.38 115.91 1b7m h ARG 62 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1b7m h ARG 62 Cb 0.13 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1b7m h ARG 62 CO 0.00 0.50 -0.53 0.66 -1.51 0.00 0.00 179.97 179.09 1b7m n TYR 63 N -3.58 0.00 -0.05 2.20 4.02 -1.15 -0.37 117.16 118.23 1b7m n TYR 63 Ca -0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 57.85 1b7m n TYR 63 Cb 0.59 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.80 1b7m n TYR 63 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 1b7m n TRP 64 N -0.88 0.00 -4.02 -0.72 7.02 -0.99 -0.90 117.44 116.94 1b7m n TRP 64 Ca 0.00 0.00 -0.08 0.00 -1.02 0.00 0.00 57.50 56.40 1b7m n TRP 64 Cb 0.04 -0.57 -0.09 0.00 -2.42 0.00 0.00 31.31 28.27 1b7m n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1b7m s ASN 66 N -2.92 5.63 0.00 0.00 2.47 -0.62 -4.59 114.94 114.92 1b7m s ASN 66 Ca 0.09 0.05 0.00 0.00 0.42 0.00 0.00 52.86 53.43 1b7m s ASN 66 Cb 0.07 -1.98 0.00 0.00 -1.45 0.00 0.00 41.25 37.89 1b7m s ASN 66 CO -0.08 0.14 0.62 -0.90 -3.72 0.00 0.00 177.10 173.16 1b7m n ASP 67 N 3.76 1.16 0.00 -4.21 5.75 -1.26 -1.02 116.55 120.73 1b7m n ASP 67 Ca -0.16 -1.35 0.00 0.00 -0.01 0.00 0.00 54.79 53.26 1b7m n ASP 67 Cb 0.52 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 1b7m n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1b7m n GLY 68 N -0.18 1.54 0.39 6.12 0.00 -1.26 -4.78 105.19 107.01 1b7m n GLY 68 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 1b7m n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1b7m n LYS 69 N -1.88 2.83 -3.66 1.61 2.85 -1.26 -4.95 118.16 113.70 1b7m n LYS 69 Ca 0.00 -1.94 -0.38 0.00 -1.05 0.00 0.00 58.31 54.94 1b7m n LYS 69 Cb 0.00 -1.23 -0.12 0.00 -0.65 0.00 0.00 35.03 33.04 1b7m n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1b7m s THR 70 N -1.26 4.58 -0.13 0.58 2.01 -1.26 -4.93 115.64 115.23 1b7m s THR 70 Ca 0.16 -0.39 -0.34 0.00 0.31 0.00 0.00 61.69 61.43 1b7m s THR 70 Cb 0.10 -3.32 -0.11 0.00 0.01 0.00 0.00 72.50 69.18 1b7m s THR 70 CO 0.09 0.09 1.93 -2.65 -0.69 0.00 0.00 174.62 173.39 1b7m n PRO 71 N 4.98 2.01 -1.82 4.92 -0.02 -1.26 -2.76 135.00 141.05 1b7m n PRO 71 Ca -0.14 0.72 -0.18 0.00 -2.02 0.00 0.00 63.50 61.88 1b7m n PRO 71 Cb 0.49 -2.64 -0.05 0.00 -0.02 0.00 0.00 33.50 31.28 1b7m n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1b7m n GLY 72 N 4.71 0.95 3.85 -1.23 0.00 -1.26 -5.01 105.19 107.20 1b7m n GLY 72 Ca 0.25 -0.17 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 1b7m n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b7m s ALA 73 N -2.74 2.55 0.43 4.61 0.00 -1.11 -5.05 121.76 120.45 1b7m s ALA 73 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 51.64 1b7m s ALA 73 Cb 0.00 -3.05 0.00 0.00 0.00 0.00 0.00 23.12 20.07 1b7m s ALA 73 CO 0.00 -1.49 0.01 1.33 0.00 0.00 