#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i2t n PHE 2 N 0.00 -0.14 -3.93 1.12 3.72 -1.26 -4.89 117.46 112.09 2i2t n PHE 2 Ca 0.00 0.05 -0.29 0.00 -0.05 0.00 0.00 57.45 57.16 2i2t n PHE 2 Cb 0.00 -1.98 -0.13 0.00 -0.94 0.00 0.00 39.48 36.43 2i2t n PHE 2 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2i2t s THR 3 N -3.01 2.64 0.17 4.37 -4.23 -1.25 -0.76 115.64 113.57 2i2t s THR 3 Ca 0.01 -3.59 -0.30 0.00 -1.18 0.00 0.00 61.69 56.63 2i2t s THR 3 Cb -0.00 -2.80 -0.08 0.00 1.34 0.00 0.00 72.50 70.95 2i2t s THR 3 CO 0.04 -0.86 1.26 -0.63 -0.54 0.00 0.00 174.62 173.88 2i2t s ILE 4 N -0.62 3.45 -0.35 2.99 1.01 0.11 -4.82 121.20 122.96 2i2t s ILE 4 Ca 0.19 1.18 -0.18 0.00 0.00 0.00 0.00 60.65 61.84 2i2t s ILE 4 Cb -0.20 -3.75 -0.00 0.00 0.01 0.00 0.00 42.46 38.52 2i2t s ILE 4 CO -0.05 0.17 0.50 0.54 0.00 0.00 0.00 174.94 176.10 2i2t s ASN 5 N 0.38 6.30 0.31 3.58 4.22 -1.26 -0.33 114.94 128.14 2i2t s ASN 5 Ca 0.56 -0.08 -0.03 0.00 -2.14 0.00 0.00 52.86 51.17 2i2t s ASN 5 Cb -0.34 -2.26 0.01 0.00 1.28 0.00 0.00 41.25 39.94 2i2t s ASN 5 CO 0.36 -0.48 0.46 0.00 -2.04 0.00 0.00 177.10 175.40 2i2t n ALA 6 N 5.73 -0.45 -3.69 3.54 0.00 -1.21 -3.76 120.51 120.67 2i2t n ALA 6 Ca -0.05 -1.40 -0.09 0.00 0.00 0.00 0.00 53.44 51.91 2i2t n ALA 6 Cb 0.49 1.12 -0.02 0.00 0.00 0.00 0.00 19.45 21.04 2i2t n ALA 6 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2i2t s GLU 7 N -2.63 1.60 0.59 0.00 -1.05 -1.25 -4.10 118.70 111.85 2i2t s GLU 7 Ca 0.24 -0.80 -0.20 0.00 -0.15 0.00 0.00 54.97 54.06 2i2t s GLU 7 Cb -0.01 0.60 -0.03 0.00 -0.44 0.00 0.00 34.13 34.24 2i2t s GLU 7 CO 0.17 -0.72 1.34 0.08 0.95 0.00 0.00 175.26 177.08 2i2t s VAL 8 N -3.86 2.05 -0.24 1.83 1.01 -1.26 -0.99 120.40 118.95 2i2t s VAL 8 Ca 0.07 0.04 -0.16 0.00 0.00 0.00 0.00 61.98 61.93 2i2t s VAL 8 Cb -0.04 -3.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.29 2i2t s VAL 8 CO -0.00 -0.00 0.42 -0.13 0.00 0.00 0.00 175.10 175.38 2i2t s ARG 9 N -3.09 4.09 0.08 2.72 1.81 0.12 -4.71 118.95 119.96 2i2t s ARG 9 Ca 0.76 0.18 -0.13 0.00 -1.72 0.00 0.00 55.73 54.82 2i2t s ARG 9 Cb -0.39 -3.61 -0.23 0.00 -0.45 0.00 0.00 34.95 30.27 2i2t s ARG 9 CO 0.45 -0.20 1.18 -0.22 -0.68 0.00 0.00 175.30 175.83 2i2t h LYS 10 N 7.81 0.64 -6.68 3.54 3.64 -1.93 -3.46 116.57 120.13 2i2t h LYS 10 Ca -0.33 -0.74 -0.67 0.00 -1.27 0.00 0.00 60.65 57.64 2i2t h LYS 10 Cb 1.16 0.22 -0.18 0.00 -0.41 0.00 0.00 32.23 33.02 2i2t h LYS 10 CO 0.69 1.32 -0.78 -1.21 -2.27 0.00 0.00 179.45 177.19 2i2t s GLU 11 N -3.20 1.87 0.17 1.90 2.02 -1.26 -5.14 118.70 115.04 2i2t s GLU 11 Ca -0.09 -1.15 -0.05 0.00 0.02 0.00 0.00 54.97 53.70 2i2t s GLU 11 Cb 0.07 -2.16 -0.02 0.00 0.10 0.00 0.00 34.13 32.12 2i2t s GLU 11 CO 0.92 0.48 0.19 1.14 0.02 0.00 0.00 175.26 178.02 2i2t s GLN 12 N -2.18 1.11 0.00 1.61 1.03 -1.26 -4.82 119.66 115.15 2i2t s GLN 12 Ca 0.19 -1.35 0.00 0.00 0.04 0.00 0.00 55.36 54.24 2i2t s GLN 12 Cb -0.11 0.32 0.00 0.00 0.03 0.00 0.00 33.01 33.25 2i2t s GLN 12 CO 0.11 -0.38 0.00 0.41 -2.54 0.00 0.00 175.29 172.89 2i2t n GLY 13 N -0.19 2.30 0.36 2.60 0.00 -1.26 -4.38 105.19 104.61 2i2t n GLY 13 Ca -0.05 -1.97 0.03 0.00 