#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3exd s VAL 2 N 0.00 5.21 0.46 3.15 1.01 -1.26 -0.68 120.40 128.29 3exd s VAL 2 Ca 0.00 -0.45 -0.21 0.00 0.00 0.00 0.00 61.98 61.32 3exd s VAL 2 Cb 0.00 -3.91 -0.10 0.00 0.00 0.00 0.00 36.38 32.37 3exd s VAL 2 CO 0.00 -0.27 1.00 -0.36 0.00 0.00 0.00 175.10 175.47 3exd s PHE 3 N 1.83 3.15 0.68 5.22 0.08 -0.01 -4.99 117.98 123.95 3exd s PHE 3 Ca 0.07 1.60 -0.11 0.00 0.12 0.00 0.00 56.93 58.61 3exd s PHE 3 Cb -0.18 -2.97 -0.00 0.00 -0.57 0.00 0.00 43.02 39.30 3exd s PHE 3 CO 0.11 -0.49 1.05 0.20 -0.10 0.00 0.00 175.22 176.00 3exd s GLY 4 N -2.05 1.66 0.09 4.36 0.00 -1.26 -4.83 107.32 105.29 3exd s GLY 4 Ca 0.64 0.02 -0.31 0.00 0.00 0.00 0.00 44.72 45.07 3exd s GLY 4 CO 0.17 0.33 1.62 -0.09 0.00 0.00 0.00 173.10 175.12 3exd h ARG 5 N -0.63 -0.72 -0.09 2.90 2.43 -1.97 -0.12 114.38 116.17 3exd h ARG 5 Ca -0.44 0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 58.67 3exd h ARG 5 Cb 1.21 0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.91 3exd h ARG 5 CO 0.58 -0.48 -0.45 0.00 -1.51 0.00 0.00 179.97 178.11 3exd h GLU 7 N 0.18 0.55 -0.46 0.00 4.81 -1.90 -0.88 114.58 116.88 3exd h GLU 7 Ca 0.01 -0.03 -0.14 0.00 -0.13 0.00 0.00 59.36 59.07 3exd h GLU 7 Cb 0.87 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.11 3exd h GLU 7 CO 0.07 0.36 -0.25 1.25 -0.73 0.00 0.00 179.01 179.71 3exd h LEU 8 N 0.56 1.01 -0.46 1.64 5.85 -0.82 -1.85 115.31 121.24 3exd h LEU 8 Ca 0.19 -0.40 0.07 0.00 0.84 0.00 0.00 57.88 58.58 3exd h LEU 8 Cb 0.02 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 40.71 3exd h LEU 8 CO -0.09 1.20 0.13 0.00 -0.34 0.00 0.00 178.44 179.34 3exd h ALA 9 N 0.86 0.54 -0.48 1.25 0.00 -0.99 0.61 119.26 121.05 3exd h ALA 9 Ca 0.10 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 3exd h ALA 9 Cb 0.83 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 3exd h ALA 9 CO 0.07 -0.27 0.16 0.00 0.00 0.00 0.00 179.25 179.21 3exd h ALA 10 N 1.33 0.63 -0.66 0.00 0.00 -0.99 -1.09 119.26 118.49 3exd h ALA 10 Ca 0.23 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3exd h ALA 10 Cb 0.26 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3exd h ALA 10 CO -0.26 0.28 0.27 0.00 0.00 0.00 0.00 179.25 179.53 3exd h ALA 11 N 1.02 0.85 -0.84 0.00 0.00 -0.92 0.31 119.26 119.68 3exd h ALA 11 Ca 0.16 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3exd h ALA 11 Cb 0.25 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3exd h ALA 11 CO -0.01 0.47 0.49 0.52 0.00 0.00 0.00 179.25 180.72 3exd h MET 12 N 0.93 1.15 -0.43 0.00 2.86 -0.69 -1.96 114.93 116.79 3exd h MET 12 Ca 0.22 -0.12 -0.07 0.00 -2.06 0.00 0.00 59.70 57.67 3exd h MET 12 Cb 0.20 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 31.61 3exd h MET 12 CO -0.02 0.83 -0.01 -0.22 1.06 0.00 0.00 176.91 178.55 3exd h LYS 13 N 1.16 0.77 -0.15 1.72 3.64 -0.85 -1.19 116.57 121.67 3exd h LYS 13 Ca 0.30 -0.25 0.01 0.00 -1.27 0.00 0.00 60.65 59.45 3exd h LYS 13 Cb -0.02 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 3exd h LYS 13 CO -0.05 0.84 0.10 -0.09 -2.27 0.00 0.00 179.45 177.98 3exd h ARG 14 N 0.61 0.13 -0.56 1.90 2.43 -0.63 -1.07 114.38 117.20 3exd h ARG 14 Ca 0.12 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 3exd h ARG 14 Cb 0.50 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 3exd h ARG 14 CO 0.02 0.09 0.00 0.72 -1.51 0.00 0.00 179.97 179.29 3exd n HIS 15 N -4.51 0.85 -1.32 2.20 8.25 -0.76 -4.93 115.22 114.98 3exd n HIS 15 Ca -0.00 -0.38 -0.01 0.00 -0.26 0.00 0.00 57.72 57.07 3exd n HIS 15 Cb 0.13 -0.07 -0.00 0.00 1.12 0.00 0.00 29.99 31.16 3exd n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3exd n GLY 16 N 1.18 0.41 0.16 -1.41 0.00 -0.40 -4.94 105.19 100.18 3exd n GLY 16 Ca 0.18 -0.99 0.10 0.00 0.00 0.00 0.00 46.02 45.31 3exd n GLY 16 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3exd h LEU 17 N 0.00 0.00 -9.22 0.99 5.85 -1.41 -3.41 115.31 108.11 3exd h LEU 17 Ca -0.02 0.00 -0.55 0.00 0.84 0.00 0.00 57.88 58.15 3exd h LEU 17 Cb 0.35 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 