#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i2v n PHE 2 N 0.00 -0.04 -3.93 1.12 3.72 -1.26 -4.89 117.46 112.18 2i2v n PHE 2 Ca 0.00 0.02 -0.30 0.00 -0.05 0.00 0.00 57.45 57.12 2i2v n PHE 2 Cb 0.00 -2.00 -0.13 0.00 -0.94 0.00 0.00 39.48 36.41 2i2v n PHE 2 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2i2v s THR 3 N -3.00 2.72 0.15 4.37 -4.23 -1.25 -0.78 115.64 113.61 2i2v s THR 3 Ca 0.00 -3.51 -0.30 0.00 -1.18 0.00 0.00 61.69 56.70 2i2v s THR 3 Cb -0.00 -2.86 -0.08 0.00 1.34 0.00 0.00 72.50 70.91 2i2v s THR 3 CO 0.01 -0.85 1.23 -0.63 -0.54 0.00 0.00 174.62 173.85 2i2v s ILE 4 N -0.53 3.59 -0.36 2.99 1.01 0.86 -4.83 121.20 123.93 2i2v s ILE 4 Ca 0.19 1.26 -0.18 0.00 0.00 0.00 0.00 60.65 61.92 2i2v s ILE 4 Cb -0.21 -3.81 0.00 0.00 0.01 0.00 0.00 42.46 38.45 2i2v s ILE 4 CO -0.04 0.17 0.53 0.54 0.00 0.00 0.00 174.94 176.14 2i2v s ASN 5 N 0.47 6.32 0.25 3.58 4.22 -1.26 -0.34 114.94 128.18 2i2v s ASN 5 Ca 0.56 -0.07 -0.02 0.00 -2.14 0.00 0.00 52.86 51.19 2i2v s ASN 5 Cb -0.33 -2.27 0.01 0.00 1.28 0.00 0.00 41.25 39.93 2i2v s ASN 5 CO 0.34 -0.52 0.36 0.00 -2.04 0.00 0.00 177.10 175.25 2i2v n ALA 6 N 5.79 -0.27 -3.64 3.54 0.00 -1.21 -3.75 120.51 120.98 2i2v n ALA 6 Ca -0.04 -1.17 -0.09 0.00 0.00 0.00 0.00 53.44 52.14 2i2v n ALA 6 Cb 0.49 0.94 -0.02 0.00 0.00 0.00 0.00 19.45 20.86 2i2v n ALA 6 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2i2v s GLU 7 N -2.57 1.40 0.59 0.00 -1.05 -1.25 -4.16 118.70 111.67 2i2v s GLU 7 Ca 0.21 -0.67 -0.20 0.00 -0.15 0.00 0.00 54.97 54.16 2i2v s GLU 7 Cb -0.01 0.55 -0.03 0.00 -0.44 0.00 0.00 34.13 34.20 2i2v s GLU 7 CO 0.15 -0.63 1.31 0.28 0.95 0.00 0.00 175.26 177.32 2i2v n VAL 8 N -0.41 4.29 -3.36 1.83 0.31 -1.26 -1.00 118.33 118.74 2i2v n VAL 8 Ca -0.10 -0.50 -0.39 0.00 -0.01 0.00 0.00 64.34 63.34 2i2v n VAL 8 Cb 0.62 -1.56 -0.08 0.00 -0.91 0.00 0.00 33.84 31.91 2i2v n VAL 8 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2i2v s ARG 9 N -3.07 4.09 0.07 5.55 1.81 0.13 -4.71 118.95 122.82 2i2v s ARG 9 Ca 0.76 0.16 -0.13 0.00 -1.72 0.00 0.00 55.73 54.80 2i2v s ARG 9 Cb -0.40 -3.61 -0.24 0.00 -0.45 0.00 0.00 34.95 30.25 2i2v s ARG 9 CO 0.45 -0.19 1.17 -0.22 -0.68 0.00 0.00 175.30 175.83 2i2v h LYS 10 N 7.81 0.65 -6.66 3.54 3.64 -1.93 -3.46 116.57 120.16 2i2v h LYS 10 Ca -0.33 -0.76 -0.67 0.00 -1.27 0.00 0.00 60.65 57.62 2i2v h LYS 10 Cb 1.16 0.23 -0.17 0.00 -0.41 0.00 0.00 32.23 33.03 2i2v h LYS 10 CO 0.69 1.33 -0.78 -1.21 -2.27 0.00 0.00 179.45 177.21 2i2v s GLU 11 N -3.19 1.89 0.16 1.90 2.02 -1.26 -5.14 118.70 115.08 2i2v s GLU 11 Ca -0.09 -1.15 -0.05 0.00 0.02 0.00 0.00 54.97 53.69 2i2v s GLU 11 Cb 0.07 -2.17 -0.02 0.00 0.10 0.00 0.00 34.13 32.11 2i2v s GLU 11 CO 0.92 0.48 0.20 1.14 0.02 0.00 0.00 175.26 178.02 2i2v s GLN 12 N -2.22 1.10 0.00 1.61 1.03 -1.26 -4.83 119.66 115.09 2i2v s GLN 12 Ca 0.19 -1.32 0.00 0.00 0.04 0.00 0.00 55.36 54.28 2i2v s GLN 12 Cb -0.11 0.32 0.00 0.00 0.03 0.00 0.00 33.01 33.26 2i2v s GLN 12 CO 0.11 -0.37 0.00 0.41 -2.54 0.00 0.00 175.29 172.90 2i2v n GLY 13 N -0.18 2.40 0.36 2.60 0.00 -1.26 -4.38 105.19 104.73 2i2v n GLY 13 Ca -0.06 -1.96 0.04 0.00 0.00 0.00 