0.00 0.00 0.00 46.02 44.03 2i2t n GLY 13 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2i2t h LYS 14 N 0.00 -0.01 0.51 1.61 3.64 -2.01 0.28 116.57 120.59 2i2t h LYS 14 Ca 0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 2i2t h LYS 14 Cb 0.00 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 2i2t h LYS 14 CO 0.00 -0.00 -0.36 0.78 -2.27 0.00 0.00 179.45 177.60 2i2t h GLY 15 N -0.01 -1.08 0.49 5.01 0.00 -2.01 -2.56 103.07 102.91 2i2t h GLY 15 Ca 0.42 0.46 0.07 0.00 0.00 0.00 0.00 47.33 48.28 2i2t h GLY 15 CO -0.98 -0.35 0.15 0.00 0.00 0.00 0.00 176.54 175.35 2i2t h ALA 16 N -1.30 0.58 -0.37 3.60 0.00 -1.62 -2.72 119.26 117.42 2i2t h ALA 16 Ca -0.07 0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.00 2i2t h ALA 16 Cb 0.68 0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.45 2i2t h ALA 16 CO 0.04 -0.25 -0.25 0.77 0.00 0.00 0.00 179.25 179.56 2i2t h SER 17 N 0.31 -0.83 -0.78 0.00 0.02 -0.94 -1.41 113.55 109.92 2i2t h SER 17 Ca 0.24 0.16 0.07 0.00 -0.84 0.00 0.00 61.79 61.42 2i2t h SER 17 Cb 0.27 0.41 -0.06 0.00 0.14 0.00 0.00 62.40 63.16 2i2t h SER 17 CO -0.26 -0.27 0.46 0.03 -1.14 0.00 0.00 176.83 175.65 2i2t h ARG 18 N -0.19 0.81 -0.64 3.45 3.08 -1.16 -2.40 114.38 117.33 2i2t h ARG 18 Ca 0.18 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.18 2i2t h ARG 18 Cb 0.48 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.31 2i2t h ARG 18 CO -0.48 0.54 0.42 0.00 -1.07 0.00 0.00 179.97 179.37 2i2t h ARG 19 N 0.83 0.85 0.42 0.04 3.08 -1.03 -2.33 114.38 116.24 2i2t h ARG 19 Ca 0.35 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.32 2i2t h ARG 19 Cb 0.21 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.08 2i2t h ARG 19 CO -0.19 0.57 -0.20 -0.07 -1.07 0.00 0.00 179.97 179.01 2i2t h LEU 20 N 0.87 -0.48 -2.39 3.04 3.38 -0.84 -1.92 115.31 116.97 2i2t h LEU 20 Ca 0.23 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.25 2i2t h LEU 20 Cb -0.09 0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 2i2t h LEU 20 CO -0.05 -0.34 0.14 0.03 0.09 0.00 0.00 178.44 178.31 2i2t h ARG 21 N -0.57 0.00 0.00 1.13 3.08 -0.85 0.32 114.38 117.49 2i2t h ARG 21 Ca -0.06 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 2i2t h ARG 21 Cb 0.44 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.48 2i2t h ARG 21 CO 0.10 0.00 -0.01 0.00 -1.07 0.00 0.00 179.97 178.99 2i2t h ALA 22 N 1.80 1.02 -0.81 0.04 0.00 -0.77 -2.29 119.26 118.25 2i2t h ALA 22 Ca 0.04 -0.01 -0.55 0.00 0.00 0.00 0.00 54.91 54.40 2i2t h ALA 22 Cb 0.33 -0.00 -0.43 0.00 0.00 0.00 0.00 17.79 17.69 2i2t h ALA 22 CO -0.00 0.01 -0.81 0.00 0.00 0.00 0.00 179.25 178.45 2i2t n ALA 23 N -2.10 5.03 0.00 0.00 0.00 0.11 -4.99 120.51 118.57 2i2t n ALA 23 Ca -0.01 -3.83 0.00 0.00 0.00 0.00 0.00 53.44 49.60 2i2t n ALA 23 Cb 0.19 -0.34 0.00 0.00 0.00 0.00 0.00 19.45 19.30 2i2t n ALA 23 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2i2t n ASN 24 N -0.69 0.00 -4.63 0.00 4.13 -0.86 -4.91 115.26 108.29 2i2t n ASN 24 Ca 0.44 0.00 -0.55 0.00 1.68 0.00 0.00 54.58 56.15 2i2t n ASN 24 Cb 0.95 0.00 -0.07 0.00 -1.54 0.00 0.00 39.78 39.12 2i2t n ASN 24 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 