3exd h LEU 17 CO 0.03 0.07 1.14 1.51 -0.34 0.00 0.00 178.44 180.85 3exd s ASP 18 N -5.80 6.51 -0.65 1.25 -4.77 -1.26 -1.55 116.67 110.41 3exd s ASP 18 Ca 0.03 2.16 0.00 0.00 -3.30 0.00 0.00 52.55 51.44 3exd s ASP 18 Cb 0.08 -2.53 0.00 0.00 -1.09 0.00 0.00 42.92 39.37 3exd s ASP 18 CO 0.74 -1.07 0.00 -3.20 0.70 0.00 0.00 175.17 172.34 3exd n ASN 19 N 7.72 -4.73 -4.71 2.11 4.05 0.03 -4.88 115.26 114.85 3exd n ASN 19 Ca 0.19 0.15 -0.42 0.00 0.45 0.00 0.00 54.58 54.95 3exd n ASN 19 Cb 0.43 -2.77 -0.03 0.00 1.23 0.00 0.00 39.78 38.64 3exd n ASN 19 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 177.26 173.74 3exd s TYR 20 N -1.90 2.82 -1.37 1.20 5.04 -0.59 -1.15 117.35 121.40 3exd s TYR 20 Ca 0.00 0.50 0.00 0.00 -2.44 0.00 0.00 57.07 55.13 3exd s TYR 20 Cb 0.00 -3.95 0.00 0.00 0.35 0.00 0.00 41.96 38.36 3exd s TYR 20 CO 0.00 -3.61 0.00 0.54 -1.34 0.00 0.00 175.55 171.14 3exd n ARG 21 N 4.58 -1.73 -0.70 4.97 5.12 -1.26 -1.52 116.66 126.12 3exd n ARG 21 Ca 0.15 0.77 0.00 0.00 -1.93 0.00 0.00 57.85 56.83 3exd n ARG 21 Cb 0.39 -5.22 0.00 0.00 -1.16 0.00 0.00 32.46 26.47 3exd n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3exd n GLY 22 N -0.58 0.72 3.51 -0.13 0.00 -0.30 -5.02 105.19 103.39 3exd n GLY 22 Ca -0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 3exd n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3exd s TYR 23 N -2.48 3.18 0.83 1.61 2.02 -0.57 -4.89 117.35 117.04 3exd s TYR 23 Ca 0.00 -0.20 -0.13 0.00 -0.37 0.00 0.00 57.07 56.38 3exd s TYR 23 Cb 0.00 -2.85 0.10 0.00 -0.40 0.00 0.00 41.96 38.81 3exd s TYR 23 CO 0.00 -0.61 1.19 -1.54 -1.57 0.00 0.00 175.55 173.02 3exd s SER 24 N 1.79 3.48 0.32 2.29 1.04 -1.26 -0.79 113.70 120.56 3exd s SER 24 Ca 0.13 2.31 0.08 0.00 0.48 0.00 0.00 55.95 58.95 3exd s SER 24 Cb -0.17 -2.58 0.81 0.00 0.10 0.00 0.00 66.02 64.19 3exd s SER 24 CO 0.13 -2.74 1.76 0.25 0.98 0.00 0.00 173.24 173.63 3exd h LEU 25 N -1.11 0.73 -1.50 2.42 5.85 -1.90 -0.78 115.31 119.02 3exd h LEU 25 Ca -0.45 0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.38 3exd h LEU 25 Cb 1.29 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.27 3exd h LEU 25 CO 0.45 0.21 0.34 1.23 -0.34 0.00 0.00 178.44 180.33 3exd h GLY 26 N 0.68 0.71 1.00 3.75 0.00 -1.91 -0.81 103.07 106.49 3exd h GLY 26 Ca 0.60 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.66 3exd h GLY 26 CO -0.40 0.26 0.33 3.43 0.00 0.00 0.00 176.54 180.16 3exd h ASN 27 N 0.68 0.61 -0.60 0.19 2.35 -1.36 0.03 115.58 117.48 3exd h ASN 27 Ca 0.19 -0.04 -0.09 0.00 -0.55 0.00 0.00 56.30 55.81 3exd h ASN 27 Cb -0.07 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.12 3exd h ASN 27 CO -0.04 0.46 0.03 -0.50 -1.65 0.00 0.00 177.43 175.73 3exd h TRP 28 N 0.70 1.13 -0.34 1.19 4.06 -1.32 -1.23 115.95 120.14 3exd h TRP 28 Ca 0.19 -0.19 -0.08 0.00 2.06 0.00 0.00 58.89 60.87 3exd h TRP 28 Cb -0.05 -0.30 -0.01 0.00 -1.00 0.00 0.00 29.16 27.80 3exd h TRP 28 CO -0.03 0.99 -0.10 0.28 -3.56 0.00 0.00 178.44 176.02 3exd h VAL 29 N 0.94 1.28 -0.46 1.49 2.07 -1.04 -1.45 116.25 119.08 3exd h VAL 29 Ca 0.17 -1.17 0.03 0.00 0.82 0.00 0.00 66.70 66.55 3exd h VAL 29 Cb 0.52 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.59 3exd h VAL 29 CO 0.03 0.38 0.27 0.00 0.02 0.00 0.00 177.57 178.26 3exd h ALA 31 N 1.22 0.67 -0.62 0.00 0.00 -1.10 -2.42 119.26 117.00 3exd h ALA 31 Ca 0.19 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 3exd h ALA 31 Cb 0.04 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3exd h ALA 31 CO -0.10 0.22 0.16 0.00 0.00 0.00 0.00 179.25 179.54 3exd h ALA 32 N 1.10 1.12 -0.20 0.00 0.00 -0.80 0.31 119.26 120.79 3exd h ALA 32 Ca 0.18 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.91 3exd h ALA 32 Cb 0.10 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 3exd h ALA 32 CO -0.02 0.60 -0.05 -0.22 0.00 0.00 0.00 179.25 179.55 3exd h LYS 33 N 0.92 0.00 0.00 0.00 1.63 -0.47 -1.11 116.57 117.55 3exd h LYS 33 Ca 0.20 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.00 3exd h LYS 33 Cb 0.31 