0.00 175.76 175.61 1b7m n VAL 74 N -3.25 0.00 -3.13 0.00 0.24 0.51 -4.99 118.33 107.70 1b7m n VAL 74 Ca 0.07 -2.04 -0.21 0.00 -2.04 0.00 0.00 64.34 60.13 1b7m n VAL 74 Cb 0.57 0.39 -0.05 0.00 -1.47 0.00 0.00 33.84 33.28 1b7m n VAL 74 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1b7m n ASN 75 N -1.29 -0.08 0.30 -1.34 5.15 -1.25 -4.03 115.26 112.73 1b7m n ASN 75 Ca -0.17 -2.84 0.17 0.00 -0.60 0.00 0.00 54.58 51.14 1b7m n ASN 75 Cb 0.55 -0.32 0.95 0.00 -0.53 0.00 0.00 39.78 40.43 1b7m n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1b7m h ALA 76 N 3.78 1.28 -0.01 5.20 0.00 -1.05 -0.67 119.26 127.80 1b7m h ALA 76 Ca 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1b7m h ALA 76 Cb 0.92 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1b7m h ALA 76 CO 0.45 0.04 -0.23 0.00 0.00 0.00 0.00 179.25 179.50 1b7m n HIS 78 N -0.22 -1.94 -3.92 0.00 -0.00 -0.26 -4.95 115.22 103.93 1b7m n HIS 78 Ca 0.13 0.60 -0.10 0.00 -0.00 0.00 0.00 57.72 58.35 1b7m n HIS 78 Cb 0.39 -3.72 -0.10 0.00 -0.00 0.00 0.00 29.99 26.57 1b7m n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1b7m s LEU 79 N -6.44 1.77 0.30 2.41 1.43 -1.26 -5.08 118.68 111.81 1b7m s LEU 79 Ca 0.34 -0.43 -0.27 0.00 -1.03 0.00 0.00 54.13 52.74 1b7m s LEU 79 Cb -0.11 0.57 -0.10 0.00 0.03 0.00 0.00 46.19 46.59 1b7m s LEU 79 CO 0.84 -0.44 0.95 -0.55 0.23 0.00 0.00 176.35 177.38 1b7m s SER 80 N -1.83 7.39 0.64 2.29 0.15 -1.26 -1.58 113.70 119.49 1b7m s SER 80 Ca -0.09 1.89 0.42 0.00 0.70 0.00 0.00 55.95 58.87 1b7m s SER 80 Cb -0.04 -2.59 2.30 0.00 -1.71 0.00 0.00 66.02 63.98 1b7m s SER 80 CO -0.02 -0.03 2.29 0.00 1.20 0.00 0.00 173.24 176.68 1b7m h SER 82 N 0.00 0.91 0.07 0.00 0.87 -1.90 -0.09 113.55 113.41 1b7m h SER 82 Ca 0.00 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1b7m h SER 82 Cb 0.02 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 61.78 1b7m h SER 82 CO 0.00 0.61 0.00 0.00 -0.53 0.00 0.00 176.83 176.91 1b7m h ALA 83 N 1.50 1.00 -0.29 6.23 0.00 -1.26 -0.90 119.26 125.55 1b7m h ALA 83 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1b7m h ALA 83 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1b7m h ALA 83 CO -0.12 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.41 1b7m n LEU 84 N -2.86 1.85 -0.05 0.00 4.77 -0.05 -3.60 117.00 117.07 1b7m n LEU 84 Ca -0.02 -0.87 0.04 0.00 -0.03 0.00 0.00 56.01 55.13 1b7m n LEU 84 Cb 0.08 -0.19 0.06 0.00 -2.33 0.00 0.00 43.42 41.03 1b7m n LEU 84 CO 0.18 0.44 0.51 0.18 -1.33 0.00 0.00 177.39 177.36 1b7m n LEU 85 N 0.48 1.98 -4.85 2.23 4.77 -0.34 -2.92 117.00 118.35 1b7m n LEU 85 Ca 0.14 -2.33 -0.32 0.00 -0.03 0.00 0.00 56.01 53.46 1b7m n LEU 85 Cb 0.32 -0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 41.19 1b7m n LEU 85 CO 0.10 0.56 0.65 -1.10 -1.33 0.00 0.00 177.39 176.27 1b7m s