2i2t n LYS 25 N 0.00 1.06 -5.15 3.52 5.02 -1.22 -3.63 118.16 117.76 2i2t n LYS 25 Ca 0.00 0.38 -0.32 0.00 -2.02 0.00 0.00 58.31 56.36 2i2t n LYS 25 Cb 0.00 -2.03 -0.15 0.00 -0.02 0.00 0.00 35.03 32.82 2i2t n LYS 25 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 2i2t s PHE 26 N 1.62 2.50 0.97 2.13 -0.12 -0.92 -1.37 117.98 122.79 2i2t s PHE 26 Ca 0.90 -0.52 -0.12 0.00 -0.05 0.00 0.00 56.93 57.15 2i2t s PHE 26 Cb -1.03 -1.60 0.17 0.00 -0.63 0.00 0.00 43.02 39.94 2i2t s PHE 26 CO 0.55 -0.08 1.09 -1.25 -0.05 0.00 0.00 175.22 175.48 2i2t s PRO 27 N -0.36 0.61 0.00 1.99 0.04 -1.26 -2.82 135.00 133.20 2i2t s PRO 27 Ca 0.03 0.98 0.00 0.00 0.04 0.00 0.00 61.00 62.05 2i2t s PRO 27 Cb -0.12 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.70 2i2t s PRO 27 CO 0.02 -2.73 0.00 0.00 0.04 0.00 0.00 177.00 174.33 2i2t n ALA 28 N -4.24 0.00 -2.95 8.56 0.00 -0.58 -4.20 120.51 117.10 2i2t n ALA 28 Ca 0.07 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.41 2i2t n ALA 28 Cb 0.54 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.88 2i2t n ALA 28 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2i2t s ILE 29 N -2.00 0.23 -0.06 0.00 -5.25 -1.25 -0.15 121.20 112.71 2i2t s ILE 29 Ca 0.00 -0.96 0.01 0.00 -0.99 0.00 0.00 60.65 58.71 2i2t s ILE 29 Cb 0.00 -0.36 -0.03 0.00 2.95 0.00 0.00 42.46 45.02 2i2t s ILE 29 CO 0.00 -0.47 -0.06 -0.63 -1.79 0.00 0.00 174.94 171.99 2i2t s ILE 30 N -1.43 3.75 0.11 8.37 1.01 0.49 -2.57 121.20 130.93 2i2t s ILE 30 Ca -0.14 -0.50 -0.12 0.00 0.00 0.00 0.00 60.65 59.89 2i2t s ILE 30 Cb -0.10 -2.55 0.01 0.00 0.01 0.00 0.00 42.46 39.84 2i2t s ILE 30 CO -0.01 0.57 0.28 -0.72 0.00 0.00 0.00 174.94 175.07 2i2t s TYR 31 N -0.84 0.02 0.00 3.97 -0.85 0.52 0.12 117.35 120.29 2i2t s TYR 31 Ca 0.13 -0.41 0.00 0.00 -0.52 0.00 0.00 57.07 56.28 2i2t s TYR 31 Cb -0.11 0.07 0.00 0.00 0.38 0.00 0.00 41.96 42.30 2i2t s TYR 31 CO 0.02 -0.62 0.00 0.41 -1.52 0.00 0.00 175.55 173.84 2i2t n GLY 32 N -0.14 3.01 6.25 5.49 0.00 -1.26 -1.83 105.19 116.70 2i2t n GLY 32 Ca -0.15 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 43.92 2i2t n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2i2t n GLY 33 N -1.35 1.87 0.00 -0.02 0.00 -1.26 -3.80 105.19 100.63 2i2t n GLY 33 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.56 2i2t n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2i2t n LYS 34 N 5.91 0.00 -4.33 1.61 5.02 -1.26 -5.08 118.16 120.04 2i2t n LYS 34 Ca 0.00 -0.09 -0.34 0.00 -2.02 0.00 0.00 58.31 55.86 2i2t n LYS 34 Cb 0.00 -0.46 -0.11 0.00 -0.02 0.00 0.00 35.03 34.44 2i2t n LYS 34 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 2i2t s GLU 35 N 0.00 3.57 0.51 1.97 -1.05 -1.25 -5.09 118.70 117.37 2i2t s GLU 35 Ca 0.00 -0.46 -0.20 0.00 -0.15 0.00 0.00 54.97 54.16 2i2t s GLU 35 Cb 0.00 -2.94 -0.10 0.00 -0.44 0.00 0.00 34.13 30.65 2i2t s GLU 35 CO 0.00 0.35 0.60 0.00 0.95 0.00 0.00 175.26 177.16 2i2t n ALA 36 N 3.21 -1.05 -1.48 -0.84 0.00 -1.26 -4.34 120.51 114.76 2i2t n ALA 36 Ca -0.17 0.06 -0.39 0.00 0.00 0.00 0.00 53.44 52.94 2i2t n ALA 36 Cb 0.53 -1.85 0.03 0.00 0.00 0.00 0.00 19.45 18.15 2i2t n ALA 36 