0.00 46.02 44.04 2i2v n GLY 13 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2i2v n LYS 14 N 0.92 -0.13 0.33 1.61 4.81 -1.26 -0.74 118.16 123.70 2i2v n LYS 14 Ca 0.00 1.53 -0.16 0.00 -0.87 0.00 0.00 58.31 58.81 2i2v n LYS 14 Cb 0.00 -2.28 -0.08 0.00 0.02 0.00 0.00 35.03 32.69 2i2v n LYS 14 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 2i2v h GLY 15 N 0.00 -1.16 0.58 3.14 0.00 -2.01 -2.57 103.07 101.05 2i2v h GLY 15 Ca 0.43 0.49 0.06 0.00 0.00 0.00 0.00 47.33 48.31 2i2v h GLY 15 CO -1.00 -0.38 0.19 0.00 0.00 0.00 0.00 176.54 175.35 2i2v h ALA 16 N -1.26 0.61 -0.33 3.60 0.00 -1.58 -2.79 119.26 117.52 2i2v h ALA 16 Ca -0.08 0.05 0.07 0.00 0.00 0.00 0.00 54.91 54.96 2i2v h ALA 16 Cb 0.77 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.49 2i2v h ALA 16 CO 0.05 -0.19 -0.26 0.77 0.00 0.00 0.00 179.25 179.62 2i2v h SER 17 N 0.38 -0.84 -0.74 0.00 0.02 -0.91 -1.58 113.55 109.88 2i2v h SER 17 Ca 0.23 0.16 0.07 0.00 -0.84 0.00 0.00 61.79 61.41 2i2v h SER 17 Cb 0.22 0.41 -0.06 0.00 0.14 0.00 0.00 62.40 63.11 2i2v h SER 17 CO -0.22 -0.28 0.42 0.03 -1.14 0.00 0.00 176.83 175.64 2i2v h ARG 18 N -0.22 0.74 -0.69 3.45 3.08 -1.21 -2.35 114.38 117.18 2i2v h ARG 18 Ca 0.16 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.18 2i2v h ARG 18 Cb 0.48 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 30.33 2i2v h ARG 18 CO -0.46 0.49 0.45 0.00 -1.07 0.00 0.00 179.97 179.38 2i2v h ARG 19 N 0.76 0.88 0.39 0.04 3.08 -1.07 -2.26 114.38 116.19 2i2v h ARG 19 Ca 0.34 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.31 2i2v h ARG 19 Cb 0.23 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.08 2i2v h ARG 19 CO -0.20 0.58 -0.19 -0.07 -1.07 0.00 0.00 179.97 179.03 2i2v h LEU 20 N 0.90 -0.44 -2.41 3.04 3.38 -0.82 -2.05 115.31 116.91 2i2v h LEU 20 Ca 0.26 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.25 2i2v h LEU 20 Cb -0.06 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 2i2v h LEU 20 CO -0.07 -0.28 0.13 0.03 0.09 0.00 0.00 178.44 178.34 2i2v h ARG 21 N -0.56 0.00 0.00 1.13 3.08 -0.84 0.30 114.38 117.49 2i2v h ARG 21 Ca -0.05 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 2i2v h ARG 21 Cb 0.42 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.47 2i2v h ARG 21 CO 0.09 0.00 -0.03 0.00 -1.07 0.00 0.00 179.97 178.96 2i2v h ALA 22 N 1.81 1.06 -0.85 0.04 0.00 -0.75 -2.33 119.26 118.23 2i2v h ALA 22 Ca 0.04 -0.02 -0.56 0.00 0.00 0.00 0.00 54.91 54.37 2i2v h ALA 22 Cb 0.31 -0.00 -0.42 0.00 0.00 0.00 0.00 17.79 17.67 2i2v h ALA 22 CO -0.00 0.03 -0.75 0.00 0.00 0.00 0.00 179.25 178.53 2i2v n ALA 23 N -2.13 5.07 0.00 0.00 0.00 0.11 -4.98 120.51 118.58 2i2v n ALA 23 Ca -0.01 -3.85 0.00 0.00 0.00 0.00 0.00 53.44 49.58 2i2v n ALA 23 Cb 0.20 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.25 2i2v n ALA 23 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2i2v n ASN 24 N -0.69 0.00 -4.63 0.00 4.13 -0.88 -4.91 115.26 108.29 2i2v n ASN 24 Ca 0.44 0.00 -0.55 0.00 1.68 0.00 0.00 54.58 56.15 2i2v n ASN 24 Cb 0.92 0.00 -0.07 0.00 -1.54 0.00 0.00 39.78 39.09 2i2v n ASN 24 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 2i2v