#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1s n LYS 2 N 0.00 -1.37 -0.15 0.00 4.81 -1.26 -4.67 118.16 115.52 3i1s n LYS 2 Ca 0.00 1.39 -0.05 0.00 -0.87 0.00 0.00 58.31 58.78 3i1s n LYS 2 Cb 0.00 -2.55 0.04 0.00 0.02 0.00 0.00 35.03 32.55 3i1s n LYS 2 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 3i1s h GLN 3 N 1.19 0.42 -1.11 1.64 7.50 -1.97 -0.38 115.11 122.41 3i1s h GLN 3 Ca -0.06 -0.03 0.31 0.00 0.50 0.00 0.00 58.65 59.38 3i1s h GLN 3 Cb 0.13 -0.10 -0.08 0.00 0.05 0.00 0.00 27.48 27.48 3i1s h GLN 3 CO 0.03 0.28 0.75 0.66 -1.50 0.00 0.00 178.83 179.05 3i1s h SER 4 N 0.44 0.25 0.49 1.46 4.64 -1.99 0.94 113.55 119.78 3i1s h SER 4 Ca 0.21 0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 61.56 3i1s h SER 4 Cb 0.14 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 3i1s h SER 4 CO -0.16 0.03 -0.23 0.24 -0.87 0.00 0.00 176.83 175.84 3i1s h MET 5 N 0.21 -0.63 -0.95 4.77 2.86 -1.39 -3.08 114.93 116.72 3i1s h MET 5 Ca 0.59 0.04 0.26 0.00 -2.06 0.00 0.00 59.70 58.53 3i1s h MET 5 Cb 1.87 0.14 -0.06 0.00 0.06 0.00 0.00 31.60 33.62 3i1s h MET 5 CO -0.19 -0.36 0.66 -0.22 1.06 0.00 0.00 176.91 177.87 3i1s h LYS 6 N -1.10 0.17 0.19 1.72 3.64 0.08 0.46 116.57 121.74 3i1s h LYS 6 Ca -0.07 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 3i1s h LYS 6 Cb 0.56 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.32 3i1s h LYS 6 CO 0.11 0.11 -0.39 0.00 -2.27 0.00 0.00 179.45 177.01 3i1s h ALA 7 N 1.56 -0.95 -1.15 5.00 0.00 0.70 -1.60 119.26 122.82 3i1s h ALA 7 Ca 0.48 -0.11 0.32 0.00 0.00 0.00 0.00 54.91 55.61 3i1s h ALA 7 Cb 1.59 0.73 -0.08 0.00 0.00 0.00 0.00 17.79 20.03 3i1s h ALA 7 CO -0.10 -1.02 0.77 -0.09 0.00 0.00 0.00 179.25 178.81 3i1s h ARG 8 N -0.64 0.21 -0.06 0.00 2.43 0.00 0.32 114.38 116.65 3i1s h ARG 8 Ca -0.02 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3i1s h ARG 8 Cb 0.60 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 3i1s h ARG 8 CO -0.16 0.14 0.00 0.39 -1.51 0.00 0.00 179.97 178.83 3i1s n GLU 9 N -4.48 1.53 -0.03 0.20 1.02 -0.67 -3.49 120.64 114.73 3i1s n GLU 9 Ca 0.28 -0.78 -0.21 0.00 -0.02 0.00 0.00 57.16 56.42 3i1s n GLU 9 Cb 1.11 -1.44 -0.13 0.00 -0.02 0.00 0.00 31.44 30.95 3i1s n GLU 9 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3i1s n VAL 10 N -0.03 1.70 0.26 2.62 0.31 0.11 -4.09 118.33 119.22 3i1s n VAL 10 Ca 0.18 -0.59 0.12 0.00 -0.01 0.00 0.00 64.34 64.05 3i1s n VAL 10 Cb 0.29 -1.70 0.73 0.00 -0.91 0.00 0.00 33.84 32.25 3i1s n VAL 10 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 3i1s h LYS 11 N -0.04 0.00 0.13 5.55 3.64 -1.57 -2.45 116.57 121.82 3i1s h LYS 11 Ca -0.46 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 58.92 3i1s h LYS 11 Cb 1.95 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.77 3i1s h LYS 11 CO 0.02 0.11 -0.06 0.00 -2.27 0.00 0.00 179.45 177.25 3i1s h ARG 12 N 0.00 -0.17 0.00 1.90 3.08 -1.72 -0.17 114.38 117.31 3i1s h ARG 12 Ca -0.00 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3i1s h ARG 12 Cb 0.28 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.37 3i1s h ARG 12 CO 0.01 0.29 0.00 0.28 -1.07 0.00 0.00 179.97 179.49 3i1s h VAL 13 N -0.80 0.00 -0.27 2.04 