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2i2t n PRO 37 N 0.14 0.59 -3.90 0.00 -0.02 -1.26 -4.92 135.00 125.63 2i2t n PRO 37 Ca 0.11 0.23 -0.35 0.00 -2.02 0.00 0.00 63.50 61.47 2i2t n PRO 37 Cb 0.44 -1.68 -0.14 0.00 -0.02 0.00 0.00 33.50 32.10 2i2t n PRO 37 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2i2t s LEU 38 N 0.87 3.52 -0.58 2.45 2.96 0.33 -4.90 118.68 123.33 2i2t s LEU 38 Ca 0.67 -0.95 -0.26 0.00 -0.22 0.00 0.00 54.13 53.37 2i2t s LEU 38 Cb -0.49 -1.72 0.04 0.00 0.50 0.00 0.00 46.19 44.51 2i2t s LEU 38 CO 0.55 -0.18 1.09 0.00 -1.32 0.00 0.00 176.35 176.50 2i2t s ALA 39 N 1.34 3.05 0.43 5.97 0.00 -1.26 -0.38 121.76 130.91 2i2t s ALA 39 Ca -0.01 -1.05 0.06 0.00 0.00 0.00 0.00 51.96 50.97 2i2t s ALA 39 Cb -0.18 -3.93 -0.06 0.00 0.00 0.00 0.00 23.12 18.96 2i2t s ALA 39 CO -0.02 -2.60 0.08 0.96 0.00 0.00 0.00 175.76 174.19 2i2t s ILE 40 N 4.59 2.01 -0.25 0.00 -0.00 0.78 0.13 121.20 128.46 2i2t s ILE 40 Ca 0.37 -1.87 -0.04 0.00 -0.00 0.00 0.00 60.65 59.10 2i2t s ILE 40 Cb -0.10 -2.89 0.09 0.00 -0.00 0.00 0.00 42.46 39.56 2i2t s ILE 40 CO 0.22 0.00 0.12 -1.83 -0.00 0.00 0.00 174.94 173.45 2i2t s GLU 41 N -3.82 0.16 0.72 0.37 -1.05 -0.16 -1.53 118.70 113.39 2i2t s GLU 41 Ca 0.34 -0.39 -0.07 0.00 -0.15 0.00 0.00 54.97 54.70 2i2t s GLU 41 Cb 0.07 -1.38 0.08 0.00 -0.44 0.00 0.00 34.13 32.45 2i2t s GLU 41 CO 0.18 -0.91 1.03 -0.48 0.95 0.00 0.00 175.26 176.04 2i2t s LEU 42 N 2.11 2.83 -0.21 1.83 2.34 -1.13 -3.78 118.68 122.67 2i2t s LEU 42 Ca 0.07 0.35 -0.20 0.00 0.06 0.00 0.00 54.13 54.41 2i2t s LEU 42 Cb -0.16 -2.92 -0.03 0.00 -0.56 0.00 0.00 46.19 42.52 2i2t s LEU 42 CO -0.28 -1.71 0.59 -0.62 -1.06 0.00 0.00 176.35 173.27 2i2t s ASP 43 N -4.57 6.62 0.00 1.48 -1.08 -1.25 -2.17 116.67 115.70 2i2t s ASP 43 Ca 0.62 0.75 0.00 0.00 -0.52 0.00 0.00 52.55 53.40 2i2t s ASP 43 Cb -0.10 -2.33 0.00 0.00 -1.46 0.00 0.00 42.92 39.04 2i2t s ASP 43 CO 0.45 -0.27 0.34 1.57 0.52 0.00 0.00 175.17 177.79 2i2t n HIS 44 N 5.12 0.00 -0.15 -5.34 -0.00 -1.24 -1.71 115.22 111.90 2i2t n HIS 44 Ca -0.02 0.00 0.09 0.00 -0.00 0.00 0.00 57.72 57.79 2i2t n HIS 44 Cb 0.50 0.00 0.17 0.00 -0.00 0.00 0.00 29.99 30.66 2i2t n HIS 44 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 2i2t n ASP 45 N -0.52 0.01 0.03 0.26 8.00 -1.26 -0.46 116.55 122.60 2i2t n ASP 45 Ca 0.00 0.77 -0.01 0.00 0.71 0.00 0.00 54.79 56.26 2i2t n ASP 45 Cb 0.00 -0.31 -0.01 0.00 -0.02 0.00 0.00 41.12 40.79 2i2t n ASP 45 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 2i2t h LYS 46 N 0.00 -0.07 -0.65 -1.24 1.63 -1.95 -3.10 116.57 111.19 2i2t h LYS 46 Ca 0.31 0.00 0.18 0.00 -0.85 0.00 0.00 60.65 60.29 2i2t h LYS 46 Cb 0.70 0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 32.31 2i2t h LYS 46 CO -0.41 -0.05 0.46 0.28 -3.45 0.00 0.00 179.45 176.29 2i2t h VAL 47 N -0.09 0.71 -0.03 2.00 2.07 -0.09 -2.37 116.25 118.44 2i2t h VAL 47 Ca -0.01 -0.03 0.02 0.00 0.82 0.00 0.00 66.70 67.51 2i2t h VAL 47 Cb 0.06 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 2i2t h VAL 47 CO 0.01 0.01 -0.08 -0.03 0.02 0.00 0.00 177.57 177.50 2i2t h MET 48 N 0.08 -0.12 0.00 1.57 1.85 -0.78 -1.48 114.93 116.05 