GLN 86 N -1.72 3.91 0.23 3.23 -0.21 -1.24 -4.57 119.66 119.29 1b7m s GLN 86 Ca 0.14 0.88 0.01 0.00 0.02 0.00 0.00 55.36 56.41 1b7m s GLN 86 Cb 0.12 -2.16 0.24 0.00 1.00 0.00 0.00 33.01 32.20 1b7m s GLN 86 CO 0.01 -0.26 1.58 -0.44 -2.12 0.00 0.00 175.29 174.06 1b7m h ASP 87 N 0.88 0.46 -3.27 5.90 5.19 -1.93 -3.40 116.42 120.25 1b7m h ASP 87 Ca -0.47 -0.23 -0.57 0.00 -0.62 0.00 0.00 57.03 55.14 1b7m h ASP 87 Cb 1.19 -0.13 -0.06 0.00 0.18 0.00 0.00 39.33 40.50 1b7m h ASP 87 CO 0.62 0.88 0.48 0.21 -3.12 0.00 0.00 179.24 178.31 1b7m s ASN 88 N -6.89 7.03 -0.10 6.45 3.84 -1.26 -4.93 114.94 119.09 1b7m s ASN 88 Ca -0.06 1.27 0.17 0.00 0.21 0.00 0.00 52.86 54.46 1b7m s ASN 88 Cb 0.12 -2.49 0.66 0.00 -0.55 0.00 0.00 41.25 39.00 1b7m s ASN 88 CO 0.81 -0.45 1.56 2.30 -2.79 0.00 0.00 177.10 178.53 1b7m n ILE 89 N 4.78 1.61 -0.22 -5.21 -5.35 -1.26 -4.52 119.36 109.20 1b7m n ILE 89 Ca 0.06 -1.06 -0.03 0.00 -0.27 0.00 0.00 62.75 61.45 1b7m n ILE 89 Cb 0.48 0.12 0.08 0.00 -1.74 0.00 0.00 39.64 38.58 1b7m n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1b7m h ALA 90 N 4.06 0.82 -0.10 -1.28 0.00 -1.95 0.52 119.26 121.33 1b7m h ALA 90 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1b7m h ALA 90 Cb 1.32 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1b7m h ALA 90 CO 0.20 0.06 0.05 -0.44 0.00 0.00 0.00 179.25 179.12 1b7m h ASP 91 N 0.69 0.13 -0.82 0.00 3.45 -1.88 0.12 116.42 118.10 1b7m h ASP 91 Ca 0.27 -0.12 0.09 0.00 0.43 0.00 0.00 57.03 57.69 1b7m h ASP 91 Cb 0.11 -0.03 -0.07 0.00 -0.56 0.00 0.00 39.33 38.78 1b7m h ASP 91 CO -0.15 0.21 0.48 0.00 -1.57 0.00 0.00 179.24 178.22 1b7m h ALA 92 N 0.92 1.16 -0.43 3.45 0.00 -1.69 0.12 119.26 122.80 1b7m h ALA 92 Ca 0.03 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 1b7m h ALA 92 Cb 0.12 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1b7m h ALA 92 CO -0.00 0.13 -0.14 0.28 0.00 0.00 0.00 179.25 179.51 1b7m h VAL 93 N 0.82 1.28 -0.59 0.00 2.07 -0.55 0.47 116.25 119.75 1b7m h VAL 93 Ca 0.39 -1.27 -0.02 0.00 0.82 0.00 0.00 66.70 66.62 1b7m h VAL 93 Cb 0.32 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 1b7m h VAL 93 CO -0.23 0.43 0.27 0.00 0.02 0.00 0.00 177.57 178.06 1b7m h ALA 94 N 0.84 1.37 -0.19 1.67 0.00 0.11 -1.82 119.26 121.24 1b7m h ALA 94 Ca 0.10 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1b7m h ALA 94 Cb 0.69 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1b7m h ALA 94 CO 0.05 0.49 -0.10 0.00 0.00 0.00 0.00 179.25 179.69 1b7m h MET 96 N 0.09 0.00 -0.10 0.00 2.86 -0.38 -0.12 114.93 117.29 1b7m h MET 96 Ca 0.04 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.47 1b7m h MET 96 Cb 0.59 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.25 1b7m h MET 96 CO 0.03 0.00 -0.80 0.87 1.06 0.00 0.00 176.91 178.07 1b7m h LYS 97 N 0.00 0.61 -0.29 1.72 1.57 -1.24 -2.46 116.57 116.48 1b7m h LYS 97 Ca 0.08 -0.53 -0.04 0.00 -1.87 0.00 0.00 60.65 58.30 1b7m h LYS 97 Cb 0.36 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 1b7m h LYS 97 CO -0.00 1.15 0.04 -0.09 -0.57 0.00 0.00 179.45 179.97 1b7m h ARG 98 N 0.41 0.48 -0.33 3.15 9.65 -0.89 -2.69 114.38 124.15 1b7m h ARG 98 Ca -0.05 -0.13 0.06 0.00 -1.10 0.00 0.00 59.98 58.76 1b7m h ARG 98 Cb 1.41 -0.05 -0.06 0.00 -1.39 0.00 0.00 29.97 29.88 1b7m h ARG 98 CO 0.15 0.59 -0.06 0.28 2.80 0.00 0.00 179.97 183.73 1b7m h VAL 99 N 0.29 0.69 -0.01 0.20 2.07 -1.09 -1.65 116.25 116.76 1b7m h VAL 99 Ca 0.09 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.60 1b7m h VAL 99 Cb 0.35 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1b7m h VAL 99 CO 0.01 0.00 0.00 1.33 0.02 0.00 0.00 177.57 178.93 1b7m n VAL 100 N -5.25 0.01 1.48 2.57 0.24 -0.93 -2.54 118.33 113.91 1b7m n VAL 100 Ca 0.01 -0.01 0.14 0.00 -2.04 0.00 0.00 64.34 62.44 1b7m n VAL 100 Cb 0.18 -0.16 0.61 0.00 -1.47 0.00 0.00 33.84 33.01 1b7m n VAL 100 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1b7m n ARG 101 N -0.64 0.90 -2.71 7.34 1.74 -0.62 -4.62 116.66 118.05 1b7m n ARG 101 Ca 0.09 -0.35 -0.24 0.00 -0.77 0.00 0.00 57.85 56.58 1b7m n ARG 101 Cb 0.05 -1.49 0.03 0.00 -1.02 0.00 0.00 32.46 30.02 1b7m n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1b7m s ASP 102 N -2.34 5.58 0.15 0.55 -0.00 -1.05 -5.04 116.67 114.52 1b7m s ASP 102 Ca 0.32 0.34 -0.23 0.00 -0.00 0.00 0.00 52.55 52.98 1b7m s ASP 102 Cb 0.20 -1.40 0.03 0.00 -0.00 0.00 0.00 42.92 41.75 1b7m s ASP 102 CO 0.44 -0.95 1.61 1.55 -0.00 0.00 0.00 175.17 177.83 1b7m h PRO 103 N 0.11 -0.27 -0.88 8.23 0.13 -1.88 -2.90 132.00 134.54 1b7m h PRO 103 Ca -0.45 0.02 0.15 0.00 -0.87 0.00 0.00 66.00 64.85 1b7m h PRO 103 Cb 1.27 0.06 -0.09 0.00 0.13 0.00 0.00 31.00 32.36 1b7m h PRO 103 CO 0.57 -0.18 0.48 1.96 -0.23 0.00 0.00 178.00 180.60 1b7m h GLN 104 N -0.28 0.66 0.00 0.86 4.20 -1.94 -3.48 115.11 115.14 1b7m h GLN 104 Ca 0.14 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.81 1b7m h GLN 104 Cb 0.51 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.14 1b7m h GLN 104 CO -0.44 0.44 0.00 0.41 -0.67 0.00 0.00 178.83 178.57 1b7m n GLY 105 N -1.33 0.38 0.20 3.46 0.00 -1.10 -3.27 105.19 103.53 1b7m n GLY 105 Ca 0.18 -0.96 0.13 0.00 0.00 0.00 0.00 46.02 45.37 1b7m n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1b7m h ILE 106 N 0.00 0.00 0.00 -0.61 2.10 -1.92 -3.17 117.51 113.92 1b7m h ILE 106 Ca 0.00 -0.74 0.00 0.00 1.08 0.00 0.00 64.86 65.20 1b7m h ILE 106 Cb 0.00 1.72 0.00 0.00 -1.09 0.00 0.00 36.82 37.45 1b7m h ILE 106 CO 0.00 0.00 0.00 0.54 -1.08 0.00 0.00 178.15 177.61 1b7m n ARG 107 N -2.86 0.00 0.30 2.19 1.74 -1.20 -1.89 116.66 114.94 1b7m n ARG 107 Ca 0.04 0.49 0.18 0.00 -0.77 0.00 