n LYS 25 N 0.00 1.04 -5.17 3.52 5.02 -1.22 -3.67 118.16 117.68 2i2v n LYS 25 Ca 0.00 0.38 -0.32 0.00 -2.02 0.00 0.00 58.31 56.35 2i2v n LYS 25 Cb 0.00 -2.02 -0.15 0.00 -0.02 0.00 0.00 35.03 32.84 2i2v n LYS 25 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 2i2v s PHE 26 N 1.50 2.48 0.98 2.13 -0.12 -0.92 -1.38 117.98 122.65 2i2v s PHE 26 Ca 0.90 -0.51 -0.12 0.00 -0.05 0.00 0.00 56.93 57.15 2i2v s PHE 26 Cb -1.03 -1.59 0.18 0.00 -0.63 0.00 0.00 43.02 39.95 2i2v s PHE 26 CO 0.55 -0.08 1.08 -1.25 -0.05 0.00 0.00 175.22 175.47 2i2v s PRO 27 N -0.39 0.53 0.00 1.99 0.04 -1.26 -2.82 135.00 133.09 2i2v s PRO 27 Ca 0.03 0.96 0.00 0.00 0.04 0.00 0.00 61.00 62.04 2i2v s PRO 27 Cb -0.12 -1.71 0.00 0.00 0.04 0.00 0.00 34.50 32.71 2i2v s PRO 27 CO 0.02 -2.78 0.00 0.00 0.04 0.00 0.00 177.00 174.28 2i2v n ALA 28 N -4.27 0.00 -2.99 8.56 0.00 -0.57 -4.20 120.51 117.03 2i2v n ALA 28 Ca 0.07 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.41 2i2v n ALA 28 Cb 0.54 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.88 2i2v n ALA 28 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2i2v s ILE 29 N -2.00 0.10 -0.07 0.00 -5.25 -1.25 -0.15 121.20 112.57 2i2v s ILE 29 Ca 0.00 -0.86 0.01 0.00 -0.99 0.00 0.00 60.65 58.81 2i2v s ILE 29 Cb 0.00 -0.27 -0.03 0.00 2.95 0.00 0.00 42.46 45.11 2i2v s ILE 29 CO 0.00 -0.47 -0.07 -0.63 -1.79 0.00 0.00 174.94 171.98 2i2v s ILE 30 N -1.41 3.73 0.09 8.37 1.01 0.55 -2.53 121.20 131.01 2i2v s ILE 30 Ca -0.15 -0.47 -0.11 0.00 0.00 0.00 0.00 60.65 59.92 2i2v s ILE 30 Cb -0.09 -2.53 0.01 0.00 0.01 0.00 0.00 42.46 39.85 2i2v s ILE 30 CO -0.01 0.60 0.25 -0.72 0.00 0.00 0.00 174.94 175.06 2i2v s TYR 31 N -0.77 0.03 0.00 3.97 -0.85 0.46 0.14 117.35 120.34 2i2v s TYR 31 Ca 0.12 -0.40 0.00 0.00 -0.52 0.00 0.00 57.07 56.27 2i2v s TYR 31 Cb -0.11 0.04 0.00 0.00 0.38 0.00 0.00 41.96 42.27 2i2v s TYR 31 CO 0.02 -0.58 0.00 0.41 -1.52 0.00 0.00 175.55 173.88 2i2v n GLY 32 N -0.01 2.94 6.81 5.49 0.00 -1.26 -1.95 105.19 117.20 2i2v n GLY 32 Ca -0.16 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 43.91 2i2v n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2i2v n GLY 33 N -1.42 1.99 0.00 -0.02 0.00 -1.26 -3.74 105.19 100.74 2i2v n GLY 33 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.60 2i2v n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2i2v n LYS 34 N 7.30 0.00 -4.42 1.61 5.02 -1.26 -5.07 118.16 121.34 2i2v n LYS 34 Ca 0.00 -0.15 -0.34 0.00 -2.02 0.00 0.00 58.31 55.80 2i2v n LYS 34 Cb 0.00 -0.48 -0.12 0.00 -0.02 0.00 0.00 35.03 34.41 2i2v n LYS 34 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 2i2v s GLU 35 N 0.00 3.58 0.51 1.97 -1.05 -1.25 -5.09 118.70 117.37 2i2v s GLU 35 Ca 0.00 -0.51 -0.20 0.00 -0.15 0.00 0.00 54.97 54.11 2i2v s GLU 35 Cb 0.00 -2.89 -0.10 0.00 -0.44 0.00 0.00 34.13 30.70 2i2v s GLU 35 CO 0.00 0.30 0.52 0.00 0.95 0.00 0.00 175.26 177.03 2i2v n ALA 36 N 3.36 -1.29 -1.46 -0.84 0.00 -1.26 -4.33 120.51 114.69 2i2v n ALA 36 Ca -0.17 0.05 -0.38 0.00 0.00 0.00 0.00 53.44 52.94 2i2v n ALA 36 Cb 0.53 -1.80 0.04 0.00 0.00 0.00 0.00 19.45 18.21 2i2v n ALA 36 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2i2v