2i2t h MET 48 Ca 0.31 0.01 -0.05 0.00 -0.61 0.00 0.00 59.70 59.36 2i2t h MET 48 Cb 1.13 0.03 -0.01 0.00 0.43 0.00 0.00 31.60 33.18 2i2t h MET 48 CO -0.03 -0.08 -0.22 -0.91 -0.40 0.00 0.00 176.91 175.27 2i2t h ASN 49 N -0.13 0.00 0.03 1.39 2.35 -1.35 -3.08 115.58 114.79 2i2t h ASN 49 Ca 0.04 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.79 2i2t h ASN 49 Cb 0.19 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.56 2i2t h ASN 49 CO -0.11 0.22 -0.01 0.24 -1.65 0.00 0.00 177.43 176.12 2i2t h MET 50 N 0.00 -0.04 0.00 0.81 2.86 -1.34 -3.00 114.93 114.23 2i2t h MET 50 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2i2t h MET 50 Cb 0.51 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.18 2i2t h MET 50 CO 0.03 0.51 0.08 -0.56 1.06 0.00 0.00 176.91 178.02 2i2t h GLN 51 N -0.61 0.00 -0.60 1.72 -0.00 -1.21 -1.28 115.11 113.13 2i2t h GLN 51 Ca -0.00 0.00 0.05 0.00 -0.00 0.00 0.00 58.65 58.70 2i2t h GLN 51 Cb 0.56 0.00 -0.04 0.00 -0.00 0.00 0.00 27.48 28.00 2i2t h GLN 51 CO 0.01 0.00 0.40 0.00 -0.00 0.00 0.00 178.83 179.24 2i2t h ALA 52 N 1.82 1.78 -2.90 0.06 0.00 -1.44 -3.40 119.26 115.17 2i2t h ALA 52 Ca 0.00 -0.02 -0.60 0.00 0.00 0.00 0.00 54.91 54.29 2i2t h ALA 52 Cb 0.15 -0.16 -0.08 0.00 0.00 0.00 0.00 17.79 17.70 2i2t h ALA 52 CO 0.00 0.13 -0.28 0.21 0.00 0.00 0.00 179.25 179.31 2i2t s LYS 53 N -5.56 4.08 0.37 0.00 2.36 -0.48 -4.99 119.74 115.52 2i2t s LYS 53 Ca -0.09 0.22 0.12 0.00 -2.55 0.00 0.00 55.97 53.66 2i2t s LYS 53 Cb 0.19 -3.34 0.90 0.00 -1.05 0.00 0.00 37.83 34.53 2i2t s LYS 53 CO 0.75 0.42 1.84 0.00 1.55 0.00 0.00 175.35 179.91 2i2t h ALA 54 N 5.92 1.94 -1.18 3.13 0.00 -1.86 -2.15 119.26 125.08 2i2t h ALA 54 Ca -0.46 0.03 0.40 0.00 0.00 0.00 0.00 54.91 54.88 2i2t h ALA 54 Cb 1.19 -0.08 -0.14 0.00 0.00 0.00 0.00 17.79 18.76 2i2t h ALA 54 CO 0.70 -0.23 0.72 0.93 0.00 0.00 0.00 179.25 181.36 2i2t h GLU 55 N 0.60 0.13 -0.45 0.00 5.08 -1.93 0.18 114.58 118.20 2i2t h GLU 55 Ca 0.49 -0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.93 2i2t h GLU 55 Cb 0.95 -0.03 -0.09 0.00 0.50 0.00 0.00 28.75 30.08 2i2t h GLU 55 CO -0.24 0.09 -0.14 0.35 -1.00 0.00 0.00 179.01 178.07 2i2t h PHE 56 N 0.14 -0.33 0.00 4.33 3.57 -1.64 0.25 116.94 123.25 2i2t h PHE 56 Ca 0.80 0.04 0.00 0.00 3.53 0.00 0.00 57.97 62.34 2i2t h PHE 56 Cb 2.26 0.21 0.00 0.00 2.79 0.00 0.00 35.95 41.22 2i2t h PHE 56 CO -0.01 -0.23 0.00 0.66 -2.23 0.00 0.00 178.31 176.51 2i2t n TYR 57 N -5.35 0.00 0.00 0.41 0.53 0.63 -4.45 117.16 108.93 2i2t n TYR 57 Ca 0.03 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.91 2i2t n TYR 57 Cb 0.26 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.57 2i2t n TYR 57 CO 0.00 0.00 0.00 0.43 -1.02 0.00 0.00 176.86 176.27 2i2t n SER 58 N -0.79 0.00 -4.30 7.72 7.64 0.61 -4.83 113.62 119.67 2i2t n SER 58 Ca 0.14 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.68 2i2t n SER 58 Cb 0.06 0.00 0.13 0.00 -1.01 0.00 0.00 64.21 63.39 2i2t n SER 58 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2i2t n GLU 59 N -0.85 -0.80 -2.57 1.43 0.00 0.29 -4.92 120.64 113.23 2i2t n GLU 59 Ca 0.00 -0.21 -0.41 0.00 0.00 0.00 0.00 57.16 56.54 2i2t