#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i1z s VAL 2 N 0.00 4.41 0.62 3.15 1.01 -1.26 -0.65 120.40 127.68 1i1z s VAL 2 Ca 0.00 -1.76 -0.16 0.00 0.00 0.00 0.00 61.98 60.06 1i1z s VAL 2 Cb 0.00 -3.89 -0.02 0.00 0.00 0.00 0.00 36.38 32.47 1i1z s VAL 2 CO 0.00 -0.80 1.12 -0.36 0.00 0.00 0.00 175.10 175.06 1i1z s PHE 3 N 1.37 2.64 0.28 5.22 0.08 -0.42 -5.00 117.98 122.16 1i1z s PHE 3 Ca 0.06 1.55 -0.12 0.00 0.12 0.00 0.00 56.93 58.54 1i1z s PHE 3 Cb -0.27 -3.21 -0.08 0.00 -0.57 0.00 0.00 43.02 38.90 1i1z s PHE 3 CO -0.00 -1.65 0.65 -2.00 -0.10 0.00 0.00 175.22 172.12 1i1z s GLU 4 N -3.84 3.88 0.08 0.44 2.56 -1.26 -4.88 118.70 115.68 1i1z s GLU 4 Ca 0.69 0.45 -0.21 0.00 0.00 0.00 0.00 54.97 55.89 1i1z s GLU 4 Cb -0.22 -2.53 -0.07 0.00 2.00 0.00 0.00 34.13 33.31 1i1z s GLU 4 CO 0.37 0.22 1.35 -0.09 -0.56 0.00 0.00 175.26 176.55 1i1z h ARG 5 N 2.29 -0.26 0.00 4.30 2.43 -1.96 -1.74 114.38 119.44 1i1z h ARG 5 Ca -0.47 0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 58.69 1i1z h ARG 5 Cb 1.17 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.78 1i1z h ARG 5 CO 0.67 -0.17 -0.13 0.00 -1.51 0.00 0.00 179.97 178.83 1i1z h GLU 7 N 0.00 1.00 -0.34 0.00 4.81 -1.87 -1.15 114.58 117.03 1i1z h GLU 7 Ca -0.00 -0.34 -0.09 0.00 -0.13 0.00 0.00 59.36 58.79 1i1z h GLU 7 Cb 0.24 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 1i1z h GLU 7 CO 0.02 1.02 -0.15 1.25 -0.73 0.00 0.00 179.01 180.42 1i1z h LEU 8 N 0.89 0.73 -0.41 1.64 5.85 -0.73 -1.85 115.31 121.42 1i1z h LEU 8 Ca 0.15 -0.40 0.05 0.00 0.84 0.00 0.00 57.88 58.53 1i1z h LEU 8 Cb 0.59 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.37 1i1z h LEU 8 CO 0.04 0.97 0.13 0.00 -0.34 0.00 0.00 178.44 179.24 1i1z h ALA 9 N 0.79 0.48 -0.14 1.25 0.00 -1.13 0.15 119.26 120.66 1i1z h ALA 9 Ca 0.08 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 1i1z h ALA 9 Cb 0.68 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1i1z h ALA 9 CO 0.05 -0.26 -0.30 0.00 0.00 0.00 0.00 179.25 178.73 1i1z h ARG 10 N 0.29 0.26 -0.14 0.00 3.08 -1.15 -1.49 114.38 115.24 1i1z h ARG 10 Ca 0.19 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 60.13 1i1z h ARG 10 Cb 0.19 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 1i1z h ARG 10 CO -0.21 0.55 0.03 1.15 -1.07 0.00 0.00 179.97 180.42 1i1z h THR 11 N 0.23 1.21 -0.74 2.04 2.02 -0.33 -2.49 112.91 114.85 1i1z h THR 11 Ca 0.03 -0.67 -0.00 0.00 0.77 0.00 0.00 66.41 66.54 1i1z h THR 11 Cb 0.66 1.39 -0.04 0.00 -1.74 0.00 0.00 68.15 68.43 1i1z h THR 11 CO 0.05 0.20 0.46 -0.07 0.37 0.00 0.00 175.52 176.52 1i1z h LEU 12 N 0.02 0.88 -0.16 2.58 3.38 -0.60 -1.70 115.31 119.71 1i1z h LEU 12 Ca 0.04 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1i1z h LEU 12 Cb 0.28 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1i1z h LEU 12 CO 0.00 0.67 0.08 0.50 0.09 0.00 0.00 178.44 179.78 1i1z h LYS 13 N 1.02 0.24 0.00 1.13 1.63 -1.16 -1.77 116.57 117.65 1i1z h LYS 13 Ca 0.27 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 60.02 1i1z h LYS 13 Cb -0.05 -0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 31.53 1i1z h LYS 13 CO -0.05 0.28 -0.07 0.00 -3.45 0.00 0.00 179.45 176.17 1i1z h ARG 14 N 0.14 0.00 -0.07 1.90 3.08 -1.00 -0.05 114.38 118.37 1i1z h ARG 14 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1i1z h ARG 14 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 1i1z h ARG 14 CO -0.01 0.07 0.00 1.28 -1.07 0.00 0.00 179.97 180.24 1i1z n LEU 15 N -4.03 0.71 -0.86 3.04 4.77 -0.68 -4.90 117.00 115.05 1i1z n LEU 15 Ca -0.03 -0.29 -0.05 0.00 -0.03 0.00 0.00 56.01 55.61 1i1z n LEU 15 Cb 0.15 -0.04 0.01 0.00 -2.33 0.00 0.00 43.42 41.21 1i1z n LEU 15 CO 0.31 0.15 -0.01 0.61 -1.33 0.00 0.00 177.39 177.12 1i1z n GLY 16 N 0.94 0.34 0.04 -0.72 0.00 -0.03 -4.96 105.19 100.80 1i1z n GLY 16 Ca 0.15 -0.58 0.12 0.00 0.00 0.00 0.00 46.02 45.70 1i1z n GLY 16 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1i1z n MET 17 N -1.53 0.26 -1.97 1.61 2.81 -0.71 -4.54 117.12 113.04 1i1z n MET 17 Ca -0.03 0.03 -0.42 0.00 -1.81 0.00 0.00 57.70 55.46 1i1z n MET 