n PRO 37 N 0.28 0.51 -3.93 0.00 -0.02 -1.26 -4.92 135.00 125.66 2i2v n PRO 37 Ca 0.11 0.20 -0.35 0.00 -2.02 0.00 0.00 63.50 61.44 2i2v n PRO 37 Cb 0.44 -1.68 -0.14 0.00 -0.02 0.00 0.00 33.50 32.10 2i2v n PRO 37 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2i2v s LEU 38 N 0.86 3.43 -0.59 2.45 2.96 0.37 -4.90 118.68 123.26 2i2v s LEU 38 Ca 0.68 -0.98 -0.27 0.00 -0.22 0.00 0.00 54.13 53.35 2i2v s LEU 38 Cb -0.45 -1.69 0.04 0.00 0.50 0.00 0.00 46.19 44.58 2i2v s LEU 38 CO 0.55 -0.17 1.11 0.00 -1.32 0.00 0.00 176.35 176.51 2i2v s ALA 39 N 1.31 3.03 0.42 5.97 0.00 -1.26 -0.33 121.76 130.91 2i2v s ALA 39 Ca -0.01 -1.05 0.07 0.00 0.00 0.00 0.00 51.96 50.96 2i2v s ALA 39 Cb -0.18 -3.95 -0.06 0.00 0.00 0.00 0.00 23.12 18.94 2i2v s ALA 39 CO -0.03 -2.63 0.09 0.96 0.00 0.00 0.00 175.76 174.15 2i2v s ILE 40 N 4.65 2.05 -0.26 0.00 -0.00 0.78 0.20 121.20 128.62 2i2v s ILE 40 Ca 0.37 -1.86 -0.04 0.00 -0.00 0.00 0.00 60.65 59.12 2i2v s ILE 40 Cb -0.10 -2.91 0.09 0.00 -0.00 0.00 0.00 42.46 39.55 2i2v s ILE 40 CO 0.22 0.00 0.12 -1.83 -0.00 0.00 0.00 174.94 173.45 2i2v s GLU 41 N -3.82 0.19 0.72 0.37 -1.05 -0.17 -1.52 118.70 113.42 2i2v s GLU 41 Ca 0.35 -0.45 -0.07 0.00 -0.15 0.00 0.00 54.97 54.66 2i2v s GLU 41 Cb 0.06 -1.35 0.07 0.00 -0.44 0.00 0.00 34.13 32.47 2i2v s GLU 41 CO 0.19 -0.93 1.03 -0.48 0.95 0.00 0.00 175.26 176.01 2i2v s LEU 42 N 2.09 2.80 -0.21 1.83 2.34 -1.13 -3.80 118.68 122.60 2i2v s LEU 42 Ca 0.07 0.44 -0.20 0.00 0.06 0.00 0.00 54.13 54.50 2i2v s LEU 42 Cb -0.16 -3.05 -0.02 0.00 -0.56 0.00 0.00 46.19 42.39 2i2v s LEU 42 CO -0.30 -1.66 0.62 -0.62 -1.06 0.00 0.00 176.35 173.33 2i2v s ASP 43 N -4.54 6.64 0.00 1.48 -1.08 -1.25 -2.17 116.67 115.76 2i2v s ASP 43 Ca 0.61 0.78 0.00 0.00 -0.52 0.00 0.00 52.55 53.42 2i2v s ASP 43 Cb -0.10 -2.34 0.00 0.00 -1.46 0.00 0.00 42.92 39.02 2i2v s ASP 43 CO 0.45 -0.29 0.31 1.57 0.52 0.00 0.00 175.17 177.73 2i2v n HIS 44 N 5.21 0.00 -0.14 -5.34 -0.00 -1.24 -1.67 115.22 112.04 2i2v n HIS 44 Ca -0.01 0.00 0.09 0.00 -0.00 0.00 0.00 57.72 57.80 2i2v n HIS 44 Cb 0.50 0.00 0.17 0.00 -0.00 0.00 0.00 29.99 30.66 2i2v n HIS 44 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 2i2v n ASP 45 N -0.47 0.03 0.06 0.26 8.00 -1.26 -0.52 116.55 122.65 2i2v n ASP 45 Ca 0.00 0.72 -0.02 0.00 0.71 0.00 0.00 54.79 56.19 2i2v n ASP 45 Cb 0.00 -0.30 -0.01 0.00 -0.02 0.00 0.00 41.12 40.79 2i2v n ASP 45 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 2i2v h LYS 46 N 0.00 -0.15 -0.63 -1.24 1.63 -1.95 -3.11 116.57 111.12 2i2v h LYS 46 Ca 0.30 0.01 0.16 0.00 -0.85 0.00 0.00 60.65 60.27 2i2v h LYS 46 Cb 0.70 0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 32.33 2i2v h LYS 46 CO -0.37 -0.10 0.44 0.28 -3.45 0.00 0.00 179.45 176.24 2i2v h VAL 47 N -0.20 0.74 -0.06 2.00 2.07 0.04 -2.43 116.25 118.42 2i2v h VAL 47 Ca -0.02 -0.05 0.02 0.00 0.82 0.00 0.00 66.70 67.48 2i2v h VAL 47 Cb 0.12 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 2i2v h VAL 47 CO 0.03 0.02 -0.08 -0.03 0.02 0.00 0.00 177.57 177.53 2i2v h MET 48 N 0.13 -0.10 0.00 1.57 1.85 -0.83 -1.35 114.93 116.20 2i2v h MET 48 Ca 0.30 0.01 -0.05 0.00 -0.61 0.00 0.00 59.70 59.35 2i2v h MET 48 Cb 1.01 0.02 -0.01 0.00 0.43 0.00 0.00 31.60 33.05 2i2v h MET 48 CO -0.04 -0.07 -0.24 -0.91 -0.40 0.00 0.00 176.91 175.25 2i2v h ASN 49 N -0.11 0.00 -0.02 1.39 2.35 -1.37 -3.07 115.58 114.76 2i2v h ASN 49 Ca 0.05 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.79 2i2v h ASN 49 Cb 0.