n GLU 59 Cb 0.00 -1.67 -0.04 0.00 0.00 0.00 0.00 31.44 29.73 2i2t n GLU 59 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 2i2t s VAL 60 N -2.27 3.93 0.24 6.31 1.01 -1.26 -4.83 120.40 123.52 2i2t s VAL 60 Ca 0.54 1.71 0.06 0.00 0.00 0.00 0.00 61.98 64.29 2i2t s VAL 60 Cb -0.15 -4.09 -0.03 0.00 0.00 0.00 0.00 36.38 32.10 2i2t s VAL 60 CO 0.68 0.32 0.25 -0.76 0.00 0.00 0.00 175.10 175.59 2i2t s LEU 61 N -0.55 4.02 -0.23 3.92 1.43 -0.68 -4.85 118.68 121.74 2i2t s LEU 61 Ca 0.47 -0.11 -0.04 0.00 -1.03 0.00 0.00 54.13 53.42 2i2t s LEU 61 Cb -0.28 -2.56 0.09 0.00 0.03 0.00 0.00 46.19 43.46 2i2t s LEU 61 CO 0.35 -0.04 0.14 0.42 0.23 0.00 0.00 176.35 177.45 2i2t s THR 62 N -2.03 -0.13 -0.50 5.49 -4.23 0.06 -0.79 115.64 113.49 2i2t s THR 62 Ca 0.33 -0.43 -0.21 0.00 -1.18 0.00 0.00 61.69 60.20 2i2t s THR 62 Cb -0.09 -0.78 0.04 0.00 1.34 0.00 0.00 72.50 73.01 2i2t s THR 62 CO 0.26 -0.47 0.74 -0.63 -0.54 0.00 0.00 174.62 173.99 2i2t s ILE 63 N 2.16 4.69 -0.62 2.99 1.09 -1.26 0.04 121.20 130.30 2i2t s ILE 63 Ca 0.06 -0.06 -0.27 0.00 -1.10 0.00 0.00 60.65 59.28 2i2t s ILE 63 Cb -0.16 -4.36 0.01 0.00 -1.06 0.00 0.00 42.46 36.89 2i2t s ILE 63 CO -0.23 -0.86 1.47 -0.69 -0.10 0.00 0.00 174.94 174.53 2i2t s VAL 64 N 3.14 3.68 -0.12 2.92 1.01 0.55 -4.59 120.40 127.00 2i2t s VAL 64 Ca 0.23 0.50 0.03 0.00 0.00 0.00 0.00 61.98 62.74 2i2t s VAL 64 Cb -0.15 -4.47 0.00 0.00 0.00 0.00 0.00 36.38 31.76 2i2t s VAL 64 CO 0.16 -1.31 -0.23 0.68 0.00 0.00 0.00 175.10 174.41 2i2t s VAL 65 N 6.56 2.11 0.00 2.92 -7.23 -1.26 -3.33 120.40 120.18 2i2t s VAL 65 Ca 0.51 -0.99 0.00 0.00 -1.81 0.00 0.00 61.98 59.69 2i2t s VAL 65 Cb -0.10 -1.82 0.00 0.00 0.56 0.00 0.00 36.38 35.01 2i2t s VAL 65 CO 0.21 0.55 0.00 -0.90 -0.31 0.00 0.00 175.10 174.66 2i2t n ASP 66 N 3.73 0.00 0.00 4.85 5.75 -1.26 -1.22 116.55 128.39 2i2t n ASP 66 Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.59 2i2t n ASP 66 Cb 0.52 -2.01 0.00 0.00 -1.03 0.00 0.00 41.12 38.61 2i2t n ASP 66 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2i2t n GLY 67 N -2.00 1.85 3.84 6.12 0.00 -1.26 -5.11 105.19 108.63 2i2t n GLY 67 Ca 0.00 -0.01 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 2i2t n GLY 67 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2i2t s LYS 68 N -0.90 2.23 0.52 1.61 -2.85 -0.36 -5.14 119.74 114.85 2i2t s LYS 68 Ca 0.00 -2.13 -0.02 0.00 -1.00 0.00 0.00 55.97 52.82 2i2t s LYS 68 Cb 0.00 -1.89 0.01 0.00 -2.06 0.00 0.00 37.83 33.88 2i2t s LYS 68 CO 0.00 -0.48 0.77 -2.00 0.10 0.00 0.00 175.35 173.74 2i2t s GLU 69 N -4.10 2.93 0.11 1.78 -6.30 -1.26 -4.18 118.70 107.68 2i2t s GLU 69 Ca 0.25 -0.35 0.00 0.00 -2.50 0.00 0.00 54.97 52.37 2i2t s GLU 69 Cb -0.00 -2.44 0.00 0.00 0.00 0.00 0.00 34.13 31.68 2i2t s GLU 69 CO 0.15 -0.49 0.00 0.44 0.02 0.00 0.00 175.26 175.38 2i2t n ILE 70 N -2.30 0.00 -2.85 -3.70 -0.00 -1.26 -4.93 119.36 104.32 2i2t n ILE 70 Ca 0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 62.75 62.77 2i2t n ILE 70 Cb 0.58 -0.06 -0.01 0.00 -0.00 0.00 0.00 39.64 40.15 2i2t n ILE 70 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 2i2t n LYS 71 N -2.77 -2.70 -4.59 6.28 5.02 -1.24 -4.65 118.16 113.51 2i2t n LYS 71 Ca 0.00 2.27 -0.28 0.00 -2.02 0.00 0.00 58.31 58.28 2i2t n LYS 71 Cb 0.00 -3.81 -0.08 0.00 -0.02 0.00 0.00 35.03 31.12 2i2t n LYS 71 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2i2t s VAL 72 N -1.15 0.64 0.09 -0.18 -7.23 0.03 -1.72 120.40 110.87 2i2t s VAL 72 Ca -0.05 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.19 2i2t s VAL 72 Cb 0.00 -2.22 -0.03 0.00 0.56 0.00 0.00 36.38 34.69 2i2t s VAL 72 CO 0.52 0.00 -0.19 -0.54 -0.31 0.00 0.00 175.10 174.58 2i2t s LYS 73 N -3.72 1.05 -0.55 4.82 -0.14 -0.29 -1.68 119.74 119.23 2i2t s LYS 73 Ca 0.17 -1.08 -0.28 0.00 -1.36 0.00 0.00 55.97 53.41 2i2t s LYS 73 Cb 0.01 -1.23 0.03 0.00 -1.68 0.00 0.00 37.83 34.96 2i2t s LYS 73 CO 0.11 0.29 1.17 0.00 -0.76 0.00 0.00 175.35 176.16 2i2t s ALA 74 N -1.16 3.04 0.00 5.17 0.00 -1.26 -1.65 121.76 125.90 2i2t s ALA 74 Ca 0.04 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.25 2i2t s ALA 74 Cb -0.10 -3.99 0.00 0.00 0.00 0.00 0.00 23.12 19.03 2i2t s ALA 74 CO 0.03 -2.55 0.00 1.04 0.00 0.00 0.00 175.76 174.29 2i2t n GLN 75 N 8.25 0.00 -3.62 0.00 1.13 0.56 -4.97 117.38 118.73 2i2t n GLN 75 Ca 0.09 0.00 -0.20 0.00 -1.94 0.00 0.00 57.00 54.95 2i2t n GLN 75 Cb 0.49 -0.11 -0.01 0.00 0.11 0.00 0.00 30.24 30.72 2i2t n GLN 75 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2i2t s ASP 76 N -1.00 6.12 -0.23 1.08 1.01 -1.23 -4.87 116.67 117.54 2i2t s ASP 76 Ca 0.00 -0.00 -0.03 0.00 0.71 0.00 0.00 52.55 53.23 2i2t s ASP 76 Cb 0.00 -1.56 0.12 0.00 1.01 0.00 0.00 42.92 42.50 2i2t s ASP 76 CO 0.00 -0.30 0.35 0.54 0.21 0.00 0.00 175.17 175.97 2i2t s VAL 77 N -2.14 -0.55 -0.78 -1.27 0.11 -1.26 -0.07 120.40 114.43 2i2t s VAL 77 Ca 0.41 -0.06 -0.15 0.00 -2.93 0.00 0.00 61.98 59.25 2i2t s VAL 77 Cb -0.09 -0.78 0.19 0.00 -1.53 0.00 0.00 36.38 34.17 2i2t s VAL 77 CO 0.31 -0.12 0.76 -1.10 -3.33 0.00 0.00 175.10 171.62 2i2t s GLN 78 N 2.51 3.49 0.76 1.54 -0.21 0.21 -4.97 119.66 122.99 2i2t s GLN 78 Ca 0.11 -2.24 -0.10 0.00 0.02 0.00 0.00 55.36 53.15 2i2t s GLN 78 Cb -0.15 -4.45 0.07 0.00 1.00 0.00 0.00 33.01 29.48 2i2t s GLN 78 CO -0.15 -1.35 1.11 -0.98 -2.12 0.00 0.00 175.29 171.80 2i2t s ARG 79 N 0.71 2.10 0.45 2.91 1.70 -1.26 0.30 118.95 125.85 2i2t s ARG 79 Ca 0.17 -0.01 -0.24 0.00 -0.47 0.00 0.00 55.73 55.18 2i2t s ARG 79 Cb -0.13 -2.04 -0.07 0.00 -0.57 0.00 0.00 34.95 32.14 2i2t s ARG 79 CO -0.07 -1.43 1.21 -1.58 -1.08 0.00 0.00 175.30 172.35 2i2t s HIS 80 N -3.44 2.84 0.39 5.89 5.65 0.12 -4.68 115.29 122.07 2i2t s HIS 80 Ca 0.61 1.50 0.18 0.00 0.25 0.00 0.00 55.06 57.60 2i2t s HIS 80 Cb -0.11 -3.47 1.08 0.00 -1.18 0.00 0.00 32.58 28.90 2i2t s HIS 80 CO 0.47 -1.71 1.78 -1.35 -0.65 0.00 0.00 174.74 173.28 2i2t h PRO 81 N 2.20 0.40 0.00 2.88 0.11 -1.96 -3.36 132.00 132.27 2i2t h PRO 81 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2i2t h PRO 81 Cb 1.25 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2i2t h PRO 81 CO 0.61 0.27 0.00 2.48 -0.21 0.00 0.00 178.00 181.14 2i2t n TYR 82 N -4.63 0.00 -3.07 0.65 0.18 -1.26 -5.11 117.16 103.92 2i2t n TYR 82 Ca 0.25 0.00 -0.39 0.00 1.88 0.00 0.00 57.90 59.64 2i2t n TYR 82 Cb 0.85 