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.94 3exd h LYS 33 CO -0.00 0.00 -0.56 0.74 -3.45 0.00 0.00 179.45 176.18 3exd h PHE 34 N 0.00 0.00 0.04 1.91 0.04 -1.21 0.70 116.94 118.42 3exd h PHE 34 Ca 0.09 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.70 3exd h PHE 34 Cb 0.14 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.31 3exd h PHE 34 CO -0.22 0.00 -0.66 0.93 -0.60 0.00 0.00 178.31 177.76 3exd h GLU 35 N 0.00 0.38 0.00 1.51 4.39 -0.83 -3.43 114.58 116.60 3exd h GLU 35 Ca 0.00 -0.46 0.00 0.00 0.34 0.00 0.00 59.36 59.24 3exd h GLU 35 Cb 0.97 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.77 3exd h GLU 35 CO 0.00 1.14 0.00 -1.13 -1.16 0.00 0.00 179.01 177.86 3exd n SER 36 N -4.19 0.20 -2.90 1.42 3.41 -0.44 -4.83 113.62 106.28 3exd n SER 36 Ca -0.11 -0.75 -0.19 0.00 -0.26 0.00 0.00 58.87 57.55 3exd n SER 36 Cb 0.71 0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.75 3exd n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3exd n ASN 37 N -0.08 -4.55 -0.29 4.04 4.05 0.24 -2.11 115.26 116.56 3exd n ASN 37 Ca 0.00 -0.15 -0.04 0.00 0.45 0.00 0.00 54.58 54.85 3exd n ASN 37 Cb 0.13 -3.77 -0.02 0.00 1.23 0.00 0.00 39.78 37.36 3exd n ASN 37 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 177.26 174.70 3exd n PHE 38 N -3.91 0.00 -3.40 1.20 3.72 -1.21 -4.83 117.46 109.04 3exd n PHE 38 Ca -0.10 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.88 3exd n PHE 38 Cb 0.60 -1.11 -0.09 0.00 -0.94 0.00 0.00 39.48 37.93 3exd n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 3exd s ASN 39 N -2.53 6.16 0.58 4.37 3.84 -0.90 -0.83 114.94 125.64 3exd s ASN 39 Ca 0.00 -0.45 0.31 0.00 0.21 0.00 0.00 52.86 52.93 3exd s ASN 39 Cb 0.00 -2.19 1.80 0.00 -0.55 0.00 0.00 41.25 40.30 3exd s ASN 39 CO 0.00 -0.41 2.22 0.71 -2.79 0.00 0.00 177.10 176.83 3exd h THR 40 N 5.60 0.48 -0.21 -5.21 1.35 -1.21 -2.65 112.91 111.05 3exd h THR 40 Ca -0.29 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 3exd h THR 40 Cb 1.13 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 68.64 3exd h THR 40 CO 0.72 0.03 0.00 0.00 -0.25 0.00 0.00 175.52 176.02 3exd n GLN 41 N -3.71 1.84 -1.73 4.72 6.02 -1.26 -3.91 117.38 119.36 3exd n GLN 41 Ca -0.03 -1.27 -0.42 0.00 -0.01 0.00 0.00 57.00 55.27 3exd n GLN 41 Cb 0.12 -1.40 -0.02 0.00 1.02 0.00 0.00 30.24 29.96 3exd n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3exd n ALA 42 N 0.50 2.41 -2.81 -1.58 0.00 -1.00 -4.81 120.51 113.23 3exd n ALA 42 Ca 0.16 0.38 -0.13 0.00 0.00 0.00 0.00 53.44 53.85 3exd n ALA 42 Cb 0.37 -2.45 -0.11 0.00 0.00 0.00 0.00 19.45 17.25 3exd n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3exd s THR 43 N 0.17 0.59 -0.12 0.00 -4.23 -1.26 -0.81 115.64 109.99 3exd s THR 43 Ca 0.66 -1.15 -0.06 0.00 -1.18 0.00 0.00 61.69 59.97 3exd s THR 43 Cb -0.52 -0.71 0.05 0.00 1.34 0.00 0.00 72.50 72.67 3exd s THR 43 CO 0.46 -0.40 0.28 0.21 -0.54 0.00 0.00 174.62 174.63 3exd s ASN 44 N -1.68 -0.13 -0.04 3.99 3.84 -0.70 -4.97 114.94 115.25 3exd s ASN 44 Ca -0.08 0.61 -0.24 0.00 0.21 0.00 0.00 52.86 53.35 3exd s ASN 44 Cb -0.09 0.57 -0.04 0.00 -0.55 0.00 0.00 41.25 41.14 3exd s ASN 44 CO 0.00 -0.19 0.73 -0.60 -2.79 0.00 0.00 177.10 174.25 3exd s ARG 45 N 1.64 4.45 0.37 0.43 6.06 -1.26 -0.50 118.95 130.14 3exd s ARG 45 Ca -0.06 0.95 -0.03 0.00 -2.50 0.00 0.00 55.73 54.09 3exd s ARG 45 Cb -0.11 -3.44 -0.04 0.00 0.06 0.00 0.00 34.95 31.43 3exd s ARG 45 CO -0.09 0.09 0.63 -0.80 -2.50 0.00 0.00 175.30 172.62 3exd s ASN 46 N 0.69 6.34 0.46 -2.12 0.01 0.28 -4.98 114.94 115.63 3exd s ASN 46 Ca 0.39 0.70 0.13 0.00 -0.71 0.00 0.00 52.86 53.37 3exd s ASN 46 Cb -0.18 -2.14 1.08 0.00 0.41 0.00 0.00 41.25 40.41 3exd s ASN 46 CO 0.20 -0.35 2.08 0.71 -1.51 0.00 0.00 177.10 178.23 3exd h THR 47 N 0.81 1.01 0.00 1.60 1.35 -1.97 -1.28 112.91 114.42 3exd h THR 47 Ca -0.48 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.28 3exd h THR 47 Cb 1.20 0.70 0.00 0.00 -1.73 0.00 0.00 68.15 68.33 3exd h THR 47 CO 0.63 0.05 0.00 -0.90 -0.25 0.00 0.00 175.52 175.05 3exd n ASP 48 N -4.49 0.00 0.00 5.36 