0.00 57.85 57.78 1b7m n ARG 107 Cb 0.44 -1.50 0.96 0.00 -1.02 0.00 0.00 32.46 31.34 1b7m n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1b7m h ALA 108 N 2.02 1.14 -2.80 7.54 0.00 -1.76 -3.39 119.26 122.00 1b7m h ALA 108 Ca 0.00 -0.03 -0.66 0.00 0.00 0.00 0.00 54.91 54.22 1b7m h ALA 108 Cb 0.01 -0.00 -0.18 0.00 0.00 0.00 0.00 17.79 17.61 1b7m h ALA 108 CO 0.00 0.04 -0.50 -1.58 0.00 0.00 0.00 179.25 177.21 1b7m s TRP 109 N -4.13 3.22 0.43 0.00 0.51 -0.79 -4.97 118.94 113.21 1b7m s TRP 109 Ca -0.03 -0.10 0.18 0.00 -2.12 0.00 0.00 56.10 54.03 1b7m s TRP 109 Cb 0.12 -2.43 1.08 0.00 -0.81 0.00 0.00 33.47 31.44 1b7m s TRP 109 CO 0.50 -0.28 1.99 0.28 -0.51 0.00 0.00 176.95 178.93 1b7m h VAL 110 N 5.45 1.00 -0.43 4.03 2.07 -1.88 -2.71 116.25 123.79 1b7m h VAL 110 Ca -0.33 -0.69 -0.01 0.00 0.82 0.00 0.00 66.70 66.49 1b7m h VAL 110 Cb 1.17 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 32.31 1b7m h VAL 110 CO 0.60 0.19 0.23 0.00 0.02 0.00 0.00 177.57 178.61 1b7m h ALA 111 N 1.81 0.54 -0.59 1.67 0.00 -1.94 0.14 119.26 120.88 1b7m h ALA 111 Ca -0.00 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.85 1b7m h ALA 111 Cb 0.37 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1b7m h ALA 111 CO 0.03 0.07 0.36 2.35 0.00 0.00 0.00 179.25 182.06 1b7m h TRP 112 N 0.55 0.67 -0.57 0.00 7.01 -1.81 0.15 115.95 121.96 1b7m h TRP 112 Ca 0.15 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.14 1b7m h TRP 112 Cb 0.06 -0.22 -0.03 0.00 -2.10 0.00 0.00 29.16 26.87 1b7m h TRP 112 CO -0.02 0.38 0.25 0.00 -2.79 0.00 0.00 178.44 176.26 1b7m h ARG 113 N 0.71 0.84 0.04 2.65 3.08 -1.28 0.27 114.38 120.69 1b7m h ARG 113 Ca 0.24 -0.14 -0.25 0.00 0.07 0.00 0.00 59.98 59.90 1b7m h ARG 113 Cb 0.03 -0.14 0.01 0.00 0.08 0.00 0.00 29.97 29.94 1b7m h ARG 113 CO -0.10 0.71 -1.06 -0.91 -1.07 0.00 0.00 179.97 177.54 1b7m h ASN 114 N 0.78 0.60 -0.05 7.04 2.35 -0.40 -3.32 115.58 122.58 1b7m h ASN 114 Ca 0.19 -0.52 0.00 0.00 -0.55 0.00 0.00 56.30 55.42 1b7m h ASN 114 Cb 0.17 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.35 1b7m h ASN 114 CO -0.02 1.34 0.00 -2.11 -1.65 0.00 0.00 177.43 174.99 1b7m n ARG 115 N -3.72 0.88 0.00 0.81 0.00 0.01 -4.87 116.66 109.77 1b7m n ARG 115 Ca -0.08 -1.11 0.00 0.00 -0.00 0.00 0.00 57.85 56.65 1b7m n ARG 115 Cb 0.90 -1.09 0.00 0.00 -0.00 0.00 0.00 32.46 32.27 1b7m n ARG 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1b7m s GLN 117 N -1.85 3.77 -1.41 0.00 0.74 0.65 -2.67 119.66 118.88 1b7m s GLN 117 Ca 0.00 2.46 -0.08 0.00 0.05 0.00 0.00 55.36 57.79 1b7m s GLN 117 Cb 0.00 -2.72 0.05 0.00 1.10 0.00 0.00 33.01 31.44 1b7m s GLN 117 CO 0.00 -0.77 0.60 0.09 -0.55 0.00 0.00 175.29 174.66 1b7m n ASN 118 N -0.07 -4.71 -4.09 6.67 5.03 -1.26 -4.92 115.26 111.91 1b7m n ASN 118 Ca 0.04 -0.40 -0.08 0.00 0.87 