2.07 -1.70 0.12 116.25 117.71 3i1s h VAL 13 Ca -0.02 -0.25 -0.08 0.00 0.82 0.00 0.00 66.70 67.17 3i1s h VAL 13 Cb 0.54 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 3i1s h VAL 13 CO 0.03 0.00 -0.15 0.00 0.02 0.00 0.00 177.57 177.47 3i1s h ALA 14 N 2.09 0.38 -0.12 1.67 0.00 -1.25 -2.77 119.26 119.26 3i1s h ALA 14 Ca 0.00 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 3i1s h ALA 14 Cb 0.30 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3i1s h ALA 14 CO 0.00 0.28 0.05 1.28 0.00 0.00 0.00 179.25 180.86 3i1s n LEU 15 N -4.42 2.74 -1.37 0.00 4.77 0.34 -3.64 117.00 115.42 3i1s n LEU 15 Ca -0.04 -1.39 -0.05 0.00 -0.03 0.00 0.00 56.01 54.50 3i1s n LEU 15 Cb 0.38 -0.54 0.22 0.00 -2.33 0.00 0.00 43.42 41.15 3i1s n LEU 15 CO 0.42 0.46 0.83 0.00 -1.33 0.00 0.00 177.39 177.76 3i1s n ALA 16 N 0.18 4.27 0.00 -1.18 0.00 -0.82 -4.48 120.51 118.49 3i1s n ALA 16 Ca 0.07 -2.85 0.00 0.00 0.00 0.00 0.00 53.44 50.66 3i1s n ALA 16 Cb 0.55 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 19.10 3i1s n ALA 16 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3i1s n ASP 17 N -0.90 0.00 0.31 0.00 5.75 -1.25 -4.59 116.55 115.87 3i1s n ASP 17 Ca 0.36 0.00 0.19 0.00 -0.01 0.00 0.00 54.79 55.33 3i1s n ASP 17 Cb 1.15 0.00 0.99 0.00 -1.03 0.00 0.00 41.12 42.23 3i1s n ASP 17 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 3i1s h LYS 18 N 0.00 0.00 0.00 0.11 1.57 -1.82 -3.04 116.57 113.39 3i1s h LYS 18 Ca 0.00 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 3i1s h LYS 18 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3i1s h LYS 18 CO 0.00 0.02 -0.91 0.66 -0.57 0.00 0.00 179.45 178.65 3i1s n TYR 19 N -3.23 0.00 0.02 -1.35 4.02 -1.26 -4.79 117.16 110.57 3i1s n TYR 19 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.87 3i1s n TYR 19 Cb 0.16 -0.33 0.00 0.00 -0.02 0.00 0.00 39.34 39.14 3i1s n TYR 19 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 3i1s n PHE 20 N -3.88 0.00 0.00 -0.72 3.01 -1.20 -4.09 117.46 110.58 3i1s n PHE 20 Ca -0.14 -0.33 0.00 0.00 1.01 0.00 0.00 57.45 58.00 3i1s n PHE 20 Cb 0.40 -0.28 0.00 0.00 -0.01 0.00 0.00 39.48 39.59 3i1s n PHE 20 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3i1s n ALA 21 N 1.43 0.00 0.28 4.37 0.00 -1.15 -4.11 120.51 121.33 3i1s n ALA 21 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 3i1s n ALA 21 Cb 0.20 0.00 0.16 0.00 0.00 0.00 0.00 19.45 19.81 3i1s n ALA 21 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3i1s n LYS 22 N 0.00 0.03 0.01 0.00 5.02 -1.26 -0.56 118.16 121.40 3i1s n LYS 22 Ca 0.00 0.33 0.12 0.00 -2.02 0.00 0.00 58.31 56.74 3i1s n LYS 22 Cb 0.00 -1.50 0.22 0.00 -0.02 0.00 0.00 35.03 33.73 3i1s n LYS 22 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3i1s n ARG 23 N -1.43 0.04 0.00 1.97 1.74 -1.26 0.91 116.66 118.63 3i1s n ARG 23 Ca 0.02 0.01 0.08 0.00 -0.77 0.00 0.00 57.85 57.19 3i1s n ARG 23 Cb 0.08 -1.52 0.38 0.00 -1.02 0.00 0.00 32.46 30.37 3i1s n ARG 23 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i1s n ALA 24 N -1.55 1.81 -0.90 7.54 0.00 0.28 -3.56 120.51 124.13 3i1s n ALA 24 Ca 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3i1s n ALA 24 Cb 0.35 