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.55 2i2v h ASN 49 CO -0.12 0.24 -0.03 0.24 -1.65 0.00 0.00 177.43 176.11 2i2v h MET 50 N 0.00 0.05 0.00 0.81 2.86 -1.34 -2.97 114.93 114.34 2i2v h MET 50 Ca -0.00 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2i2v h MET 50 Cb 0.51 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.17 2i2v h MET 50 CO 0.03 0.60 0.04 -0.56 1.06 0.00 0.00 176.91 178.08 2i2v h GLN 51 N -0.50 0.00 -0.52 1.72 -0.00 -1.18 -1.41 115.11 113.22 2i2v h GLN 51 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 58.65 58.67 2i2v h GLN 51 Cb 0.60 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 28.05 2i2v h GLN 51 CO 0.01 0.00 0.34 0.00 -0.00 0.00 0.00 178.83 179.18 2i2v h ALA 52 N 1.90 1.70 -2.90 0.06 0.00 -1.43 -3.41 119.26 115.19 2i2v h ALA 52 Ca 0.00 -0.03 -0.60 0.00 0.00 0.00 0.00 54.91 54.28 2i2v h ALA 52 Cb 0.08 -0.18 -0.08 0.00 0.00 0.00 0.00 17.79 17.61 2i2v h ALA 52 CO 0.00 0.25 -0.27 0.21 0.00 0.00 0.00 179.25 179.44 2i2v s LYS 53 N -5.56 4.09 0.36 0.00 2.36 -0.53 -4.99 119.74 115.48 2i2v s LYS 53 Ca -0.09 0.22 0.11 0.00 -2.55 0.00 0.00 55.97 53.67 2i2v s LYS 53 Cb 0.18 -3.34 0.90 0.00 -1.05 0.00 0.00 37.83 34.51 2i2v s LYS 53 CO 0.74 0.41 1.84 0.00 1.55 0.00 0.00 175.35 179.90 2i2v h ALA 54 N 5.93 1.93 -1.18 3.13 0.00 -1.86 -2.15 119.26 125.07 2i2v h ALA 54 Ca -0.46 0.03 0.40 0.00 0.00 0.00 0.00 54.91 54.89 2i2v h ALA 54 Cb 1.19 -0.08 -0.14 0.00 0.00 0.00 0.00 17.79 18.76 2i2v h ALA 54 CO 0.70 -0.23 0.72 0.93 0.00 0.00 0.00 179.25 181.37 2i2v h GLU 55 N 0.61 0.12 -0.44 0.00 5.08 -1.94 0.19 114.58 118.21 2i2v h GLU 55 Ca 0.49 -0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.94 2i2v h GLU 55 Cb 0.95 -0.03 -0.09 0.00 0.50 0.00 0.00 28.75 30.08 2i2v h GLU 55 CO -0.24 0.08 -0.16 0.35 -1.00 0.00 0.00 179.01 178.04 2i2v h PHE 56 N 0.13 -0.37 0.00 4.33 3.57 -1.64 0.25 116.94 123.21 2i2v h PHE 56 Ca 0.80 0.04 0.00 0.00 3.53 0.00 0.00 57.97 62.35 2i2v h PHE 56 Cb 2.29 0.23 0.00 0.00 2.79 0.00 0.00 35.95 41.26 2i2v h PHE 56 CO -0.01 -0.24 0.00 0.66 -2.23 0.00 0.00 178.31 176.49 2i2v n TYR 57 N -5.36 0.00 0.00 0.41 0.53 0.66 -4.45 117.16 108.95 2i2v n TYR 57 Ca 0.03 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.91 2i2v n TYR 57 Cb 0.27 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.58 2i2v n TYR 57 CO 0.00 0.00 0.00 0.43 -1.02 0.00 0.00 176.86 176.27 2i2v n SER 58 N -0.76 0.00 -4.29 7.72 7.64 0.62 -4.84 113.62 119.72 2i2v n SER 58 Ca 0.12 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.67 2i2v n SER 58 Cb 0.05 0.00 0.13 0.00 -1.01 0.00 0.00 64.21 63.39 2i2v n SER 58 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2i2v n GLU 59 N -0.85 -0.87 -2.59 1.43 0.00 0.33 -4.92 120.64 113.18 2i2v n GLU 59 Ca 0.00 -0.23 -0.41 0.00 0.00 0.00 