0.00 0.00 54.58 55.01 1b7m n ASN 118 Cb 0.41 -3.84 -0.10 0.00 -1.02 0.00 0.00 39.78 35.24 1b7m n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1b7m s ARG 119 N -5.99 0.74 -0.26 3.52 0.52 -1.09 -5.12 118.95 111.28 1b7m s ARG 119 Ca 0.40 -1.27 -0.21 0.00 -0.52 0.00 0.00 55.73 54.13 1b7m s ARG 119 Cb -0.20 0.23 -0.02 0.00 0.52 0.00 0.00 34.95 35.49 1b7m s ARG 119 CO 0.50 -0.18 0.67 0.34 0.02 0.00 0.00 175.30 176.64 1b7m s ASP 120 N -2.96 6.62 0.00 0.23 2.15 -1.26 -4.90 116.67 116.55 1b7m s ASP 120 Ca 0.13 0.74 0.14 0.00 0.43 0.00 0.00 52.55 53.99 1b7m s ASP 120 Cb 0.07 -2.35 0.08 0.00 -0.30 0.00 0.00 42.92 40.42 1b7m s ASP 120 CO -0.06 -0.41 0.88 1.33 -0.17 0.00 0.00 175.17 176.74 1b7m n VAL 121 N 5.23 0.00 -0.35 1.11 0.24 -1.26 -4.59 118.33 118.71 1b7m n VAL 121 Ca 0.01 -0.46 0.12 0.00 -2.04 0.00 0.00 64.34 61.96 1b7m n VAL 121 Cb 0.49 1.25 0.32 0.00 -1.47 0.00 0.00 33.84 34.42 1b7m n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1b7m h ARG 122 N 2.35 0.77 -0.36 7.34 3.08 -1.90 0.14 114.38 125.80 1b7m h ARG 122 Ca 0.00 -0.05 0.10 0.00 0.07 0.00 0.00 59.98 60.11 1b7m h ARG 122 Cb 0.54 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 1b7m h ARG 122 CO 0.00 0.51 0.68 -0.56 -1.07 0.00 0.00 179.97 179.53 1b7m h GLN 123 N 0.80 0.00 0.00 0.04 3.07 -1.98 0.14 115.11 117.18 1b7m h GLN 123 Ca 0.56 0.00 -0.15 0.00 0.09 0.00 0.00 58.65 59.15 1b7m h GLN 123 Cb 0.83 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.37 1b7m h GLN 123 CO -0.35 0.00 -0.69 1.88 0.09 0.00 0.00 178.83 179.76 1b7m h TYR 124 N 0.00 0.00 -0.20 0.06 0.05 -1.06 -3.33 116.97 112.49 1b7m h TYR 124 Ca 0.17 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.95 1b7m h TYR 124 Cb 1.52 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.26 1b7m h TYR 124 CO 0.00 0.69 0.00 1.33 -1.05 0.00 0.00 178.16 179.13 1b7m n VAL 125 N -3.40 0.46 -2.06 -2.88 0.24 0.46 -4.81 118.33 106.33 1b7m n VAL 125 Ca 0.00 -0.73 -0.42 0.00 -2.04 0.00 0.00 64.34 61.15 1b7m n VAL 125 Cb 0.76 0.92 -0.03 0.00 -1.47 0.00 0.00 33.84 34.02 1b7m n VAL 125 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1b7m s GLN 126 N -1.07 4.28 0.00 7.34 -1.52 -0.91 -2.73 119.66 125.05 1b7m s GLN 126 Ca 0.21 2.22 0.00 0.00 -1.95 0.00 0.00 55.36 55.84 1b7m s GLN 126 Cb 0.13 -3.19 0.00 0.00 -0.22 0.00 0.00 33.01 29.73 1b7m s GLN 126 CO 0.18 -0.48 0.00 0.41 -0.25 0.00 0.00 175.29 175.15 1b7m n GLY 127 N 3.27 0.51 0.07 3.09 0.00 -1.26 -4.89 105.19 105.98 1b7m n GLY 127 Ca 0.11 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.25 1b7m n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b7m n GLY 129 N 1.47 0.02 0.00 0.00 0.00 -1.26 -4.77 105.19 100.65 1b7m n GLY 129 Ca 0.06 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1b7m n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65