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.53 3i1s n ALA 24 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3i1s n GLU 25 N -1.45 0.00 -0.29 0.00 -0.00 -1.17 -4.66 120.64 113.06 3i1s n GLU 25 Ca 0.05 0.00 -0.04 0.00 -0.00 0.00 0.00 57.16 57.17 3i1s n GLU 25 Cb 0.18 -0.24 0.07 0.00 -0.00 0.00 0.00 31.44 31.46 3i1s n GLU 25 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 3i1s h LEU 26 N 0.00 0.92 0.00 -1.84 6.46 0.48 -0.46 115.31 120.87 3i1s h LEU 26 Ca 0.00 -0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.74 3i1s h LEU 26 Cb 0.32 -0.23 0.00 0.00 -0.73 0.00 0.00 40.66 40.02 3i1s h LEU 26 CO 0.00 0.67 -0.51 0.07 -0.62 0.00 0.00 178.44 178.04 3i1s h LYS 27 N 1.09 0.00 -0.16 1.25 5.09 -1.83 -3.36 116.57 118.65 3i1s h LYS 27 Ca 0.30 0.00 0.05 0.00 0.09 0.00 0.00 60.65 61.09 3i1s h LYS 27 Cb -0.12 0.00 -0.06 0.00 0.10 0.00 0.00 32.23 32.15 3i1s h LYS 27 CO -0.07 0.00 -0.24 0.00 -2.09 0.00 0.00 179.45 177.05 3i1s h ALA 28 N 2.23 -0.20 -0.25 0.07 0.00 -1.35 0.72 119.26 120.49 3i1s h ALA 28 Ca 0.00 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 3i1s h ALA 28 Cb 0.89 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 3i1s h ALA 28 CO 0.00 -0.69 -0.17 0.82 0.00 0.00 0.00 179.25 179.21 3i1s h ILE 29 N -0.29 1.23 0.00 0.00 2.04 -1.72 1.21 117.51 119.98 3i1s h ILE 29 Ca 0.11 -1.06 0.00 0.00 1.00 0.00 0.00 64.86 64.91 3i1s h ILE 29 Cb 0.45 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.77 3i1s h ILE 29 CO -0.32 0.34 0.00 -0.38 0.00 0.00 0.00 178.15 177.79 3i1s n ILE 30 N -4.19 0.00 -0.01 -0.67 2.08 -0.01 -3.48 119.36 113.09 3i1s n ILE 30 Ca 0.00 0.00 -0.02 0.00 0.56 0.00 0.00 62.75 63.29 3i1s n ILE 30 Cb 0.34 -0.56 -0.01 0.00 -0.75 0.00 0.00 39.64 38.66 3i1s n ILE 30 CO 0.00 0.00 0.00 -1.20 0.56 0.00 0.00 176.55 175.91 3i1s n SER 31 N -0.91 1.11 -4.42 4.38 7.64 0.23 -2.95 113.62 118.71 3i1s n SER 31 Ca 0.14 0.01 -0.28 0.00 1.01 0.00 0.00 58.87 59.75 3i1s n SER 31 Cb 0.06 -0.05 0.24 0.00 -1.01 0.00 0.00 64.21 63.46 3i1s n SER 31 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 3i1s s ASP 32 N -4.90 1.17 -0.79 6.43 3.84 0.39 -4.83 116.67 117.99 3i1s s ASP 32 Ca -0.02 1.28 -0.25 0.00 -0.00 0.00 0.00 52.55 53.55 3i1s s ASP 32 Cb 0.01 -1.98 -0.03 0.00 -1.38 0.00 0.00 42.92 39.54 3i1s s ASP 32 CO 0.03 -4.05 1.87 -0.69 -0.00 0.00 0.00 175.17 172.33 3i1s s VAL 33 N -2.62 3.44 0.00 2.11 1.01 -1.26 -4.43 120.40 118.65 3i1s s VAL 33 Ca 0.68 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.51 3i1s s VAL 33 Cb -0.21 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 32.10 3i1s s VAL 33 CO 0.62 -1.01 0.00 -3.20 0.00 0.00 0.00 175.10 171.50 3i1s n ASN 34 N 13.11 0.00 0.00 3.32 5.15 -1.26 -5.18 115.26 130.39 3i1s n ASN 34 Ca 0.31 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.29 3i1s n ASN 34 Cb 0.49 0.15 0.00 0.00 -0.53 0.00 0.00 39.78 39.89 3i1s n ASN 34 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3i1s n ARG 40 N -1.70 0.00 -3.47 1.20 1.74 -1.25 -5.16 116.66 108.02 3i1s n ARG 40 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3i1s n ARG 40 Cb 0.00 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.39 3i1s n ARG 40 CO 0.00 