0.00 57.16 56.52 2i2v n GLU 59 Cb 0.00 -1.66 -0.04 0.00 0.00 0.00 0.00 31.44 29.74 2i2v n GLU 59 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 2i2v s VAL 60 N -2.26 3.95 0.21 6.31 1.01 -1.26 -4.83 120.40 123.53 2i2v s VAL 60 Ca 0.54 1.76 0.06 0.00 0.00 0.00 0.00 61.98 64.33 2i2v s VAL 60 Cb -0.14 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 2i2v s VAL 60 CO 0.68 0.34 0.20 -0.76 0.00 0.00 0.00 175.10 175.56 2i2v s LEU 61 N -0.61 3.92 -0.23 3.92 1.43 -0.70 -4.85 118.68 121.56 2i2v s LEU 61 Ca 0.47 -0.13 -0.04 0.00 -1.03 0.00 0.00 54.13 53.39 2i2v s LEU 61 Cb -0.28 -2.48 0.08 0.00 0.03 0.00 0.00 46.19 43.54 2i2v s LEU 61 CO 0.34 0.00 0.11 0.42 0.23 0.00 0.00 176.35 177.45 2i2v s THR 62 N -1.95 -0.07 -0.51 5.49 -4.23 0.04 -0.55 115.64 113.86 2i2v s THR 62 Ca 0.32 -0.45 -0.22 0.00 -1.18 0.00 0.00 61.69 60.17 2i2v s THR 62 Cb -0.09 -0.77 0.04 0.00 1.34 0.00 0.00 72.50 73.02 2i2v s THR 62 CO 0.25 -0.49 0.76 -0.63 -0.54 0.00 0.00 174.62 173.96 2i2v s ILE 63 N 2.12 4.67 -0.62 2.99 1.09 -1.26 -0.10 121.20 130.10 2i2v s ILE 63 Ca 0.05 -0.03 -0.27 0.00 -1.10 0.00 0.00 60.65 59.30 2i2v s ILE 63 Cb -0.16 -4.37 0.01 0.00 -1.06 0.00 0.00 42.46 36.88 2i2v s ILE 63 CO -0.22 -0.87 1.48 -0.69 -0.10 0.00 0.00 174.94 174.54 2i2v s VAL 64 N 3.19 3.67 -0.11 2.92 1.01 0.54 -4.59 120.40 127.03 2i2v s VAL 64 Ca 0.23 0.50 0.03 0.00 0.00 0.00 0.00 61.98 62.74 2i2v s VAL 64 Cb -0.15 -4.45 0.00 0.00 0.00 0.00 0.00 36.38 31.78 2i2v s VAL 64 CO 0.17 -1.29 -0.23 0.68 0.00 0.00 0.00 175.10 174.43 2i2v s VAL 65 N 6.64 2.12 0.00 2.92 -7.23 -1.26 -3.33 120.40 120.27 2i2v s VAL 65 Ca 0.51 -0.99 0.00 0.00 -1.81 0.00 0.00 61.98 59.70 2i2v s VAL 65 Cb -0.11 -1.82 0.00 0.00 0.56 0.00 0.00 36.38 35.01 2i2v s VAL 65 CO 0.21 0.55 0.00 -0.90 -0.31 0.00 0.00 175.10 174.66 2i2v n ASP 66 N 3.67 0.00 0.00 4.85 5.75 -1.26 -1.14 116.55 128.41 2i2v n ASP 66 Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.59 2i2v n ASP 66 Cb 0.53 -2.04 0.00 0.00 -1.03 0.00 0.00 41.12 38.57 2i2v n ASP 66 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2i2v n GLY 67 N -1.96 1.84 3.84 6.12 0.00 -1.26 -5.11 105.19 108.66 2i2v n GLY 67 Ca 0.00 -0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 2i2v n GLY 67 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2i2v s LYS 68 N -1.00 2.23 0.53 1.61 -2.85 -0.29 -5.14 119.74 114.83 2i2v s LYS 68 Ca 0.00 -2.16 -0.02 0.00 -1.00 0.00 0.00 55.97 52.79 2i2v s LYS 68 Cb 0.00 -1.87 0.01 0.00 -2.06 0.00 0.00 37.83 33.91 2i2v s LYS 68 CO 0.00 -0.49 0.79 -2.00 0.10 0.00 0.00 175.35 173.74 2i2v s GLU 69 N -4.11 2.85 0.12 1.78 -6.30 -1.26 -4.17 118.70 107.61 2i2v s GLU 69 Ca 0.23 -0.38 0.00 0.00 -2.50 0.00 0.00 54.97 52.32 2i2v s GLU 69 Cb -0.00 -2.43 0.00 0.00 0.00 0.00 0.00 34.13 31.70 2i2v s GLU 69 CO 0.14 -0.56 0.00 0.44 0.02 0.00 0.00 175.26 175.30 2i2v n ILE 70 N -2.35 0.00 -2.86 -3.70 -0.00 -1.26 -4.92 119.36 104.27 2i2v n ILE 70 Ca 0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 62.75 62.78 2i2v n ILE 70 Cb 0.58 -0.06 -0.01 0.00 -0.00 0.00 0.00 39.64 40.15 2i2v n ILE 70 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 2i2v n LYS 71 