5.75 -1.26 -4.87 116.55 117.03 3exd n ASP 48 Ca 0.02 -0.68 0.00 0.00 -0.01 0.00 0.00 54.79 54.12 3exd n ASP 48 Cb 0.15 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.16 3exd n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3exd n GLY 49 N 0.88 1.46 3.75 6.12 0.00 -0.48 -4.99 105.19 111.92 3exd n GLY 49 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 3exd n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3exd s SER 50 N -1.64 3.28 0.02 1.61 1.04 -1.26 -4.77 113.70 111.98 3exd s SER 50 Ca 0.00 1.08 0.03 0.00 0.48 0.00 0.00 55.95 57.54 3exd s SER 50 Cb 0.00 -1.71 -0.01 0.00 0.10 0.00 0.00 66.02 64.40 3exd s SER 50 CO 0.00 -2.71 -0.08 -0.89 0.98 0.00 0.00 173.24 170.54 3exd s THR 51 N -3.15 0.61 -0.12 2.02 2.01 -1.26 -0.56 115.64 115.19 3exd s THR 51 Ca 0.64 -0.65 -0.06 0.00 0.31 0.00 0.00 61.69 61.93 3exd s THR 51 Cb -0.16 -0.58 -0.04 0.00 0.01 0.00 0.00 72.50 71.73 3exd s THR 51 CO 0.55 -0.05 0.12 -1.81 -0.69 0.00 0.00 174.62 172.74 3exd s ASP 52 N -0.76 6.18 -0.04 3.53 1.01 0.35 -1.02 116.67 125.92 3exd s ASP 52 Ca -0.02 0.39 0.03 0.00 0.71 0.00 0.00 52.55 53.66 3exd s ASP 52 Cb -0.06 -1.98 0.00 0.00 1.01 0.00 0.00 42.92 41.90 3exd s ASP 52 CO 0.00 0.38 -0.11 -0.31 0.21 0.00 0.00 175.17 175.34 3exd s TYR 53 N -0.85 1.20 0.00 4.23 2.02 0.16 -1.71 117.35 122.40 3exd s TYR 53 Ca 0.14 -0.33 0.00 0.00 -0.37 0.00 0.00 57.07 56.50 3exd s TYR 53 Cb -0.12 -0.85 0.00 0.00 -0.40 0.00 0.00 41.96 40.60 3exd s TYR 53 CO 0.03 -0.14 0.00 0.41 -1.57 0.00 0.00 175.55 174.28 3exd n GLY 54 N 3.33 -2.02 0.25 0.71 0.00 0.01 -1.60 105.19 105.88 3exd n GLY 54 Ca -0.19 -1.68 0.08 0.00 0.00 0.00 0.00 46.02 44.24 3exd n GLY 54 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3exd h ILE 55 N 0.00 0.96 -0.30 -0.61 3.07 -1.72 -1.37 117.51 117.54 3exd h ILE 55 Ca 0.00 -0.25 0.00 0.00 1.55 0.00 0.00 64.86 66.16 3exd h ILE 55 Cb 0.00 1.14 0.00 0.00 -0.27 0.00 0.00 36.82 37.69 3exd h ILE 55 CO 0.00 0.07 0.00 0.18 -1.05 0.00 0.00 178.15 177.35 3exd n LEU 56 N -4.32 3.23 -3.83 0.16 4.77 -1.26 -3.97 117.00 111.76 3exd n LEU 56 Ca -0.03 -2.36 -0.29 0.00 -0.03 0.00 0.00 56.01 53.31 3exd n LEU 56 Cb 0.15 -0.33 0.01 0.00 -2.33 0.00 0.00 43.42 40.92 3exd n LEU 56 CO 0.34 0.70 -0.16 0.00 -1.33 0.00 0.00 177.39 176.95 3exd n GLN 57 N 0.12 -2.42 -2.59 3.23 1.13 -0.52 -4.90 117.38 111.43 3exd n GLN 57 Ca 0.15 0.42 -0.41 0.00 -1.94 0.00 0.00 57.00 55.22 3exd n GLN 57 Cb 0.58 -4.31 -0.04 0.00 0.11 0.00 0.00 30.24 26.59 3exd n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3exd s ILE 58 N -3.73 4.21 0.02 5.09 1.01 -0.63 -4.33 121.20 122.84 3exd s ILE 58 Ca 0.21 1.79 -0.14 0.00 0.00 0.00 0.00 60.65 62.51 3exd s ILE 58 Cb -0.08 -4.15 -0.06 0.00 0.01 0.00 0.00 42.46 38.19 3exd s ILE 58 CO 0.88 0.25 0.42 0.21 0.00 0.00 0.00 174.94 176.70 3exd s ASN 59 N 0.22 6.80 0.00 3.58 3.84 -1.26 -0.66 114.94 127.46 3exd s ASN 59 Ca 0.50 0.96 0.21 0.00 0.21 0.00 0.00 52.86 54.74 3exd s ASN 59 Cb -0.26 -2.25 0.95 0.00 -0.55 0.00 0.00 41.25 39.14 3exd s ASN 59 CO 0.32 0.30 1.66 -1.54 -2.79 0.00 0.00 177.10 175.05 3exd n SER 60 N 1.68 0.00 0.02 -4.21 3.41 -0.19 -2.06 113.62 112.27 3exd n SER 60 Ca -0.13 0.29 -0.05 0.00 -0.26 0.00 0.00 58.87 58.73 3exd n SER 60 Cb 0.52 -0.41 0.17 0.00 -0.26 0.00 0.00 64.21 64.23 3exd n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3exd h ARG 61 N 0.00 0.48 0.00 4.33 2.43 -1.83 -3.39 114.38 116.40 3exd h ARG 61 Ca 0.00 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 58.96 3exd h ARG 61 Cb 0.29 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 3exd h ARG 61 CO 0.00 0.75 -0.99 0.91 -1.51 0.00 0.00 179.97 179.13 3exd n TRP 62 N -4.07 0.00 -0.06 2.20 7.02 -1.22 -0.72 117.44 120.60 3exd n TRP 62 Ca -0.01 0.00 -0.05 0.00 -1.02 0.00 0.00 57.50 56.42 3exd n TRP 62 Cb 0.46 0.00 -0.11 0.00 -2.42 0.00 0.00 31.31 29.24 3exd n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 3exd n TRP 63 N -2.15 0.00 -3.98 -5.99 7.02 -0.87 -0.77 117.44 110.70 3exd n TRP 63 Ca 0.00 0.00 -0.08 0.00 -1.02 0.00 0.00 57.50 56.40 3exd n TRP 63 