0.00 0.00 -0.46 -1.52 0.00 0.00 177.63 175.65 3i1s s TRP 41 N -2.00 -0.66 0.09 -1.55 -0.00 -1.15 -5.00 118.94 108.66 3i1s s TRP 41 Ca 0.00 1.18 -0.34 0.00 -0.00 0.00 0.00 56.10 56.95 3i1s s TRP 41 Cb 0.00 0.40 -0.15 0.00 -0.00 0.00 0.00 33.47 33.71 3i1s s TRP 41 CO 0.00 -0.33 1.59 -0.97 -0.00 0.00 0.00 176.95 177.24 3i1s h ASN 42 N 7.11 -1.17 0.00 5.86 -1.24 -1.95 -2.18 115.58 122.02 3i1s h ASN 42 Ca -0.19 0.09 0.00 0.00 0.71 0.00 0.00 56.30 56.91 3i1s h ASN 42 Cb 1.14 0.38 0.00 0.00 0.73 0.00 0.00 38.32 40.57 3i1s h ASN 42 CO 0.11 -0.60 0.42 0.00 -1.29 0.00 0.00 177.43 176.08 3i1s h ALA 43 N -0.61 1.36 0.04 1.57 0.00 -2.01 0.33 119.26 119.93 3i1s h ALA 43 Ca -0.05 0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.48 3i1s h ALA 43 Cb 0.79 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.53 3i1s h ALA 43 CO -0.04 -0.36 -2.29 0.28 0.00 0.00 0.00 179.25 176.84 3i1s n VAL 44 N -2.38 1.59 -1.10 0.00 0.31 -0.87 -4.52 118.33 111.37 3i1s n VAL 44 Ca -0.01 -0.61 -0.18 0.00 -0.01 0.00 0.00 64.34 63.52 3i1s n VAL 44 Cb 0.45 -1.49 -0.03 0.00 -0.91 0.00 0.00 33.84 31.85 3i1s n VAL 44 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3i1s n LEU 45 N -3.32 6.20 0.00 7.52 4.77 0.10 -3.78 117.00 128.49 3i1s n LEU 45 Ca -0.40 -3.50 0.00 0.00 -0.03 0.00 0.00 56.01 52.08 3i1s n LEU 45 Cb 1.02 -1.18 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 3i1s n LEU 45 CO 0.33 1.47 -0.48 0.29 -1.33 0.00 0.00 177.39 177.67 3i1s n LYS 46 N 0.96 0.00 -0.32 3.23 4.76 -1.25 -4.70 118.16 120.83 3i1s n LYS 46 Ca 0.36 0.00 0.18 0.00 -2.87 0.00 0.00 58.31 55.98 3i1s n LYS 46 Cb 0.61 -0.65 0.38 0.00 -1.84 0.00 0.00 35.03 33.53 3i1s n LYS 46 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 3i1s h LEU 47 N 0.00 0.37 -0.71 -0.35 5.85 -1.86 -1.44 115.31 117.16 3i1s h LEU 47 Ca 0.00 0.18 0.08 0.00 0.84 0.00 0.00 57.88 58.98 3i1s h LEU 47 Cb 0.96 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.13 3i1s h LEU 47 CO 0.00 -0.08 0.90 -0.61 -0.34 0.00 0.00 178.44 178.31 3i1s h GLN 48 N 0.35 0.00 -3.00 1.25 5.75 -1.84 -0.67 115.11 116.95 3i1s h GLN 48 Ca 0.64 0.00 -0.71 0.00 -0.15 0.00 0.00 58.65 58.43 3i1s h GLN 48 Cb 1.34 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 29.84 3i1s h GLN 48 CO -0.59 0.00 3.05 2.41 -2.65 0.00 0.00 178.83 181.06 3i1s n THR 49 N -2.82 4.60 -0.09 2.39 -1.04 -0.54 -4.59 114.28 112.18 3i1s n THR 49 Ca 0.06 -3.48 -0.14 0.00 -2.04 0.00 0.00 64.05 58.45 3i1s n THR 49 Cb 1.00 -2.38 -0.06 0.00 -1.82 0.00 0.00 70.33 67.07 3i1s n THR 49 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3i1s n LEU 50 N 3.13 1.87 0.00 -4.42 4.77 -0.26 -5.00 117.00 117.08 3i1s n LEU 50 Ca 0.66 0.48 -0.20 0.00 -0.03 0.00 0.00 56.01 56.93 3i1s n LEU 50 Cb 0.26 -0.87 0.11 0.00 -2.33 0.00 0.00 43.42 40.60 3i1s n LEU 50 CO 0.79 -0.08 0.52 -0.81 -1.33 0.00 0.00 177.39 176.48 3i1s n PRO 51 N -4.49 -0.30 -2.64 3.23 -0.04 -1.26 -5.05 135.00 124.46 3i1s n PRO 51 Ca -0.22 -1.96 0.00 0.00 -0.04 0.00 0.00 63.50 61.28 3i1s n PRO 51 Cb 0.51 -0.70 0.05 0.00 -0.04 0.00 0.00 33.50 33.33 3i1s n PRO 51 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 3i1s n ARG 52 N -2.69 1.47 -0.75 0.54 3.00 -1.26 -4.81 116.66 112.17 3i1s n ARG 52 Ca 0.13 -3.11 -0.04 0.00 -0.00 0.00 0.00 57.85 54.83 3i1s n ARG 52 Cb 0.46 -1.23 -0.04 0.00 0.00 0.00 0.00 32.46 31.66 3i1s n ARG 52 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 3i1s n ASP 53 N -0.54 -0.51 -3.98 6.15 -0.08 -1.26 -5.11 116.55 111.22 3i1s n ASP 53 Ca 0.04 -1.03 -0.31 0.00 -1.51 0.00 0.00 54.79 51.99 3i1s n ASP 53 Cb 0.85 0.15 -0.15 0.00 2.34 0.00 0.00 41.12 44.30 3i1s n ASP 53 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 3i1s s SER 54 N -0.51 3.95 0.00 1.67 1.04 -1.26 -4.51 113.70 114.08 3i1s s SER 54 Ca 0.00 -1.20 0.00 0.00 0.48 0.00 0.00 55.95 55.23 3i1s s SER 54 Cb 0.00 -1.28 0.00 0.00 0.10 0.00 0.00 66.02 64.84 3i1s s SER 54 CO 0.00 -0.21 0.00 -0.24 0.98 0.00 0.00 173.24 173.77 3i1s n SER 55 N 4.61 0.00 0.00 7.02 2.88 -1.26 -4.95 113.62 121.92 3i1s n SER 55 Ca -0.13 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.41 3i1s n SER 55 Cb 0.44 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.90 3i1s n SER 55 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3i1s n PRO 56 N 0.00 0.00 -0.11 -1.46 -0.04 -1.26 -0.69 135.00 131.43 3i1s n PRO 56 Ca 0.00 0.24 -0.25 0.00 -0.04 0.00 0.00 63.50 63.45 3i1s n PRO 56 Cb 0.00 -1.63 -0.11 0.00 -0.04 0.00 0.00 33.50 31.72 3i1s n PRO 56 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 3i1s n SER 57 N -1.19 1.95 -0.09 3.54 7.64 -1.26 -4.38 113.62 119.83 3i1s n SER 57 Ca 0.00 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.15 3i1s n SER 57 Cb 0.13 -0.80 0.00 0.00 -1.01 0.00 0.00 64.21 62.54 3i1s n SER 57 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 3i1s n ARG 58 N -4.05 0.89 -4.02 1.43 1.85 0.13 -4.71 116.66 108.19 3i1s n ARG 58 Ca -0.45 0.00 -0.23 0.00 -1.00 0.00 0.00 57.85 56.18 3i1s n ARG 58 Cb 0.87 -1.08 -0.03 0.00 -1.05 0.00 0.00 32.46 31.16 3i1s n ARG 58 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 3i1s s GLN 59 N -1.81 3.25 0.11 2.89 -0.21 -0.99 -4.93 119.66 117.97 3i1s s GLN 59 Ca 0.00 -0.82 -0.00 0.00 0.02 0.00 0.00 55.36 54.56 3i1s s GLN 59 Cb 0.00 -2.79 -0.04 0.00 1.00 0.00 0.00 33.01 31.18 3i1s s GLN 59 CO 0.00 0.44 0.01 0.50 -2.12 0.00 0.00 175.29 174.12 3i1s s ARG 60 N -3.72 0.86 -0.06 2.91 3.52 -1.26 -5.02 118.95 116.18 3i1s s ARG 60 Ca 0.33 -1.38 -0.03 0.00 -0.13 0.00 0.00 55.73 54.53 3i1s s ARG 60 Cb -0.09 0.09 -0.01 0.00 -1.56 0.00 0.00 34.95 33.38 3i1s s ARG 60 CO 0.27 -0.17 -0.05 -2.95 -0.81 0.00 0.00 175.30 171.60 3i1s h ASN 61 N 2.93 0.00 -3.80 -2.12 7.08 -1.96 -3.51 115.58 114.19 3i1s h ASN 61 Ca -0.35 0.00 0.19 0.00 -3.08 0.00 0.00 56.30 53.06 3i1s h ASN 61 Cb 1.18 0.00 -0.11 0.00 -2.08 0.00 0.00 38.32 37.31 3i1s h ASN 61 CO 0.62 0.31 -0.73 0.54 -2.08 0.00 0.00 177.43 176.09 3i1s n ARG 62 N -3.35 -1.92 -1.74 4.14 1.74 -1.26 -4.71 116.66 109.56 3i1s n ARG 62 Ca -0.02 1.57 -0.42 0.00 -0.77 0.00 0.00 57.85 58.21 3i1s n ARG 62 Cb 0.07 -2.23 -0.03 0.00 -1.02 0.00 0.00 32.46 29.26 3i1s n ARG 62 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i1s n ARG 64 N 4.45 1.61 -0.08 0.00 1.74 -0.61 -0.68 116.66 123.09 3i1s n ARG 64 Ca 0.16 -0.91 -0.17 0.00 -0.77 0.00 0.00 57.85 56.17 3i1s n ARG 64 Cb 0.36 -1.42 -0.06 0.00 -1.02 0.00 0.00 32.46 30.33 3i1s n ARG 64 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 3i1s n GLN 65 N 0.12 0.34 -0.11 5.56 -0.06 -1.26 -4.84 117.38 117.12 3i1s n GLN 65 Ca 0.17 0.15 -0.18 0.00 -2.00 0.00 0.00 57.00 55.14 3i1s n GLN 65 Cb 0.30 -1.08 -0.10 0.00 -4.06 0.00 0.00 30.24 25.31 3i1s n GLN 65 CO 0.00 0.00 0.00 0.25 -0.20 0.00 0.00 177.06 177.11 3i1s n THR 66 N -3.76 1.28 -0.63 1.69 -2.24 -1.26 -5.05 114.28 104.31 3i1s n THR 66 Ca -0.31 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.03 3i1s n THR 66 Cb 0.70 -1.41 0.00 0.00 -2.10 0.00 0.00 70.33 67.51 3i1s n THR 66 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i1s n GLY 67 N 2.22 0.56 3.71 3.38 0.00 0.15 -4.60 105.19 110.61 3i1s n GLY 67 Ca -0.41 -0.25 -0.38 0.00 0.00 0.00 0.00 46.02 44.98 3i1s n GLY 67 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3i1s s ARG 68 N -0.96 4.32 0.18 1.61 3.52 -1.26 -3.29 118.95 123.07 3i1s s ARG 68 Ca 0.00 0.46 -0.22 0.00 -0.13 0.00 0.00 55.73 55.84 3i1s s ARG 68 Cb 0.00 -3.46 0.09 0.00 -1.56 0.00 0.00 34.95 30.02 3i1s s ARG 68 CO 0.00 0.10 1.58 -1.00 -0.81 0.00 0.00 175.30 175.17 3i1s h PRO 69 N 6.86 -0.19 0.00 5.12 0.13 -1.95 -2.45 132.00 139.52 3i1s h PRO 69 Ca -0.40 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 3i1s h PRO 69 Cb 1.17 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3i1s h PRO 69 CO 0.75 -0.12 0.00 -2.39 -0.23 0.00 0.00 178.00 176.01 3i1s n HIS 70 N -5.43 0.00 -2.12 1.56 1.44 -1.26 -4.11 115.22 105.30 3i1s n HIS 70 Ca 0.03 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.61 3i1s n HIS 70 Cb 0.35 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.45 3i1s n HIS 70 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3i1s n GLY 71 N 2.60 0.06 3.81 -1.39 0.00 -1.26 -4.86 105.19 104.15 3i1s n GLY 71 Ca 0.00 -0.36 -0.22 0.00 0.00 0.00 0.00 46.02 45.44 3i1s n GLY 71 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3i1s s PHE 72 N -2.62 2.77 0.07 1.61 -0.71 -1.26 -1.98 117.98 115.87 3i1s s PHE 72 Ca 0.00 -0.39 0.09 0.00 -1.04 0.00 0.00 56.93 55.59 3i1s s PHE 72 Cb 0.00 -1.85 -0.03 0.00 -1.21 0.00 0.00 43.02 39.93 3i1s s PHE 72 CO 0.00 0.17 -0.25 -0.51 -1.34 0.00 0.00 175.22 173.28 3i1s s LEU 73 N -3.97 2.22 0.00 -1.99 1.43 -1.08 -4.92 118.68 110.37 3i1s s LEU 73 Ca 0.41 -0.63 -0.25 0.00 -1.03 0.00 0.00 54.13 52.64 3i1s s LEU 73 Cb -0.03 -1.19 -0.16 0.00 0.03 0.00 0.00 46.19 44.83 3i1s s LEU 73 CO 0.25 0.21 1.20 0.03 0.23 0.00 0.00 176.35 178.27 3i1s h ARG 74 N 4.51 -0.38 -0.07 1.70 3.08 -1.97 0.69 114.38 121.94 3i1s h ARG 74 Ca -0.47 0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.61 3i1s h ARG 74 Cb 1.15 0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.29 3i1s h ARG 74 CO 0.42 -0.05 0.00 1.17 -1.07 0.00 0.00 179.97 180.44 3i1s n LYS 75 N -5.11 0.09 0.11 0.04 3.00 -1.26 -3.03 118.16 112.00 3i1s n LYS 75 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.22 3i1s n LYS 75 Cb 0.26 -1.03 0.00 0.00 0.00 0.00 0.00 35.03 34.26 3i1s n LYS 75 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 3i1s n PHE 76 N 0.21 -2.56 -0.44 5.64 3.01 -1.19 -5.03 117.46 117.10 3i1s n PHE 76 Ca 0.00 0.57 0.00 0.00 