N -2.79 -2.65 -4.50 6.28 5.02 -1.24 -4.65 118.16 113.62 2i2v n LYS 71 Ca 0.00 2.23 -0.27 0.00 -2.02 0.00 0.00 58.31 58.25 2i2v n LYS 71 Cb 0.00 -3.56 -0.07 0.00 -0.02 0.00 0.00 35.03 31.38 2i2v n LYS 71 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 2i2v n VAL 72 N 1.36 0.00 -4.33 -0.18 0.24 0.29 -1.85 118.33 113.86 2i2v n VAL 72 Ca -0.10 -2.42 -0.22 0.00 -2.04 0.00 0.00 64.34 59.56 2i2v n VAL 72 Cb 0.28 0.78 -0.13 0.00 -1.47 0.00 0.00 33.84 33.30 2i2v n VAL 72 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2i2v s LYS 73 N -3.64 1.06 -0.52 7.34 -0.14 -0.20 -1.72 119.74 121.91 2i2v s LYS 73 Ca 0.16 -0.99 -0.29 0.00 -1.36 0.00 0.00 55.97 53.50 2i2v s LYS 73 Cb 0.01 -1.18 0.03 0.00 -1.68 0.00 0.00 37.83 35.00 2i2v s LYS 73 CO 0.12 0.28 1.22 0.00 -0.76 0.00 0.00 175.35 176.21 2i2v s ALA 74 N -1.06 3.04 0.00 5.17 0.00 -1.26 -1.61 121.76 126.04 2i2v s ALA 74 Ca 0.04 -0.60 0.00 0.00 0.00 0.00 0.00 51.96 51.40 2i2v s ALA 74 Cb -0.09 -3.98 0.00 0.00 0.00 0.00 0.00 23.12 19.05 2i2v s ALA 74 CO 0.03 -2.51 0.00 1.04 0.00 0.00 0.00 175.76 174.32 2i2v n GLN 75 N 8.19 0.00 -3.58 0.00 1.13 0.52 -4.97 117.38 118.68 2i2v n GLN 75 Ca 0.11 0.00 -0.21 0.00 -1.94 0.00 0.00 57.00 54.97 2i2v n GLN 75 Cb 0.49 -0.10 -0.01 0.00 0.11 0.00 0.00 30.24 30.73 2i2v n GLN 75 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2i2v s ASP 76 N -1.00 6.11 -0.24 1.08 1.01 -1.23 -4.88 116.67 117.53 2i2v s ASP 76 Ca 0.00 0.02 -0.03 0.00 0.71 0.00 0.00 52.55 53.25 2i2v s ASP 76 Cb 0.00 -1.56 0.13 0.00 1.01 0.00 0.00 42.92 42.49 2i2v s ASP 76 CO 0.00 -0.32 0.35 0.54 0.21 0.00 0.00 175.17 175.95 2i2v s VAL 77 N -2.16 -0.56 -0.80 -1.27 0.11 -1.26 -0.20 120.40 114.26 2i2v s VAL 77 Ca 0.41 -0.08 -0.15 0.00 -2.93 0.00 0.00 61.98 59.22 2i2v s VAL 77 Cb -0.09 -0.80 0.19 0.00 -1.53 0.00 0.00 36.38 34.15 2i2v s VAL 77 CO 0.32 -0.14 0.79 -1.10 -3.33 0.00 0.00 175.10 171.64 2i2v s GLN 78 N 2.51 3.51 0.74 1.54 -0.21 0.19 -4.97 119.66 122.97 2i2v s GLN 78 Ca 0.12 -2.21 -0.10 0.00 0.02 0.00 0.00 55.36 53.19 2i2v s GLN 78 Cb -0.15 -4.48 0.06 0.00 1.00 0.00 0.00 33.01 29.43 2i2v s GLN 78 CO -0.16 -1.39 1.10 -0.98 -2.12 0.00 0.00 175.29 171.75 2i2v s ARG 79 N 0.86 2.29 0.46 2.91 1.70 -1.26 0.33 118.95 126.24 2i2v s ARG 79 Ca 0.18 0.08 -0.23 0.00 -0.47 0.00 0.00 55.73 55.29 2i2v s ARG 79 Cb -0.12 -2.05 -0.07 0.00 -0.57 0.00 0.00 34.95 32.14 2i2v s ARG 79 CO -0.07 -1.31 1.23 -1.58 -1.08 0.00 0.00 175.30 172.49 2i2v s HIS 80 N -3.40 2.75 0.39 5.89 5.65 0.13 -4.68 115.29 122.02 2i2v s HIS 80 Ca 0.60 1.48 0.17 0.00 0.25 0.00 0.00 55.06 57.56 2i2v s HIS 80 Cb -0.11 -3.53 1.08 0.00 -1.18 0.00 0.00 32.58 28.84 2i2v s HIS 80 CO 0.48 -1.90 1.77 -1.35 -0.65 0.00 0.00 174.74 173.09 2i2v h PRO 81 N 2.08 0.41 0.00 2.88 0.11 -1.96 -3.37 132.00 132.15 2i2v h PRO 81 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2i2v h PRO 81 Cb 1.26 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2i2v h PRO 81 CO 0.60 0.27 0.00 2.48 -0.21 0.00 0.00 178.00 181.14 2i2v n TYR 82 N -4.64 0.00 -2.96 0.65 0.18 -1.26 -5.11 117.16 104.02 2i2v n TYR 82 Ca 0.25 0.00 -0.40 0.00 1.88 0.00 0.00 57.90 59.63 2i2v n TYR 82 