17 Cb 0.53 -1.61 -0.03 0.00 -0.71 0.00 0.00 33.22 31.40 1i1z n MET 17 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1i1z s ASP 18 N -3.91 5.74 0.00 7.83 2.15 -1.26 -2.16 116.67 125.05 1i1z s ASP 18 Ca 0.05 1.21 0.00 0.00 0.43 0.00 0.00 52.55 54.24 1i1z s ASP 18 Cb 0.14 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.24 1i1z s ASP 18 CO 0.77 -1.85 0.00 0.61 -0.17 0.00 0.00 175.17 174.53 1i1z n GLY 19 N 5.49 0.70 3.70 2.66 0.00 0.61 -4.88 105.19 113.49 1i1z n GLY 19 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 1i1z n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1i1z s TYR 20 N -2.25 2.55 -1.16 1.61 5.04 -0.92 -1.91 117.35 120.32 1i1z s TYR 20 Ca 0.00 0.27 -0.08 0.00 -2.44 0.00 0.00 57.07 54.83 1i1z s TYR 20 Cb 0.00 -4.06 0.06 0.00 0.35 0.00 0.00 41.96 38.31 1i1z s TYR 20 CO 0.00 -4.19 0.37 0.54 -1.34 0.00 0.00 175.55 170.93 1i1z n ARG 21 N 4.99 -3.04 -0.98 4.97 5.12 -1.26 -0.37 116.66 126.09 1i1z n ARG 21 Ca 0.16 0.43 0.00 0.00 -1.93 0.00 0.00 57.85 56.52 1i1z n ARG 21 Cb 0.38 -5.10 0.00 0.00 -1.16 0.00 0.00 32.46 26.58 1i1z n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1i1z n GLY 22 N -1.04 0.48 3.45 -0.13 0.00 -0.80 -5.01 105.19 102.13 1i1z n GLY 22 Ca -0.03 -0.28 -0.37 0.00 0.00 0.00 0.00 46.02 45.34 1i1z n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i1z s ILE 23 N -2.00 4.48 0.70 -0.61 1.01 0.50 -4.88 121.20 120.40 1i1z s ILE 23 Ca 0.00 -0.25 -0.15 0.00 0.00 0.00 0.00 60.65 60.25 1i1z s ILE 23 Cb 0.00 -3.18 0.02 0.00 0.01 0.00 0.00 42.46 39.32 1i1z s ILE 23 CO 0.00 0.23 1.17 -0.94 0.00 0.00 0.00 174.94 175.39 1i1z s SER 24 N 1.62 4.57 0.24 3.58 1.04 -1.26 -0.28 113.70 123.21 1i1z s SER 24 Ca 0.06 2.22 -0.05 0.00 0.48 0.00 0.00 55.95 58.66 1i1z s SER 24 Cb -0.16 -2.57 0.43 0.00 0.10 0.00 0.00 66.02 63.82 1i1z s SER 24 CO 0.05 -2.00 1.74 0.25 0.98 0.00 0.00 173.24 174.25 1i1z h LEU 25 N -0.14 0.30 -1.78 2.42 5.85 -1.90 0.01 115.31 120.07 1i1z h LEU 25 Ca -0.47 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.35 1i1z h LEU 25 Cb 1.28 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.37 1i1z h LEU 25 CO 0.51 0.13 0.12 0.00 -0.34 0.00 0.00 178.44 178.86 1i1z h ALA 26 N 1.52 1.84 -0.20 1.25 0.00 -1.92 0.64 119.26 122.40 1i1z h ALA 26 Ca 0.40 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 55.09 1i1z h ALA 26 Cb 0.58 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.29 1i1z h ALA 26 CO -0.38 0.14 -0.63 -0.91 0.00 0.00 0.00 179.25 177.47 1i1z h ASN 27 N 0.27 0.89 -0.85 0.00 2.35 -1.33 -0.59 115.58 116.32 1i1z h ASN 27 Ca 0.07 -0.59 -0.02 0.00 -0.55 0.00 0.00 56.30 55.21 1i1z h ASN 27 Cb -0.01 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 38.06 1i1z h ASN 27 CO -0.01 1.33 0.46 -0.50 -1.65 0.00 0.00 177.43 177.06 1i1z h TRP 28 N 0.51 1.17 -0.16 1.19 4.06 -0.76 -1.18 115.95 120.77 1i1z h TRP 28 Ca -0.02 -0.03 -0.00 0.00 2.06 0.00 0.00 58.89 60.90 1i1z h TRP 28 Cb 1.26 -0.37 -0.01 0.00 -1.00 0.00 0.00 29.16 29.03 1i1z h TRP 28 CO 0.09 0.81 0.10 0.52 -3.56 0.00 0.00 178.44 176.40 1i1z h MET 29 N 1.19 0.22 -0.98 0.49 2.86 -0.85 -0.21 114.93 117.65 1i1z h MET 29 Ca 0.30 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.94 1i1z h MET 29 Cb 0.03 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 31.59 1i1z h MET 29 CO -0.05 0.18 0.64 0.00 1.06 0.00 0.00 176.91 178.75 1i1z h LEU 31 N 1.28 -0.30 -1.29 0.00 5.85 -0.77 -2.27 115.31 117.80 1i1z h LEU 31 Ca 0.37 -0.06 0.06 0.00 0.84 0.00 0.00 57.88 59.09 1i1z h LEU 31 Cb -0.08 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 40.98 1i1z h LEU 31 CO -0.10 -0.13 0.52 0.00 -0.34 0.00 0.00 178.44 178.38 1i1z h ALA 32 N 0.27 1.62 -0.44 1.25 0.00 -0.78 0.12 119.26 121.30 1i1z h ALA 32 Ca -0.04 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1i1z h ALA 32 Cb 0.34 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1i1z h ALA 32 CO 0.06 0.26 0.17 -0.22 0.00 0.00 0.00 179.25 179.52 1i1z h LYS 33 N 0.87 0.65 0.00 0.00 3.11 -1.08 -1.43 116.57 118.70 1i1z h LYS 33 Ca 0.34 -0.12 -0.09 0.00 -2.81 0.00 0.00 60.65 57.96 1i1z h LYS 33 Cb 