Cb 0.49 -0.61 -0.09 0.00 -2.42 0.00 0.00 31.31 28.69 3exd n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3exd s ASN 65 N -2.90 6.12 0.00 0.00 2.47 -0.27 -4.56 114.94 115.79 3exd s ASN 65 Ca 0.07 0.11 0.00 0.00 0.42 0.00 0.00 52.86 53.47 3exd s ASN 65 Cb 0.06 -2.11 0.00 0.00 -1.45 0.00 0.00 41.25 37.76 3exd s ASN 65 CO -0.10 0.06 0.58 -0.90 -3.72 0.00 0.00 177.10 173.03 3exd n ASP 66 N 4.29 1.17 0.00 -4.21 5.68 -1.26 -0.90 116.55 121.32 3exd n ASP 66 Ca -0.15 -1.15 0.00 0.00 -0.50 0.00 0.00 54.79 52.99 3exd n ASP 66 Cb 0.52 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 3exd n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3exd n GLY 67 N -0.04 0.61 1.22 6.12 0.00 -1.26 -4.80 105.19 107.04 3exd n GLY 67 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 3exd n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3exd n ARG 68 N -1.95 0.29 -3.82 1.61 -4.01 -1.26 -4.96 116.66 102.57 3exd n ARG 68 Ca 0.00 -2.13 -0.29 0.00 -1.04 0.00 0.00 57.85 54.39 3exd n ARG 68 Cb 0.03 -0.35 -0.13 0.00 -3.04 0.00 0.00 32.46 28.97 3exd n ARG 68 CO 0.00 0.00 0.00 0.99 -3.04 0.00 0.00 177.63 175.58 3exd s THR 69 N -0.60 2.06 0.20 8.89 2.01 -1.26 -4.83 115.64 122.11 3exd s THR 69 Ca 0.31 -3.16 -0.32 0.00 0.31 0.00 0.00 61.69 58.82 3exd s THR 69 Cb 0.34 -2.42 -0.15 0.00 0.01 0.00 0.00 72.50 70.29 3exd s THR 69 CO -0.13 -0.90 1.27 -2.65 -0.69 0.00 0.00 174.62 171.52 3exd n PRO 70 N 3.05 1.52 -0.95 4.92 -0.02 -1.26 -1.98 135.00 140.28 3exd n PRO 70 Ca 0.10 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 3exd n PRO 70 Cb 0.34 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 3exd n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3exd n GLY 71 N 2.10 0.63 3.88 -1.23 0.00 -1.26 -4.99 105.19 104.33 3exd n GLY 71 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 3exd n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3exd s SER 72 N -2.44 3.66 0.50 1.61 1.04 -0.84 -5.07 113.70 112.16 3exd s SER 72 Ca 0.00 0.59 0.03 0.00 0.48 0.00 0.00 55.95 57.05 3exd s SER 72 Cb 0.00 -0.91 -0.02 0.00 0.10 0.00 0.00 66.02 65.20 3exd s SER 72 CO 0.00 -2.42 0.06 -0.13 0.98 0.00 0.00 173.24 171.73 3exd s ARG 73 N -5.66 2.18 -0.39 4.02 1.81 0.11 -4.99 118.95 116.02 3exd s ARG 73 Ca 0.67 -2.30 0.09 0.00 -1.72 0.00 0.00 55.73 52.48 3exd s ARG 73 Cb -0.09 -1.64 0.28 0.00 -0.45 0.00 0.00 34.95 33.06 3exd s ARG 73 CO 0.51 -0.35 0.59 -1.71 -0.68 0.00 0.00 175.30 173.66 3exd n ASN 74 N -1.30 0.46 0.25 0.23 5.15 -1.16 -3.73 115.26 115.17 3exd n ASN 74 Ca -0.15 -2.80 0.15 0.00 -0.60 0.00 0.00 54.58 51.18 3exd n ASN 74 Cb 0.67 -0.63 0.53 0.00 -0.53 0.00 0.00 39.78 39.81 3exd n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 3exd h LEU 75 N 3.71 0.00 -0.51 1.20 3.38 -0.89 -1.32 115.31 120.88 3exd h LEU 75 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3exd h LEU 75 Cb 0.90 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.65 3exd h LEU 75 CO 0.48 0.05 -0.13 0.00 0.09 0.00 0.00 178.44 178.93 3exd n ASN 77 N -0.54 -1.58 -3.90 0.00 3.02 -0.50 -4.99 115.26 106.78 3exd n ASN 77 Ca 0.15 -0.78 -0.11 0.00 -0.03 0.00 0.00 54.58 53.82 3exd n ASN 77 Cb 0.32 -4.26 -0.10 0.00 -0.61 0.00 0.00 39.78 35.12 3exd n ASN 77 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 3exd s ILE 78 N -3.59 0.09 0.36 2.41 -4.36 -1.26 -5.07 121.20 109.78 3exd s ILE 78 Ca 0.04 -0.77 -0.27 0.00 -0.26 0.00 0.00 60.65 59.39 3exd s ILE 78 Cb -0.02 -0.44 -0.10 0.00 1.25 0.00 0.00 42.46 43.15 3exd s ILE 78 CO 0.80 -0.42 1.28 -2.16 0.24 0.00 0.00 174.94 174.68 3exd s PRO 79 N -1.52 4.21 0.52 0.37 0.04 -1.26 -1.12 135.00 136.25 3exd s PRO 79 Ca -0.14 2.14 0.19 0.00 0.04 0.00 0.00 61.00 63.23 3exd s PRO 79 Cb -0.07 -2.93 1.31 0.00 0.04 0.00 0.00 34.50 32.85 3exd s PRO 79 CO 0.01 -0.29 2.09 0.00 0.04 0.00 0.00 177.00 178.85 3exd h SER 81 N 0.00 0.00 0.23 0.00 4.64 -1.91 0.13 113.55 116.65 3exd h SER 81 Ca 0.09 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.40 3exd h SER 81 Cb 0.37 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.46 3exd h SER 81 CO -0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 176.83 175.92 3exd h ALA 82 N 1.88 1.21 0.00 5.18 0.00 -1.58 -1.13 119.26 124.82 3exd h ALA 82 Ca 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3exd h ALA 82 Cb 0.36 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3exd h ALA 82 CO -0.00 0.04 0.00 1.28 0.00 0.00 0.00 179.25 180.57 3exd n LEU 83 N -3.43 0.00 -0.52 0.00 4.77 0.03 -3.20 117.00 114.66 3exd n LEU 83 Ca -0.02 0.14 0.10 0.00 -0.03 0.00 0.00 56.01 56.20 3exd n LEU 83 Cb 0.15 -0.14 0.02 0.00 -2.33 0.00 0.00 43.42 41.11 3exd n LEU 83 CO 0.26 -0.00 0.35 0.18 -1.33 0.00 0.00 177.39 176.84 3exd n LEU 84 N -1.14 2.03 -4.73 2.23 4.77 -0.43 -3.76 117.00 115.97 3exd n LEU 84 Ca 0.19 -0.81 -0.35 0.00 -0.03 0.00 0.00 56.01 55.00 3exd n LEU 84 Cb 0.17 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.35 3exd n LEU 84 CO 0.20 0.37 0.84 -0.55 -1.33 0.00 0.00 177.39 176.92 3exd s SER 85 N -2.09 4.37 0.55 -1.43 0.15 -1.19 -4.15 113.70 109.90 3exd s SER 85 Ca 0.18 2.46 0.31 0.00 0.70 0.00 0.00 55.95 59.60 3exd s SER 85 Cb 0.16 -2.60 1.62 0.00 -1.71 0.00 0.00 66.02 63.49 3exd s SER 85 CO 0.44 -2.15 2.12 0.77 1.20 0.00 0.00 173.24 175.62 3exd h SER 86 N 0.06 0.00 -3.49 5.45 4.64 -1.94 -3.40 113.55 114.88 3exd h SER 86 Ca -0.49 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.22 3exd h SER 86 Cb 1.31 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.29 3exd h SER 86 CO 0.51 0.08 0.25 -0.62 -0.87 0.00 0.00 176.83 176.18 3exd s ASP 87 N -5.96 6.57 0.00 4.97 -1.08 -1.26 -4.95 116.67 114.96 3exd s ASP 87 Ca -0.03 0.54 0.22 0.00 -0.52 0.00 0.00 52.55 52.76 3exd s ASP 87 Cb 0.13 -2.36 1.19 0.00 -1.46 0.00 0.00 42.92 40.42 3exd s ASP 87 CO 0.55 -0.53 1.78 2.30 0.52 0.00 0.00 175.17 179.80 3exd n ILE 88 N 5.43 0.04 -0.11 4.11 -5.35 -1.26 -4.33 119.36 117.89 3exd n ILE 88 Ca 0.01 -0.08 -0.05 0.00 -0.27 0.00 0.00 62.75 62.36 3exd n ILE 88 Cb 0.49 -0.16 0.01 0.00 -1.74 0.00 0.00 39.64 38.23 3exd n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 3exd h THR 89 N 0.54 0.48 -0.53 7.28 2.02 -1.94 -0.20 112.91 120.56 3exd h THR 89 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3exd h THR 89 Cb 0.12 0.48 -0.03 0.00 -1.74 0.00 0.00 68.15 66.98 3exd h THR 89 CO 0.00 0.00 0.35 0.00 0.37 0.00 0.00 175.52 176.24 3exd h ALA 90 N 1.22 0.68 -0.63 6.16 0.00 -1.84 -0.24 119.26 124.61 3exd h ALA 90 Ca 0.19 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3exd h ALA 90 Cb 0.38 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3exd h ALA 90 CO -0.45 0.12 0.29 0.77 0.00 0.00 0.00 179.25 179.98 3exd h SER 91 N 0.72 0.83 -0.08 0.00 0.02 -1.65 -1.34 113.55 112.05 3exd h SER 91 Ca 0.19 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 3exd h SER 91 Cb -0.08 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.25 3exd h SER 91 CO -0.04 0.73 0.02 0.58 -1.14 0.00 0.00 176.83 176.98 3exd h VAL 92 N 0.86 1.20 -0.93 2.27 2.07 -0.71 0.12 116.25 121.13 3exd h VAL 92 Ca 0.21 -0.61 0.02 0.00 0.82 0.00 0.00 66.70 67.14 3exd h VAL 92 Cb 0.13 1.46 -0.05 0.00 -1.52 0.00 0.00 31.29 31.31 3exd h VAL 92 CO -0.03 0.17 0.61 0.78 0.02 0.00 0.00 177.57 179.13 3exd h ASN 93 N -0.09 1.05 -0.24 0.57 2.35 -0.96 -0.64 115.58 117.61 3exd h ASN 93 Ca 0.02 -0.02 -0.13 0.00 -0.55 0.00 0.00 56.30 55.63 3exd h ASN 93 Cb 0.26 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.37 3exd h ASN 93 CO 0.00 0.74 -0.35 0.00 -1.65 0.00 0.00 177.43 176.18 3exd h ALA 95 N 0.65 1.70 -0.87 0.00 0.00 -0.29 -0.61 119.26 119.84 3exd h ALA 95 Ca 0.03 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3exd h ALA 95 Cb 0.93 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 3exd h ALA 95 CO 0.08 0.14 0.47 0.87 0.00 0.00 0.00 179.25 180.82 3exd h LYS 96 N 0.80 1.21 -0.29 0.00 1.57 -0.99 -0.12 116.57 118.75 3exd h LYS 96 Ca 0.37 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.99 3exd h LYS 96 Cb 0.39 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 3exd h LYS 96 CO -0.14 0.89 0.11 0.87 -0.57 0.00 0.00 179.45 180.61 3exd h LYS 97 N 1.21 0.43 -0.16 3.15 1.57 -1.12 -2.85 116.57 118.80 3exd h LYS 97 Ca 0.30 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 59.00 3exd h LYS 97 Cb 0.03 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 3exd h LYS 97 CO -0.05 0.46 0.10 0.82 -0.57 0.00 0.00 179.45 180.21 3exd h ILE 98 N 0.32 1.08 0.00 1.86 2.04 -0.69 -2.26 117.51 119.85 3exd h ILE 98 Ca 0.10 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.77 3exd h ILE 98 Cb 0.18 0.91 0.00 0.00 -0.74 0.00 0.00 36.82 37.17 3exd h ILE 98 CO -0.01 0.07 0.00 0.55 0.00 0.00 0.00 178.15 178.76 3exd n VAL 99 N -4.94 0.90 1.36 1.67 3.14 -0.10 -1.49 118.33 118.87 3exd n VAL 99 Ca -0.04 0.25 0.13 0.00 -2.96 0.00 0.00 64.34 61.72 3exd n VAL 99 Cb 0.05 -1.13 0.41 0.00 -1.06 0.00 0.00 33.84 32.11 3exd n VAL 99 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 3exd n SER 100 N -2.00 1.79 0.24 6.55 7.64 -0.86 -3.86 113.62 123.13 3exd n SER 100 Ca 0.02 -1.56 0.15 0.00 1.01 0.00 0.00 58.87 58.50 3exd n SER 100 Cb 0.20 0.02 0.48 0.00 -1.01 0.00 0.00 64.21 63.90 3exd n SER 100 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 3exd h ASP 101 N 2.77 0.00 0.00 6.43 3.58 -1.12 -3.47 116.42 124.60 3exd h ASP 101 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 3exd h ASP 101 Cb 0.61 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.66 3exd h ASP 101 CO 0.00 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.97 3exd n GLY 102 N 0.47 3.85 1.14 -0.78 0.00 -1.26 -4.97 105.19 103.64 3exd n GLY 102 Ca 0.02 -0.57 0.08 0.00 0.00 0.00 0.00 46.02 45.55 3exd n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3exd n ASN 103 N 0.00 3.92 0.00 1.61 5.03 -1.26 -5.06 115.26 119.51 3exd n ASN 103 Ca 0.00 -2.33 0.00 0.00 0.87 0.00 0.00 54.58 53.12 3exd n ASN 103 Cb 0.00 -0.45 0.00 0.00 -1.02 0.00 0.00 39.78 38.31 3exd n ASN 103 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3exd n GLY 104 N 0.74 2.75 0.00 7.41 0.00 -1.25 -2.18 105.19 112.67 3exd n GLY 104 Ca 0.20 -0.38 0.15 0.00 0.00 0.00 0.00 46.02 45.99 3exd n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3exd n MET 105 N 12.51 0.55 0.32 1.61 2.81 -1.26 -2.86 117.12 130.80 3exd n MET 105 Ca 0.00 -0.00 0.22 0.00 -1.81 0.00 0.00 57.70 56.11 3exd n MET 105 Cb 0.00 -1.50 1.16 0.00 -0.71 0.00 0.00 33.22 32.17 3exd n MET 105 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 3exd h ASN 106 N 0.00 0.00 -0.63 7.83 4.21 -1.85 -0.87 115.58 124.27 3exd h ASN 106 Ca 0.00 0.00 0.15 0.00 1.21 0.00 0.00 56.30 57.66 3exd h ASN 106 Cb 0.22 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.39 3exd h ASN 106 CO 0.00 0.00 0.44 0.00 -1.29 0.00 0.00 177.43 176.58 3exd h ALA 107 N 1.98 2.33 -1.84 -0.83 0.00 -1.69 -3.32 119.26 115.90 3exd h ALA 107 Ca 0.00 -0.01 -0.66 0.00 0.00 0.00 0.00 54.91 54.24 3exd h ALA 107 Cb 0.02 -0.01 -0.17 0.00 0.00 0.00 0.00 17.79 17.63 3exd h ALA 107 CO 0.00 -0.50 0.30 -1.58 0.00 0.00 0.00 179.25 177.47 3exd s TRP 108 N -5.19 2.87 0.28 0.00 0.51 -0.33 -4.93 118.94 112.14 3exd s TRP 108 Ca -0.06 -0.64 0.01 0.00 -2.12 0.00 0.00 56.10 53.28 3exd s TRP 108 Cb 0.20 -4.04 0.54 0.00 -0.81 0.00 0.00 33.47 29.37 3exd s TRP 108 CO 0.75 -1.38 1.82 0.28 -0.51 0.00 0.00 176.95 177.90 3exd h VAL 109 N 5.94 0.87 -0.45 4.03 2.07 -1.83 -0.53 116.25 126.35 3exd h VAL 109 Ca -0.29 -0.31 -0.04 0.00 0.82 0.00 0.00 66.70 66.89 3exd h VAL 109 Cb 1.08 -0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 3exd h VAL 109 CO 1.11 0.16 0.11 0.00 0.02 0.00 0.00 177.57 178.97 3exd h ALA 110 N 1.54 1.35 -0.06 1.67 0.00 -1.92 0.70 119.26 122.55 3exd h ALA 110 Ca 0.49 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 3exd h ALA 110 Cb 0.53 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3exd h ALA 110 CO -0.29 0.46 0.04 2.35 0.00 0.00 0.00 179.25 181.81 3exd h TRP 111 N 0.66 0.08 -0.62 0.00 7.01 -1.42 0.40 115.95 122.05 3exd h TRP 111 Ca 0.15 -0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.17 3exd h TRP 111 Cb 0.24 -0.03 -0.04 0.00 -2.10 0.00 0.00 29.16 27.24 3exd h TRP 111 CO 0.01 0.12 0.39 -0.09 -2.79 0.00 0.00 178.44 176.08 3exd h ARG 112 N 0.02 0.74 0.00 2.65 2.43 -0.70 0.15 114.38 119.67 3exd h ARG 112 Ca 0.02 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.06 3exd h ARG 112 Cb 0.06 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 3exd h ARG 112 CO -0.00 0.49 -0.40 -0.91 -1.51 0.00 0.00 179.97 177.64 3exd h ASN 113 N 0.77 0.00 0.00 -3.80 2.35 -0.78 -3.36 115.58 110.75 3exd h ASN 113 Ca 0.25 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 3exd h ASN 113 Cb 0.