Cb 0.85 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 39.76 2i2v n TYR 82 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 2i2v s LYS 83 N 0.00 4.56 0.00 -3.48 1.02 -1.26 -4.92 119.74 115.65 2i2v s LYS 83 Ca 0.00 1.15 -0.28 0.00 0.02 0.00 0.00 55.97 56.86 2i2v s LYS 83 Cb 0.00 -3.31 -0.34 0.00 -0.52 0.00 0.00 37.83 33.66 2i2v s LYS 83 CO 0.00 0.43 1.52 -2.30 -0.92 0.00 0.00 175.35 174.07 2i2v n PRO 84 N 2.18 0.00 -3.66 -1.68 -0.02 -1.26 -4.22 135.00 126.34 2i2v n PRO 84 Ca -0.04 -0.94 -0.05 0.00 -2.02 0.00 0.00 63.50 60.46 2i2v n PRO 84 Cb 0.49 -2.43 -0.01 0.00 -0.02 0.00 0.00 33.50 31.53 2i2v n PRO 84 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 2i2v s LYS 85 N 6.75 0.96 0.42 -0.52 -2.85 -1.26 -5.07 119.74 118.17 2i2v s LYS 85 Ca 0.62 -0.48 0.07 0.00 -1.00 0.00 0.00 55.97 55.18 2i2v s LYS 85 Cb 0.13 0.36 -0.03 0.00 -2.06 0.00 0.00 37.83 36.24 2i2v s LYS 85 CO 0.31 -0.43 0.33 -0.48 0.10 0.00 0.00 175.35 175.18 2i2v s LEU 86 N -2.77 3.29 0.00 2.77 0.05 -1.26 0.20 118.68 120.95 2i2v s LEU 86 Ca 0.10 -0.85 0.00 0.00 0.05 0.00 0.00 54.13 53.43 2i2v s LEU 86 Cb -0.01 -1.86 0.00 0.00 -2.05 0.00 0.00 46.19 42.28 2i2v s LEU 86 CO -0.02 -0.65 0.00 0.00 -0.55 0.00 0.00 176.35 175.13 2i2v n GLN 87 N -1.48 2.15 -3.59 1.48 6.02 0.15 -4.67 117.38 117.43 2i2v n GLN 87 Ca 0.02 0.00 -0.06 0.00 -0.01 0.00 0.00 57.00 56.95 2i2v n GLN 87 Cb 0.63 -0.21 -0.04 0.00 1.02 0.00 0.00 30.24 31.64 2i2v n GLN 87 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 2i2v s HIS 88 N -0.27 -0.21 -0.22 1.08 5.04 -0.91 -4.22 115.29 115.58 2i2v s HIS 88 Ca 0.00 0.28 -0.13 0.00 -1.54 0.00 0.00 55.06 53.67 2i2v s HIS 88 Cb 0.00 0.49 0.07 0.00 0.04 0.00 0.00 32.58 33.18 2i2v s HIS 88 CO 0.00 -0.23 0.54 0.96 -2.34 0.00 0.00 174.74 173.67 2i2v s ILE 89 N -1.61 -0.01 0.01 0.89 -5.25 -1.26 0.56 121.20 114.53 2i2v s ILE 89 Ca 0.05 0.05 -0.22 0.00 -0.99 0.00 0.00 60.65 59.53 2i2v s ILE 89 Cb -0.01 -0.79 -0.05 0.00 2.95 0.00 0.00 42.46 44.56 2i2v s ILE 89 CO -0.04 0.02 0.67 -1.81 -1.79 0.00 0.00 174.94 171.99 2i2v s ASP 90 N 1.42 7.07 -0.08 4.36 1.11 0.72 -3.96 116.67 127.31 2i2v s ASP 90 Ca -0.09 1.27 0.04 0.00 0.18 0.00 0.00 52.55 53.96 2i2v s ASP 90 Cb -0.07 -2.41 -0.00 0.00 1.07 0.00 0.00 42.92 41.52 2i2v s ASP 90 CO -0.15 0.06 -0.22 -0.36 1.18 0.00 0.00 175.17 175.68 2i2v s PHE 91 N -0.08 2.28 -0.18 4.23 2.99 -1.05 -0.35 117.98 125.82 2i2v s PHE 91 Ca 0.34 -0.82 -0.01 0.00 0.00 0.00 0.00 56.93 56.44 2i2v s PHE 91 Cb -0.19 -1.53 0.00 0.00 0.00 0.00 0.00 43.02 41.30 2i2v s PHE 91 CO 0.19 -0.31 -0.13 0.08 -0.00 0.00 0.00 175.22 175.05 2i2v s VAL 92 N 0.20 2.72 -0.57 -0.44 1.01 -0.63 -0.40 120.40 122.28 2i2v s VAL 92 Ca -0.12 -0.73 -0.27 0.00 0.00 0.00 0.00 61.98 60.85 2i2v s VAL 92 Cb -0.16 -2.18 -0.10 0.00 0.00 0.00 0.00 36.38 33.94 2i2v s VAL 92 CO 0.06 0.50 2.46 0.54 0.00 0.00 0.00 175.10 178.65 2i2v n ARG 93 N 4.40 0.88 0.00 2.72 1.74 -0.82 -1.03 116.66 124.55 2i2v n ARG 93 Ca -0.19 0.03 0.13 0.00 -0.77 0.00 0.00 57.85 57.05 2i2v n ARG 93 Cb 0.51 -3.02 0.41 0.00 -1.02 0.00 0.00 32.46 29.34 2i2v n ARG 93 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11