0.21 -0.10 -0.02 0.00 -1.00 0.00 0.00 32.23 31.32 1i1z h LYS 33 CO -0.11 0.60 -0.80 -1.49 -2.81 0.00 0.00 179.45 174.84 1i1z h TRP 34 N 0.56 0.00 0.16 1.91 4.06 -1.02 -2.05 115.95 119.56 1i1z h TRP 34 Ca 0.14 0.00 -0.22 0.00 2.06 0.00 0.00 58.89 60.88 1i1z h TRP 34 Cb 0.20 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 28.38 1i1z h TRP 34 CO 0.00 0.38 -0.97 0.93 -3.56 0.00 0.00 178.44 175.22 1i1z h GLU 35 N 0.00 0.33 0.00 0.49 4.39 -0.92 -3.43 114.58 115.44 1i1z h GLU 35 Ca -0.05 -0.57 0.00 0.00 0.34 0.00 0.00 59.36 59.08 1i1z h GLU 35 Cb 1.34 0.21 0.00 0.00 -0.10 0.00 0.00 28.75 30.20 1i1z h GLU 35 CO 0.04 1.27 0.00 -1.13 -1.16 0.00 0.00 179.01 178.03 1i1z n SER 36 N -4.04 0.27 -1.15 1.42 3.41 -0.57 -4.85 113.62 108.10 1i1z n SER 36 Ca -0.15 -1.01 -0.11 0.00 -0.26 0.00 0.00 58.87 57.33 1i1z n SER 36 Cb 0.88 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.81 1i1z n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1i1z n GLY 37 N -0.01 0.17 2.34 5.00 0.00 -0.77 -2.24 105.19 109.68 1i1z n GLY 37 Ca 0.00 -0.45 -0.14 0.00 0.00 0.00 0.00 46.02 45.43 1i1z n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1i1z n TYR 38 N -3.76 -0.32 -3.53 1.61 0.53 -1.15 -4.79 117.16 105.76 1i1z n TYR 38 Ca -0.12 0.00 -0.40 0.00 -1.02 0.00 0.00 57.90 56.35 1i1z n TYR 38 Cb 0.55 -2.73 -0.11 0.00 -1.03 0.00 0.00 39.34 36.02 1i1z n TYR 38 CO 0.00 0.00 0.00 1.21 -1.02 0.00 0.00 176.86 177.05 1i1z s ASN 39 N -2.62 6.06 0.18 7.72 3.84 -0.95 -1.30 114.94 127.87 1i1z s ASN 39 Ca 0.00 -0.41 0.25 0.00 0.21 0.00 0.00 52.86 52.91 1i1z s ASN 39 Cb 0.00 -2.14 0.91 0.00 -0.55 0.00 0.00 41.25 39.47 1i1z s ASN 39 CO 0.00 -0.23 1.75 0.35 -2.79 0.00 0.00 177.10 176.18 1i1z n THR 40 N 5.11 0.63 1.04 -5.21 -2.24 0.17 -3.13 114.28 110.65 1i1z n THR 40 Ca -0.13 -0.04 0.12 0.00 -2.27 0.00 0.00 64.05 61.74 1i1z n THR 40 Cb 0.50 -0.80 0.10 0.00 -2.10 0.00 0.00 70.33 68.03 1i1z n THR 40 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1i1z n ARG 41 N -2.10 1.96 -1.71 -0.78 1.85 -1.26 -4.15 116.66 110.48 1i1z n ARG 41 Ca 0.04 -1.60 -0.42 0.00 -1.00 0.00 0.00 57.85 54.88 1i1z n ARG 41 Cb 0.33 -1.47 0.00 0.00 -1.05 0.00 0.00 32.46 30.28 1i1z n ARG 41 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1i1z n ALA 42 N 0.87 1.38 -2.95 2.89 0.00 -1.18 -4.77 120.51 116.75 1i1z n ALA 42 Ca 0.13 0.32 -0.10 0.00 0.00 0.00 0.00 53.44 53.79 1i1z n ALA 42 Cb 0.55 -2.27 -0.11 0.00 0.00 0.00 0.00 19.45 17.61 1i1z n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1i1z s THR 43 N -1.14 0.17 -0.15 0.00 -4.23 -1.26 -0.70 115.64 108.32 1i1z s THR 43 Ca 0.57 -0.84 -0.04 0.00 -1.18 0.00 0.00 61.69 60.20 1i1z s THR 43 Cb -0.54 -0.29 0.07 0.00 1.34 0.00 0.00 72.50 73.09 1i1z s THR 43 CO 0.61 -0.43 0.24 0.21 -0.54 0.00 0.00 174.62 174.71 1i1z s ASN 44 N -1.33 0.70 -0.01 3.99 2.47 -0.58 -4.97 114.94 115.21 1i1z s ASN 44 Ca -0.13 0.30 -0.26 0.00 0.42 0.00 0.00 52.86 53.19 1i1z s ASN 44 Cb -0.09 0.58 -0.04 0.00 -1.45 0.00 0.00 41.25 40.25 1i1z s ASN 44 CO -0.01 -0.27 0.80 -0.47 -3.72 0.00 0.00 177.10 173.43 1i1z s TYR 45 N 2.38 3.66 -0.69 0.43 6.14 -1.26 -0.89 117.35 127.12 1i1z s TYR 45 Ca 0.04 1.44 -0.12 0.00 0.64 0.00 0.00 57.07 59.08 1i1z s TYR 45 Cb -0.13 -2.89 0.18 0.00 0.42 0.00 0.00 41.96 39.53 1i1z s TYR 45 CO -0.10 0.13 0.60 -0.80 0.64 0.00 0.00 175.55 176.02 1i1z s ASN 46 N 0.55 6.23 0.58 4.32 0.01 0.17 -4.90 114.94 121.89 1i1z s ASN 46 Ca 0.42 -2.44 0.28 0.00 -0.71 0.00 0.00 52.86 50.40 1i1z s ASN 46 Cb -0.20 -2.12 1.74 0.00 0.41 0.00 0.00 41.25 41.09 1i1z s ASN 46 CO 0.22 -0.61 2.24 0.00 -1.51 0.00 0.00 177.10 177.45 1i1z h ALA 47 N 7.95 1.60 -0.23 0.60 0.00 -1.95 0.34 119.26 127.57 1i1z h ALA 47 Ca -0.04 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1i1z h ALA 47 Cb 1.04 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1i1z h ALA 47 CO 0.81 -0.01 -0.14 0.78 0.00 0.00 0.00 179.25 180.69 1i1z h GLY 48 N 0.00 0.42 0.00 0.00 0.00 -1.94 -3.31 103.07 98.24 1i1z h GLY 48 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1i1z h GLY 48 CO -0.00 0.26 0.00 2.09 0.00 0.00 