1.01 0.00 0.00 57.45 59.03 3i1s n PHE 76 Cb 0.02 1.49 0.00 0.00 -0.01 0.00 0.00 39.48 40.98 3i1s n PHE 76 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3i1s n GLY 77 N 0.06 0.74 3.07 1.37 0.00 0.24 -5.01 105.19 105.66 3i1s n GLY 77 Ca 0.00 -0.34 -0.16 0.00 0.00 0.00 0.00 46.02 45.52 3i1s n GLY 77 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i1s s LEU 78 N 0.00 2.18 0.89 0.99 1.02 -1.24 -1.58 118.68 120.93 3i1s s LEU 78 Ca 0.00 -0.43 -0.10 0.00 0.02 0.00 0.00 54.13 53.62 3i1s s LEU 78 Cb 0.00 -0.34 0.13 0.00 0.02 0.00 0.00 46.19 46.00 3i1s s LEU 78 CO 0.00 -0.07 1.13 -0.44 0.02 0.00 0.00 176.35 176.99 3i1s s SER 79 N -1.15 3.25 0.25 2.29 0.01 -1.26 -2.64 113.70 114.46 3i1s s SER 79 Ca -0.03 2.07 -0.06 0.00 1.31 0.00 0.00 55.95 59.24 3i1s s SER 79 Cb -0.08 -2.54 0.29 0.00 0.21 0.00 0.00 66.02 63.90 3i1s s SER 79 CO 0.01 -2.88 1.91 0.08 0.41 0.00 0.00 173.24 172.77 3i1s h ARG 80 N -1.71 1.22 0.00 12.44 0.11 -1.76 0.34 114.38 125.02 3i1s h ARG 80 Ca -0.44 -0.07 0.00 0.00 0.10 0.00 0.00 59.98 59.57 3i1s h ARG 80 Cb 1.26 -0.28 0.00 0.00 1.11 0.00 0.00 29.97 32.07 3i1s h ARG 80 CO 0.44 0.81 0.13 -0.84 0.10 0.00 0.00 179.97 180.61 3i1s h ILE 81 N 1.26 0.00 0.00 0.08 -0.00 -1.91 -1.79 117.51 115.15 3i1s h ILE 81 Ca 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 65.23 3i1s h ILE 81 Cb -0.06 0.82 0.00 0.00 -0.00 0.00 0.00 36.82 37.58 3i1s h ILE 81 CO -0.10 0.00 -0.12 0.29 -0.00 0.00 0.00 178.15 178.21 3i1s n LYS 82 N -2.92 0.08 -0.03 0.16 4.76 0.87 -3.68 118.16 117.40 3i1s n LYS 82 Ca -0.02 0.16 -0.01 0.00 -2.87 0.00 0.00 58.31 55.57 3i1s n LYS 82 Cb 0.18 -0.78 -0.01 0.00 -1.84 0.00 0.00 35.03 32.59 3i1s n LYS 82 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3i1s n VAL 83 N -2.72 -0.05 -0.14 -0.18 0.31 0.56 -0.78 118.33 115.32 3i1s n VAL 83 Ca -0.02 0.97 -0.05 0.00 -0.01 0.00 0.00 64.34 65.23 3i1s n VAL 83 Cb 0.06 -1.28 -0.04 0.00 -0.91 0.00 0.00 33.84 31.67 3i1s n VAL 83 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 3i1s h ARG 84 N 0.00 -0.05 -0.50 5.55 2.43 -1.57 2.95 114.38 123.19 3i1s h ARG 84 Ca 0.01 0.00 0.15 0.00 -0.81 0.00 0.00 59.98 59.33 3i1s h ARG 84 Cb 0.03 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 3i1s h ARG 84 CO -0.07 -0.03 0.80 1.49 -1.51 0.00 0.00 179.97 180.65 3i1s h GLU 85 N -0.05 0.00 0.00 0.20 4.81 -1.03 0.72 114.58 119.22 3i1s h GLU 85 Ca 0.06 0.00 -0.37 0.00 -0.13 0.00 0.00 59.36 58.92 3i1s h GLU 85 Cb 0.20 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.51 3i1s h GLU 85 CO -0.36 0.00 -2.40 0.00 -0.73 0.00 0.00 179.01 175.52 3i1s n ALA 86 N -2.09 1.47 0.15 2.92 0.00 0.57 -4.30 120.51 119.23 3i1s n ALA 86 Ca 0.10 -1.06 0.19 0.00 0.00 0.00 0.00 53.44 52.67 3i1s n ALA 86 Cb 0.97 -0.07 0.74 0.00 0.00 0.00 0.00 19.45 21.09 3i1s n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1s h ALA 87 N 0.03 1.92 0.00 0.00 0.00 1.12 0.18 119.26 122.51 3i1s h ALA 87 Ca -0.55 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.35 3i1s h ALA 87 Cb 1.86 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.68 3i1s h ALA 87 CO -0.08 -0.60 0.00 0.52 0.00 0.00 0.00 179.25 179.09 3i1s h MET 88 N 0.00 0.00 -0.34 0.00 2.07 -1.04 -3.25 114.93 112.37 3i1s h MET 88 Ca 0.15 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.78 3i1s h MET 88 Cb 1.03 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.76 3i1s h MET 88 CO -0.00 0.00 0.00 2.89 1.07 0.00 0.00 176.91 180.87 3i1s n ARG 89 N -2.85 2.91 -0.98 1.72 1.85 0.60 -4.94 116.66 114.97 3i1s n ARG 89 Ca 0.04 -2.25 0.00 0.00 -1.00 0.00 0.00 57.85 54.64 3i1s n ARG 89 Cb 0.48 -1.41 0.00 0.00 -1.05 0.00 0.00 32.46 30.48 3i1s n ARG 89 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3i1s n GLY 90 N 0.33 0.72 0.10 2.89 0.00 -1.12 -4.87 105.19 103.24 3i1s n GLY 90 Ca 0.14 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.23 3i1s n GLY 90 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i1s n GLU 91 N -2.31 0.08 -4.06 1.61 -0.58 -1.09 -4.14 120.64 110.15 3i1s n GLU 91 Ca 0.00 0.57 -0.33 0.00 -0.42 0.00 0.00 57.16 56.98 3i1s n GLU 91 Cb 0.02 -1.82 -0.15 0.00 -0.57 0.00 0.00 31.44 28.92 3i1s n GLU 91 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 3i1s s ILE 92 N -3.31 2.39 0.20 -3.67 1.01 -1.26 -4.99 121.20 111.57 3i1s s ILE 92 Ca -0.01 -0.92 -0.32 0.00 0.00 0.00 0.00 60.65 59.39 3i1s s ILE 92 Cb 0.04 -2.08 -0.13 0.00 0.01 0.00 0.00 42.46 40.30 3i1s s ILE 92 CO 0.12 0.44 1.64 -2.65 0.00 0.00 0.00 174.94 174.49 3i1s n PRO 93 N 4.64 2.52 0.00 2.79 -0.02 -1.26 -3.61 135.00 140.06 3i1s n PRO 93 Ca -0.19 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 3i1s n PRO 93 Cb 0.49 -2.71 0.00 0.00 -0.02 0.00 0.00 33.50 31.26 3i1s n PRO 93 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i1s n GLY 94 N 3.46 2.24 0.00 -1.23 0.00 -1.26 -4.94 105.19 103.45 3i1s n GLY 94 Ca 0.15 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3i1s n GLY 94 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3i1s n LEU 95 N 0.00 0.00 0.00 0.99 7.94 -1.24 -4.92 117.00 119.77 3i1s n LEU 95 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3i1s n LEU 95 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 3i1s n LEU 95 CO 0.00 0.00 0.00 2.29 -1.11 0.00 0.00 177.39 178.57 3i1s n LYS 96 N 0.00 2.27 -3.04 1.96 0.00 -1.26 -4.93 118.16 113.16 3i1s n LYS 96 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 58.31 57.91 3i1s n LYS 96 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 35.03 34.98 3i1s n LYS 96 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 3i1s s LYS 97 N -1.41 4.44 0.70 -1.58 1.02 -1.26 -5.06 119.74 116.59 3i1s s LYS 97 Ca 0.00 0.93 -0.05 0.00 0.02 0.00 0.00 55.97 56.87 3i1s s LYS 97 Cb 0.00 -3.40 0.08 0.00 -0.52 0.00 0.00 37.83 33.99 3i1s s LYS 97 CO 0.00 0.19 0.99 0.00 -0.92 0.00 0.00 175.35 175.61 3i1s s ALA 98 N 0.34 3.33 -0.26 5.17 0.00 -1.26 -5.05 121.76 124.03 3i1s s ALA 98 Ca 0.37 -1.18 0.10 0.00 0.00 0.00 0.00 51.96 51.25 3i1s s ALA 98 Cb -0.19 -2.40 0.31 0.00 0.00 0.00 0.00 23.12 20.84 3i1s s ALA 98 CO 0.20 -1.31 1.31 0.43 0.00 0.00 0.00 175.76 176.39 3i1s n SER 99 N -2.86 -1.15 -0.10 0.00 7.64 -1.26 -5.34 113.62 110.54 3i1s n SER 99 Ca 0.10 -1.95 0.01 0.00 1.01 0.00 0.00 58.87 58.04 3i1s n SER 99 Cb 0.60 0.54 0.01 0.00 -1.01 0.00 0.00 64.21 64.35 3i1s n SER 99 CO 0.00 0.00 0.00 -2.67 -3.01 0.00 0.00 175.04 169.36