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.75 2i2t n TYR 82 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 2i2t s LYS 83 N 0.00 4.44 0.00 -3.48 1.02 -1.26 -4.93 119.74 115.53 2i2t s LYS 83 Ca 0.00 0.99 -0.28 0.00 0.02 0.00 0.00 55.97 56.70 2i2t s LYS 83 Cb 0.00 -3.31 -0.34 0.00 -0.52 0.00 0.00 37.83 33.67 2i2t s LYS 83 CO 0.00 0.45 1.52 -2.30 -0.92 0.00 0.00 175.35 174.10 2i2t n PRO 84 N 2.21 0.00 -3.67 -1.68 -0.02 -1.26 -4.21 135.00 126.37 2i2t n PRO 84 Ca -0.06 -0.94 -0.04 0.00 -2.02 0.00 0.00 63.50 60.45 2i2t n PRO 84 Cb 0.50 -2.43 -0.01 0.00 -0.02 0.00 0.00 33.50 31.54 2i2t n PRO 84 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 2i2t s LYS 85 N 6.75 0.95 0.43 -0.52 -2.85 -1.26 -5.07 119.74 118.17 2i2t s LYS 85 Ca 0.62 -0.48 0.07 0.00 -1.00 0.00 0.00 55.97 55.18 2i2t s LYS 85 Cb 0.13 0.35 -0.02 0.00 -2.06 0.00 0.00 37.83 36.23 2i2t s LYS 85 CO 0.31 -0.43 0.32 -0.48 0.10 0.00 0.00 175.35 175.17 2i2t s LEU 86 N -2.80 3.24 0.00 2.77 0.05 -1.26 0.14 118.68 120.81 2i2t s LEU 86 Ca 0.11 -0.90 0.00 0.00 0.05 0.00 0.00 54.13 53.38 2i2t s LEU 86 Cb -0.00 -1.77 0.00 0.00 -2.05 0.00 0.00 46.19 42.36 2i2t s LEU 86 CO -0.02 -0.67 0.00 0.00 -0.55 0.00 0.00 176.35 175.12 2i2t n GLN 87 N -1.47 2.47 -3.59 1.48 6.02 0.15 -4.67 117.38 117.76 2i2t n GLN 87 Ca 0.02 0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 56.94 2i2t n GLN 87 Cb 0.63 -0.26 -0.04 0.00 1.02 0.00 0.00 30.24 31.59 2i2t n GLN 87 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 2i2t s HIS 88 N -0.29 -0.22 -0.21 1.08 5.04 -0.91 -4.19 115.29 115.59 2i2t s HIS 88 Ca 0.00 0.31 -0.13 0.00 -1.54 0.00 0.00 55.06 53.70 2i2t s HIS 88 Cb 0.00 0.49 0.06 0.00 0.04 0.00 0.00 32.58 33.17 2i2t s HIS 88 CO 0.00 -0.25 0.52 0.96 -2.34 0.00 0.00 174.74 173.63 2i2t s ILE 89 N -1.60 -0.01 0.01 0.89 -5.25 -1.26 0.66 121.20 114.63 2i2t s ILE 89 Ca 0.04 0.05 -0.22 0.00 -0.99 0.00 0.00 60.65 59.53 2i2t s ILE 89 Cb -0.01 -0.76 -0.05 0.00 2.95 0.00 0.00 42.46 44.59 2i2t s ILE 89 CO -0.03 0.02 0.65 -1.81 -1.79 0.00 0.00 174.94 171.98 2i2t s ASP 90 N 1.28 7.05 -0.08 4.36 1.11 0.90 -3.96 116.67 127.32 2i2t s ASP 90 Ca -0.08 1.25 0.04 0.00 0.18 0.00 0.00 52.55 53.94 2i2t s ASP 90 Cb -0.06 -2.40 -0.00 0.00 1.07 0.00 0.00 42.92 41.53 2i2t s ASP 90 CO -0.13 0.06 -0.22 -0.36 1.18 0.00 0.00 175.17 175.71 2i2t s PHE 91 N -0.09 2.25 -0.18 4.23 2.99 -1.06 -0.32 117.98 125.79 2i2t s PHE 91 Ca 0.34 -0.82 -0.01 0.00 0.00 0.00 0.00 56.93 56.44 2i2t s PHE 91 Cb -0.19 -1.51 0.00 0.00 0.00 0.00 0.00 43.02 41.32 2i2t s PHE 91 CO 0.19 -0.32 -0.13 0.08 -0.00 0.00 0.00 175.22 175.04 2i2t s VAL 92 N 0.23 2.71 -0.59 -0.44 1.01 -0.66 -0.35 120.40 122.31 2i2t s VAL 92 Ca -0.13 -0.73 -0.28 0.00 0.00 0.00 0.00 61.98 60.85 2i2t s VAL 92 Cb -0.16 -2.18 -0.11 0.00 0.00 0.00 0.00 36.38 33.93 2i2t s VAL 92 CO 0.06 0.49 2.47 0.54 0.00 0.00 0.00 175.10 178.66 2i2t n ARG 93 N 4.48 0.83 0.00 2.72 1.74 -0.76 -1.14 116.66 124.53 2i2t n ARG 93 Ca -0.19 0.03 0.14 0.00 -0.77 0.00 0.00 57.85 57.05 2i2t n ARG 93 Cb 0.51 -2.92 0.44 0.00 -1.02 0.00 0.00 32.46 29.47 2i2t n ARG 93 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11