0.00 176.54 178.89 1i1z n ASP 49 N -4.21 0.87 -0.64 0.19 5.75 -0.90 -5.01 116.55 112.60 1i1z n ASP 49 Ca 0.00 -1.38 -0.08 0.00 -0.01 0.00 0.00 54.79 53.32 1i1z n ASP 49 Cb 0.31 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.37 1i1z n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1i1z n ARG 50 N -0.19 -0.74 -3.47 0.11 1.74 0.11 -4.84 116.66 109.38 1i1z n ARG 50 Ca 0.00 0.75 -0.20 0.00 -0.77 0.00 0.00 57.85 57.62 1i1z n ARG 50 Cb 0.33 -4.64 -0.02 0.00 -1.02 0.00 0.00 32.46 27.11 1i1z n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1i1z s SER 51 N -2.74 5.12 0.02 0.55 1.04 -1.20 -4.53 113.70 111.97 1i1z s SER 51 Ca 0.00 -0.73 0.03 0.00 0.48 0.00 0.00 55.95 55.73 1i1z s SER 51 Cb 0.00 -0.48 -0.02 0.00 0.10 0.00 0.00 66.02 65.62 1i1z s SER 51 CO 0.00 -0.73 -0.09 -0.89 0.98 0.00 0.00 173.24 172.51 1i1z s THR 52 N -2.48 0.72 -0.21 2.02 2.01 -1.26 -0.66 115.64 115.79 1i1z s THR 52 Ca 0.49 -0.72 -0.10 0.00 0.31 0.00 0.00 61.69 61.67 1i1z s THR 52 Cb -0.04 -0.67 -0.05 0.00 0.01 0.00 0.00 72.50 71.75 1i1z s THR 52 CO 0.29 -0.03 0.13 -1.81 -0.69 0.00 0.00 174.62 172.51 1i1z s ASP 53 N -0.83 6.17 -0.06 3.53 1.01 -0.07 -0.40 116.67 126.03 1i1z s ASP 53 Ca -0.01 0.21 0.04 0.00 0.71 0.00 0.00 52.55 53.50 1i1z s ASP 53 Cb -0.06 -2.09 -0.00 0.00 1.01 0.00 0.00 42.92 41.78 1i1z s ASP 53 CO 0.00 0.16 -0.19 -0.31 0.21 0.00 0.00 175.17 175.05 1i1z s TYR 54 N 0.46 1.95 0.00 4.23 2.02 -0.15 -1.52 117.35 124.34 1i1z s TYR 54 Ca 0.08 -0.63 0.00 0.00 -0.37 0.00 0.00 57.07 56.15 1i1z s TYR 54 Cb -0.11 -1.31 0.00 0.00 -0.40 0.00 0.00 41.96 40.13 1i1z s TYR 54 CO -0.01 -0.23 0.00 0.41 -1.57 0.00 0.00 175.55 174.15 1i1z n GLY 55 N 3.26 -1.91 0.28 0.71 0.00 0.12 -1.79 105.19 105.85 1i1z n GLY 55 Ca -0.19 -1.70 0.05 0.00 0.00 0.00 0.00 46.02 44.19 1i1z n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1i1z h ILE 56 N 0.00 1.08 -0.21 -0.61 2.10 -1.71 -1.88 117.51 116.27 1i1z h ILE 56 Ca 0.00 -0.24 0.00 0.00 1.08 0.00 0.00 64.86 65.70 1i1z h ILE 56 Cb 0.00 0.85 0.00 0.00 -1.09 0.00 0.00 36.82 36.58 1i1z h ILE 56 CO 0.00 0.09 0.00 0.49 -1.08 0.00 0.00 178.15 177.65 1i1z n PHE 57 N -4.46 0.25 -3.74 2.19 0.99 -1.26 -3.97 117.46 107.47 1i1z n PHE 57 Ca -0.00 -0.15 -0.28 0.00 -0.00 0.00 0.00 57.45 57.02 1i1z n PHE 57 Cb 0.12 -0.00 0.03 0.00 -1.00 0.00 0.00 39.48 38.62 1i1z n PHE 57 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1i1z n GLN 58 N 1.20 -2.30 -2.60 -1.08 1.13 -0.71 -4.92 117.38 108.10 1i1z n GLN 58 Ca 0.15 0.48 -0.42 0.00 -1.94 0.00 0.00 57.00 55.26 1i1z n GLN 58 Cb 0.53 -4.42 -0.03 0.00 0.11 0.00 0.00 30.24 26.42 1i1z n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1i1z s ILE 59 N -3.62 4.56 0.12 5.09 1.01 -0.74 -4.41 121.20 123.21 1i1z s ILE 59 Ca 0.29 1.84 -0.30 0.00 0.00 0.00 0.00 60.65 62.48 1i1z s ILE 59 Cb -0.10 -4.18 -0.07 0.00 0.01 0.00 0.00 42.46 38.12 1i1z s ILE 59 CO 0.86 0.13 1.15 0.21 0.00 0.00 0.00 174.94 177.29 1i1z s ASN 60 N 1.05 7.17 0.39 3.58 3.84 -1.26 -0.98 114.94 128.72 1i1z s ASN 60 Ca 0.54 2.05 0.28 0.00 0.21 0.00 0.00 52.86 55.95 1i1z s ASN 60 Cb -0.24 -2.59 1.13 0.00 -0.55 0.00 0.00 41.25 39.00 1i1z s ASN 60 CO 0.28 -0.35 1.83 0.77 -2.79 0.00 0.00 177.10 176.84 1i1z h SER 61 N 5.94 0.00 -0.30 -4.21 4.64 -0.99 -1.76 113.55 116.88 1i1z h SER 61 Ca -0.43 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.85 1i1z h SER 61 Cb 1.21 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.28 1i1z h SER 61 CO 0.77 0.00 0.08 -0.09 -0.87 0.00 0.00 176.83 176.72 1i1z h ARG 62 N 0.00 0.56 0.00 4.77 2.43 -1.84 -3.39 114.38 116.92 1i1z h ARG 62 Ca 0.00 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 1i1z h ARG 62 Cb 0.46 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 1i1z h ARG 62 CO 0.00 0.53 -0.85 0.66 -1.51 0.00 0.00 179.97 178.79 1i1z n TYR 63 N -4.32 0.00 -0.06 2.20 4.02 -1.20 0.03 117.16 117.83 1i1z n TYR 63 Ca 0.02 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.71 1i1z n TYR 63 Cb 0.20 0.00 -0.13 0.00 -0.02 0.00 0.00 39.34 39.39 1i1z n TYR 63 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 