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.38 3exd h ASN 113 CO -0.10 0.40 -0.27 0.54 -1.65 0.00 0.00 177.43 176.35 3exd n ARG 114 N -3.21 3.40 -0.01 0.81 1.74 0.12 -4.89 116.66 114.61 3exd n ARG 114 Ca 0.02 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.08 3exd n ARG 114 Cb 0.69 -0.53 -0.01 0.00 -1.02 0.00 0.00 32.46 31.59 3exd n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3exd n LYS 116 N -2.76 1.85 -0.01 0.00 4.81 0.34 -1.29 118.16 121.10 3exd n LYS 116 Ca -0.05 0.67 0.00 0.00 -0.87 0.00 0.00 58.31 58.06 3exd n LYS 116 Cb 0.55 -2.43 0.00 0.00 0.02 0.00 0.00 35.03 33.17 3exd n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3exd n GLY 117 N 3.59 2.22 3.96 3.14 0.00 -1.26 -4.97 105.19 111.87 3exd n GLY 117 Ca 0.20 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.98 3exd n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3exd s THR 118 N -2.75 2.29 -1.26 2.61 -4.23 -0.42 -4.95 115.64 106.94 3exd s THR 118 Ca 0.00 -0.45 -0.17 0.00 -1.18 0.00 0.00 61.69 59.88 3exd s THR 118 Cb 0.00 -2.84 -0.00 0.00 1.34 0.00 0.00 72.50 70.99 3exd s THR 118 CO 0.00 0.00 2.03 -0.67 -0.54 0.00 0.00 174.62 175.44 3exd n ASP 119 N -2.83 3.77 0.27 3.99 2.03 -1.26 -4.73 116.55 117.78 3exd n ASP 119 Ca 0.11 -2.81 0.18 0.00 0.52 0.00 0.00 54.79 52.79 3exd n ASP 119 Cb 0.60 -1.58 0.80 0.00 -0.72 0.00 0.00 41.12 40.23 3exd n ASP 119 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 3exd h VAL 120 N 4.65 0.00 0.00 5.18 -1.51 -1.90 -2.26 116.25 120.41 3exd h VAL 120 Ca 0.48 -0.30 -0.01 0.00 -1.23 0.00 0.00 66.70 65.64 3exd h VAL 120 Cb 0.73 1.23 -0.00 0.00 -2.13 0.00 0.00 31.29 31.11 3exd h VAL 120 CO 1.75 0.00 -0.04 0.06 -1.23 0.00 0.00 177.57 178.11 3exd h GLN 121 N 0.00 0.00 -0.12 5.19 3.07 -1.88 -0.99 115.11 120.37 3exd h GLN 121 Ca 0.00 0.00 0.04 0.00 0.09 0.00 0.00 58.65 58.78 3exd h GLN 121 Cb 0.32 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.87 3exd h GLN 121 CO 0.00 0.04 0.13 0.00 0.09 0.00 0.00 178.83 179.08 3exd h ALA 122 N 1.96 1.78 0.00 0.06 0.00 -1.80 -1.23 119.26 120.03 3exd h ALA 122 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3exd h ALA 122 Cb 0.11 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3exd h ALA 122 CO 0.00 -0.19 0.00 -1.49 0.00 0.00 0.00 179.25 177.58 3exd h TRP 123 N 0.00 0.00 -0.06 0.00 4.06 -1.39 -2.88 115.95 115.68 3exd h TRP 123 Ca 0.06 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.01 3exd h TRP 123 Cb 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.47 3exd h TRP 123 CO 0.00 0.00 0.00 0.44 -3.56 0.00 0.00 178.44 175.32 3exd n ILE 124 N -2.72 0.36 -1.71 1.49 -5.35 -0.51 -4.78 119.36 106.14 3exd n ILE 124 Ca 0.02 -0.68 -0.43 0.00 -0.27 0.00 0.00 62.75 61.38 3exd n ILE 124 Cb 0.29 0.88 -0.03 0.00 -1.74 0.00 0.00 39.64 39.05 3exd n ILE 124 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 3exd n ARG 125 N 0.15 2.48 0.00 6.28 0.63 -0.90 -1.79 116.66 123.51 3exd n ARG 125 Ca 0.04 0.89 0.00 0.00 -0.92 0.00 0.00 57.85 57.85 3exd n ARG 125 Cb 0.19 -2.65 0.00 0.00 0.45 0.00 0.00 32.46 30.45 3exd n ARG 125 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3exd n GLY 126 N 2.76 3.08 3.75 5.14 0.00 -1.26 -5.00 105.19 113.66 3exd n GLY 126 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 3exd n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3exd s ARG 128 N -0.80 3.69 0.00 0.00 3.52 -1.26 -5.12 118.95 118.98 3exd s ARG 128 Ca 0.56 0.95 0.00 0.00 -0.13 0.00 0.00 55.73 57.11 3exd s ARG 128 Cb -0.41 -3.97 0.00 0.00 -1.56 0.00 0.00 34.95 29.01 3exd s ARG 128 CO 0.46 -1.42 0.19 1.28 -0.81 0.00 0.00 175.30 175.00