1i1z n TRP 64 N -1.82 0.72 -4.23 -0.72 7.02 -0.67 -0.40 117.44 117.35 1i1z n TRP 64 Ca 0.00 0.16 -0.13 0.00 -1.02 0.00 0.00 57.50 56.51 1i1z n TRP 64 Cb 0.43 -1.09 -0.10 0.00 -2.42 0.00 0.00 31.31 28.12 1i1z n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1i1z s ASN 66 N -3.14 6.33 0.00 0.00 2.47 0.04 -4.64 114.94 116.02 1i1z s ASN 66 Ca 0.17 0.38 0.00 0.00 0.42 0.00 0.00 52.86 53.83 1i1z s ASN 66 Cb 0.04 -2.13 0.00 0.00 -1.45 0.00 0.00 41.25 37.71 1i1z s ASN 66 CO -0.00 0.16 0.59 -0.90 -3.72 0.00 0.00 177.10 173.23 1i1z n ASP 67 N 3.39 1.14 0.00 -4.21 5.68 -1.26 -1.27 116.55 120.03 1i1z n ASP 67 Ca -0.14 -1.27 0.00 0.00 -0.50 0.00 0.00 54.79 52.88 1i1z n ASP 67 Cb 0.52 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 1i1z n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1i1z n GLY 68 N -0.14 1.10 1.07 6.12 0.00 -1.26 -4.65 105.19 107.45 1i1z n GLY 68 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1i1z n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1i1z n LYS 69 N -0.09 2.40 -3.44 1.61 2.85 -1.26 -4.86 118.16 115.36 1i1z n LYS 69 Ca 0.00 -2.12 -0.38 0.00 -1.05 0.00 0.00 58.31 54.76 1i1z n LYS 69 Cb 0.00 -1.50 -0.08 0.00 -0.65 0.00 0.00 35.03 32.80 1i1z n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1i1z s THR 70 N -1.48 5.22 0.33 0.58 2.01 -1.26 -4.96 115.64 116.08 1i1z s THR 70 Ca 0.39 0.56 -0.28 0.00 0.31 0.00 0.00 61.69 62.67 1i1z s THR 70 Cb 0.22 -3.68 -0.10 0.00 0.01 0.00 0.00 72.50 68.96 1i1z s THR 70 CO 0.31 0.24 1.27 -2.84 -0.69 0.00 0.00 174.62 172.90 1i1z s PRO 71 N 1.48 4.35 -1.43 4.92 0.02 -1.26 -3.40 135.00 139.68 1i1z s PRO 71 Ca 0.16 2.12 -0.10 0.00 0.02 0.00 0.00 61.00 63.20 1i1z s PRO 71 Cb -0.15 -3.04 0.05 0.00 0.02 0.00 0.00 34.50 31.38 1i1z s PRO 71 CO 0.08 -0.16 1.02 0.41 -0.33 0.00 0.00 177.00 178.02 1i1z n GLY 72 N 0.84 -0.48 3.89 0.52 0.00 -1.26 -4.97 105.19 103.72 1i1z n GLY 72 Ca 0.00 0.20 -0.20 0.00 0.00 0.00 0.00 46.02 46.02 1i1z n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i1z s ALA 73 N -3.35 4.06 0.41 4.61 0.00 -1.22 -4.98 121.76 121.28 1i1z s ALA 73 Ca 0.53 -1.78 0.04 0.00 0.00 0.00 0.00 51.96 50.74 1i1z s ALA 73 Cb -0.25 -1.15 -0.04 0.00 0.00 0.00 0.00 23.12 21.68 1i1z s ALA 73 CO 0.79 -0.16 0.06 0.14 0.00 0.00 0.00 175.76 176.59 1i1z s VAL 74 N -2.40 1.11 -0.44 0.00 -7.23 0.10 -4.99 120.40 106.55 1i1z s VAL 74 Ca 0.47 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.70 1i1z s VAL 74 Cb -0.05 -2.53 0.22 0.00 0.56 0.00 0.00 36.38 34.58 1i1z s VAL 74 CO 0.28 0.00 0.49 -3.20 -0.31 0.00 0.00 175.10 172.36 1i1z n ASN 75 N -1.07 0.54 0.17 4.85 5.15 -1.22 -3.73 115.26 119.95 1i1z n ASN 75 Ca -0.08 -2.71 0.06 0.00 -0.60 0.00 0.00 54.58 51.25 1i1z n ASN 75 Cb 0.66 -0.62 0.54 0.00 -0.53 0.00 0.00 39.78 39.83 1i1z n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1i1z h ALA 76 N 4.62 1.82 -0.00 5.20 0.00 -0.69 -0.40 119.26 129.81 1i1z h ALA 76 Ca 0.15 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1i1z h ALA 76 Cb 0.86 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1i1z h ALA 76 CO 0.49 0.14 -0.02 0.00 0.00 0.00 0.00 179.25 179.87 1i1z n HIS 78 N -1.08 -2.19 -4.11 0.00 -0.00 -0.16 -4.99 115.22 102.69 1i1z n HIS 78 Ca 0.18 0.90 -0.08 0.00 -0.00 0.00 0.00 57.72 58.72 1i1z n HIS 78 Cb 0.20 -4.51 -0.10 0.00 -0.00 0.00 0.00 29.99 25.58 1i1z n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1i1z s LEU 79 N -6.85 2.48 0.35 2.41 1.43 -1.26 -5.06 118.68 112.18 1i1z s LEU 79 Ca 0.24 -0.97 -0.25 0.00 -1.03 0.00 0.00 54.13 52.11 1i1z s LEU 79 Cb -0.12 0.12 -0.10 0.00 0.03 0.00 0.00 46.19 46.13 1i1z s LEU 79 CO 0.79 -0.55 0.98 -0.55 0.23 0.00 0.00 176.35 177.25 1i1z s SER 80 N -2.87 7.14 0.62 2.29 0.15 -1.26 -0.78 113.70 119.00 1i1z s SER 80 Ca 0.07 1.90 0.40 0.00 0.70 0.00 0.00 55.95 59.01 1i1z s SER 80 Cb 0.06 -2.58 2.07 0.00 -1.71 0.00 0.00 66.02 63.86 1i1z s SER 80 CO -0.08 -0.21 2.26 0.00 1.20 0.00 0.00 173.24 176.40 1i1z h SER 82 N 0.00 0.63 -0.16 0.00 0.87 -1.91 -2.31 113.55 110.67 1i1z h SER 82 Ca -0.00 -0.03 0.05 0.00 -1.23 0.00 0.00 61.79 60.58 1i1z h SER 82 Cb 0.14 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 61.94 1i1z h SER 82 CO 0.00 0.48 0.19 0.00 -0.53 0.00 0.00 176.83 176.97 1i1z h ALA 83 N 1.63 1.75 -0.26 6.23 0.00 -1.53 -0.84 119.26 126.26 1i1z h ALA 83 Ca 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1i1z h ALA 83 Cb -0.04 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1i1z h ALA 83 CO -0.04 -0.28 0.00 1.28 0.00 0.00 0.00 179.25 180.21 1i1z n LEU 84 N -3.75 1.59 -0.34 0.00 4.77 -0.87 -3.45 117.00 114.95 1i1z n LEU 84 Ca 0.01 -0.76 0.03 0.00 -0.03 0.00 0.00 56.01 55.26 1i1z n LEU 84 Cb 0.31 -0.17 0.07 0.00 -2.33 0.00 0.00 43.42 41.30 1i1z n LEU 84 CO 0.27 0.38 0.53 0.18 -1.33 0.00 0.00 177.39 177.41 1i1z n LEU 85 N 0.33 2.32 -4.82 2.23 4.77 -0.32 -3.64 117.00 117.87 1i1z n LEU 85 Ca 0.12 -1.80 -0.31 0.00 -0.03 0.00 0.00 56.01 53.99 1i1z n LEU 85 Cb 0.27 -0.10 0.05 0.00 -2.33 0.00 0.00 43.42 41.30 1i1z n LEU 85 CO 0.09 0.57 0.71 -0.62 -1.33 0.00 0.00 177.39 176.81 1i1z s ASP 86 N -0.90 5.40 0.39 -1.43 3.68 -1.22 -4.51 116.67 118.07 1i1z s ASP 86 Ca 0.12 1.58 0.21 0.00 2.13 0.00 0.00 52.55 56.59 1i1z s ASP 86 Cb 0.06 -2.47 0.40 0.00 -1.45 0.00 0.00 42.92 39.47 1i1z s ASP 86 CO 0.09 -1.42 1.61 0.44 0.13 0.00 0.00 175.17 176.01 1i1z h ASP 87 N -0.70 0.00 -3.48 -0.34 3.32 -1.93 -3.42 116.42 109.87 1i1z h ASP 87 Ca -0.44 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.00 1i1z h ASP 87 Cb 1.21 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.65 1i1z h ASP 87 CO 0.57 0.23 0.10 0.21 -1.72 0.00 0.00 179.24 178.63 1i1z s ASN 88 N -6.26 6.58 0.00 6.45 3.84 -1.26 -4.89 114.94 119.39 1i1z s ASN 88 Ca 0.04 0.70 0.12 0.00 0.21 0.00 0.00 52.86 53.94 1i1z s ASN 88 Cb 0.07 -2.33 0.38 0.00 -0.55 0.00 0.00 41.25 38.83 1i1z s ASN 88 CO 0.68 -0.31 1.30 2.30 -2.79 0.00 0.00 177.10 178.28 1i1z n ILE 89 N 5.00 0.41 -0.20 -5.21 -5.35 -1.26 -4.49 119.36 108.26 1i1z n ILE 89 Ca -0.02 -0.43 -0.00 0.00 -0.27 0.00 0.00 62.75 62.03 1i1z n ILE 89 Cb 0.49 0.24 0.08 0.00 -1.74 0.00 0.00 39.64 38.72 1i1z n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1i1z h ALA 90 N 3.69 0.50 -0.01 -1.28 0.00 -1.95 0.38 119.26 120.59 1i1z h ALA 90 Ca 0.00 0.21 -0.16 0.00 0.00 0.00 0.00 54.91 54.96 1i1z h ALA 90 Cb 0.45 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1i1z h ALA 90 CO 0.00 -0.42 -0.74 -0.44 0.00 0.00 0.00 179.25 177.65 1i1z h ASP 91 N 0.05 0.10 -0.47 0.00 3.45 -1.87 -1.15 116.42 116.53 1i1z h ASP 91 Ca 0.31 -0.07 -0.10 0.00 0.43 0.00 0.00 57.03 57.60 1i1z h ASP 91 Cb 0.48 -0.03 -0.02 0.00 -0.56 0.00 0.00 39.33 39.20 1i1z h ASP 91 CO -0.58 0.81 -0.06 0.00 -1.57 0.00 0.00 179.24 177.84 1i1z h ALA 92 N 1.19 0.91 -0.33 3.45 0.00 -1.52 -1.82 119.26 121.14 1i1z h ALA 92 Ca -0.02 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.50 1i1z h ALA 92 Cb 1.31 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1i1z h ALA 92 CO 0.10 0.64 -0.10 0.28 0.00 0.00 0.00 179.25 180.17 1i1z h VAL 93 N 0.84 1.28 -0.11 0.00 2.07 -0.76 -0.11 116.25 119.46 1i1z h VAL 93 Ca 0.14 -1.18 -0.02 0.00 0.82 0.00 0.00 66.70 66.47 1i1z h VAL 93 Cb 0.58 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 1i1z h VAL 93 CO 0.04 0.38 -0.03 0.00 0.02 0.00 0.00 177.57 177.97 1i1z h ALA 94 N 0.80 1.74 0.18 1.67 0.00 -1.06 -0.55 119.26 122.04 1i1z h ALA 94 Ca 0.08 -0.10 -0.31 0.00 0.00 0.00 0.00 54.91 54.58 1i1z h ALA 94 Cb 0.61 -0.06 0.03 0.00 0.00 0.00 0.00 17.79 18.38 1i1z h ALA 94 CO 0.04 0.20 -1.32 0.00 0.00 0.00 0.00 179.25 178.17 1i1z h ALA 96 N 0.21 1.68 -0.49 0.00 0.00 -0.52 0.71 119.26 120.85 1i1z h ALA 96 Ca -0.22 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 1i1z h ALA 96 Cb 2.01 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.63 1i1z h ALA 96 CO 0.25 0.27 0.04 0.87 0.00 0.00 0.00 179.25 180.69 1i1z h LYS 97 N 0.47 0.79 -0.49 0.00 1.57 -1.06 -2.32 116.57 115.52 1i1z h LYS 97 Ca 0.12 -0.19 -0.12 0.00 -1.87 0.00 0.00 60.65 58.59 1i1z h LYS 97 Cb 0.02 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 1i1z h LYS 97 CO -0.02 0.76 -0.17 -0.09 -0.57 0.00 0.00 179.45 179.37 1i1z h ARG 98 N 0.74 0.96 -0.55 3.15 9.65 -0.63 -2.95 114.38 124.75 1i1z h ARG 98 Ca 0.15 -0.38 -0.00 0.00 -1.10 0.00 0.00 59.98 58.65 1i1z h ARG 98 Cb 0.39 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 28.89 1i1z h ARG 98 CO 0.01 1.05 0.33 0.28 2.80 0.00 0.00 179.97 184.43 1i1z h VAL 99 N 0.84 1.17 0.00 0.20 2.07 -0.44 -2.68 116.25 117.41 1i1z h VAL 99 Ca 0.12 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1i1z h VAL 99 Cb 0.73 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1i1z h VAL 99 CO 0.06 0.17 0.00 1.33 0.02 0.00 0.00 177.57 179.15 1i1z n VAL 100 N -4.65 0.24 1.25 2.57 0.24 -0.92 -2.36 118.33 114.70 1i1z n VAL 100 Ca 0.03 0.06 0.14 0.00 -2.04 0.00 0.00 64.34 62.53 1i1z n VAL 100 Cb 0.06 -0.73 0.61 0.00 -1.47 0.00 0.00 33.84 32.31 1i1z n VAL 100 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1i1z n ARG 101 N -1.18 0.34 -2.64 7.34 1.74 -1.01 -4.26 116.66 116.99 1i1z n ARG 101 Ca 0.12 -0.07 -0.25 0.00 -0.77 0.00 0.00 57.85 56.88 1i1z n ARG 101 Cb 0.13 -1.50 0.02 0.00 -1.02 0.00 0.00 32.46 30.09 1i1z n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1i1z s ASP 102 N -2.71 5.68 0.23 0.55 -0.00 -0.99 -4.96 116.67 114.45 1i1z s ASP 102 Ca 0.22 0.52 -0.17 0.00 -0.00 0.00 0.00 52.55 53.12 1i1z s ASP 102 Cb 0.20 -1.61 0.24 0.00 -0.00 0.00 0.00 42.92 41.75 1i1z s ASP 102 CO 0.51 -0.92 1.56 -0.65 -0.00 0.00 0.00 175.17 175.67 1i1z h PRO 103 N 0.06 -0.02 0.00 8.23 0.11 -1.88 -0.93 132.00 137.57 1i1z h PRO 103 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1i1z h PRO 103 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1i1z h PRO 103 CO 0.59 -0.01 0.00 1.96 -0.21 0.00 0.00 178.00 180.33 1i1z h GLN 104 N -0.02 0.00 0.00 1.05 4.20 -1.92 -3.48 115.11 114.95 1i1z h GLN 104 Ca 0.34 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.05 1i1z h GLN 104 Cb 0.60 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.38 1i1z h GLN 104 CO -0.96 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 177.61 1i1z n GLY 105 N -1.01 2.15 0.24 3.46 0.00 -0.36 -1.25 105.19 108.41 1i1z n GLY 105 Ca -0.01 -0.39 0.16 0.00 0.00 0.00 0.00 46.02 45.78 1i1z n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1i1z h ILE 106 N 0.00 0.00 0.00 -0.61 6.09 -1.91 -2.40 117.51 118.68 1i1z h ILE 106 Ca 0.00 -0.06 0.00 0.00 -1.37 0.00 0.00 64.86 63.43 1i1z h ILE 106 Cb 0.00 0.79 0.00 0.00 0.47 0.00 0.00 36.82 38.08 1i1z h ILE 106 CO 0.00 0.00 0.00 0.54 -3.07 0.00 0.00 178.15 175.62 1i1z n ARG 107 N -2.63 0.07 0.19 2.19 1.74 -0.38 -2.72 116.66 115.12 1i1z n ARG 107 Ca -0.02 0.34 0.15 0.00 -0.77 0.00 0.00 57.85 57.55 1i1z n ARG 107 Cb 0.08 -1.64 0.77 0.00 -1.02 0.00 0.00 32.46 30.65 1i1z n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1i1z h ALA 108 N 2.37 1.95 -2.49 7.54 0.00 -1.50 -3.37 119.26 123.76 1i1z h ALA 108 Ca 0.00 -0.01 -0.67 0.00 0.00 0.00 0.00 54.91 54.24 1i1z h ALA 108 Cb 0.26 0.01 -0.17 0.00 0.00 0.00 0.00 17.79 17.89 1i1z h ALA 108 CO 0.00 -0.25 -0.20 -1.58 0.00 0.00 0.00 179.25 177.22 1i1z s TRP 109 N -4.82 3.19 0.50 0.00 0.51 -1.10 -4.94 118.94 112.28 1i1z s TRP 109 Ca -0.05 -0.09 0.15 0.00 -2.12 0.00 0.00 56.10 53.99 1i1z s TRP 109 Cb 0.17 -2.81 1.21 0.00 -0.81 0.00 0.00 33.47 31.23 1i1z s TRP 109 CO 0.61 -0.55 2.13 -0.24 -0.51 0.00 0.00 176.95 178.40 1i1z h VAL 110 N 5.62 1.01 0.00 4.03 3.04 -1.88 -0.88 116.25 127.18 1i1z h VAL 110 Ca -0.28 -0.03 -0.05 0.00 -1.01 0.00 0.00 66.70 65.33 1i1z h VAL 110 Cb 1.13 0.91 -0.01 0.00 -2.01 0.00 0.00 31.29 31.31 1i1z h VAL 110 CO 0.75 0.02 -0.24 0.00 -1.01 0.00 0.00 177.57 177.08 1i1z h ALA 111 N 1.95 1.41 -0.46 3.17 0.00 -1.93 -1.21 119.26 122.19 1i1z h ALA 111 Ca 0.03 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 1i1z h ALA 111 Cb 0.03 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1i1z h ALA 111 CO -0.01 0.30 0.09 2.35 0.00 0.00 0.00 179.25 181.99 1i1z h TRP 112 N 0.00 0.79 -0.47 0.00 7.01 -1.47 0.79 115.95 122.60 1i1z h TRP 112 Ca -0.00 -0.10 -0.01 0.00 2.11 0.00 0.00 58.89 60.89 1i1z h TRP 112 Cb 0.49 -0.22 -0.02 0.00 -2.10 0.00 0.00 29.16 27.31 1i1z h TRP 112 CO 0.00 0.73 0.26 0.00 -2.79 0.00 0.00 178.44 176.64 1i1z h ARG 113 N 0.61 0.66 -0.38 2.65 3.08 -1.40 0.32 114.38 119.93 1i1z h ARG 113 Ca 0.14 -0.08 -0.09 0.00 0.07 0.00 0.00 59.98 60.03 1i1z h ARG 113 Cb 0.35 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 1i1z h ARG 113 CO 0.01 0.52 -0.10 -0.91 -1.07 0.00 0.00 179.97 178.41 1i1z h ASN 114 N 0.63 0.75 0.00 7.04 2.35 -1.01 -3.35 115.58 121.99 1i1z h ASN 114 Ca 0.17 -0.37 0.00 0.00 -0.55 0.00 0.00 56.30 55.55 1i1z h ASN 114 Cb 0.05 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.21 1i1z h ASN 114 CO -0.03 0.95 -0.78 0.54 -1.65 0.00 0.00 177.43 176.46 1i1z n ARG 115 N -4.35 2.47 0.00 0.81 5.12 0.25 -4.83 116.66 116.13 1i1z n ARG 115 Ca -0.02 -0.02 0.00 0.00 -1.93 0.00 0.00 57.85 55.88 1i1z n ARG 115 Cb 0.36 -1.12 0.00 0.00 -1.16 0.00 0.00 32.46 30.54 1i1z n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1i1z s GLN 117 N -1.82 4.14 -1.60 0.00 0.74 -0.24 -2.34 119.66 118.55 1i1z s GLN 117 Ca 0.00 2.54 -0.01 0.00 0.05 0.00 0.00 55.36 57.94 1i1z s GLN 117 Cb 0.00 -3.06 0.00 0.00 1.10 0.00 0.00 33.01 31.05 1i1z s GLN 117 CO 0.00 -0.66 0.16 0.09 -0.55 0.00 0.00 175.29 174.33 1i1z n ASN 118 N 3.10 -5.64 -4.55 6.67 5.03 -1.26 -4.98 115.26 113.63 1i1z n ASN 118 Ca 0.12 -0.09 -0.26 0.00 0.87 0.00 0.00 54.58 55.22 1i1z n ASN 118 Cb 0.37 -4.61 -0.11 0.00 -1.02 0.00 0.00 39.78 34.41 1i1z n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1i1z s ARG 119 N -5.15 1.83 -0.59 3.52 1.81 -0.99 -5.07 118.95 114.32 1i1z s ARG 119 Ca 0.08 -2.01 -0.25 0.00 -1.72 0.00 0.00 55.73 51.84 1i1z s ARG 119 Cb -0.04 -1.47 0.04 0.00 -0.45 0.00 0.00 34.95 33.04 1i1z s ARG 119 CO 0.10 -0.02 1.02 0.34 -0.68 0.00 0.00 175.30 176.05 1i1z s ASP 120 N -3.62 6.32 -0.06 0.23 2.15 -1.26 -4.84 116.67 115.58 1i1z s ASP 120 Ca 0.34 -0.37 0.19 0.00 0.43 0.00 0.00 52.55 53.15 1i1z s ASP 120 Cb 0.08 -2.47 0.67 0.00 -0.30 0.00 0.00 42.92 40.90 1i1z s ASP 120 CO 0.17 -1.36 1.57 1.33 -0.17 0.00 0.00 175.17 176.71 1i1z n VAL 121 N 6.26 1.41 0.01 1.11 0.24 -1.26 -4.45 118.33 121.65 1i1z n VAL 121 Ca 0.02 -1.05 0.07 0.00 -2.04 0.00 0.00 64.34 61.33 1i1z n VAL 121 Cb 0.48 0.26 0.48 0.00 -1.47 0.00 0.00 33.84 33.58 1i1z n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1i1z h ARG 122 N 4.05 0.43 -0.92 7.34 3.08 -1.93 -2.70 114.38 123.74 1i1z h ARG 122 Ca 0.00 -0.03 0.17 0.00 0.07 0.00 0.00 59.98 60.20 1i1z h ARG 122 Cb 1.22 -0.10 -0.08 0.00 0.08 0.00 0.00 29.97 31.09 1i1z h ARG 122 CO 0.13 0.28 0.59 -0.56 -1.07 0.00 0.00 179.97 179.34 1i1z h GLN 123 N 0.44 0.59 -0.16 0.04 3.07 -1.98 -1.97 115.11 115.14 1i1z h GLN 123 Ca 0.16 -0.04 0.01 0.00 0.09 0.00 0.00 58.65 58.88 1i1z h GLN 123 Cb 0.11 -0.13 -0.01 0.00 0.08 0.00 0.00 27.48 27.53 1i1z h GLN 123 CO -0.04 0.39 0.11 1.88 0.09 0.00 0.00 178.83 181.26 1i1z h TYR 124 N 0.60 0.16 -0.11 0.06 0.05 -1.82 -2.80 116.97 113.12 1i1z h TYR 124 Ca 0.48 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.26 1i1z h TYR 124 Cb 0.91 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 38.60 1i1z h TYR 124 CO -0.00 0.10 0.00 1.33 -1.05 0.00 0.00 178.16 178.53 1i1z n VAL 125 N -4.51 0.48 -1.77 -2.88 0.24 -0.83 -4.85 118.33 104.22 1i1z n VAL 125 Ca -0.00 -0.74 -0.42 0.00 -2.04 0.00 0.00 64.34 61.14 1i1z n VAL 125 Cb 0.12 0.83 -0.03 0.00 -1.47 0.00 0.00 33.84 33.29 1i1z n VAL 125 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1i1z s GLN 126 N -0.77 4.14 0.00 7.34 -2.07 -0.80 -2.64 119.66 124.85 1i1z s GLN 126 Ca 0.11 2.57 0.00 0.00 -1.82 0.00 0.00 55.36 56.22 1i1z s GLN 126 Cb 0.06 -3.07 0.00 0.00 -1.09 0.00 0.00 33.01 28.91 1i1z s GLN 126 CO 0.09 -0.71 0.00 0.41 -1.32 0.00 0.00 175.29 173.76 1i1z n GLY 127 N 3.61 0.55 0.24 2.60 0.00 -1.26 -4.91 105.19 106.02 1i1z n GLY 127 Ca 0.14 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.30 1i1z n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i1z n GLY 129 N 1.29 0.42 0.39 0.00 0.00 -1.26 -4.82 105.19 101.21 1i1z n GLY 129 Ca 0.14 -0.95 0.05 0.00 0.00 0.00 0.00 46.02 45.26 1i1z n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65