#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k13 s GLU 2 N 0.00 0.35 -0.11 3.49 2.12 -1.26 -5.14 118.70 118.14 2k13 s GLU 2 Ca 0.00 0.35 0.00 0.00 0.36 0.00 0.00 54.97 55.68 2k13 s GLU 2 Cb 0.00 0.16 -0.02 0.00 0.26 0.00 0.00 34.13 34.53 2k13 s GLU 2 CO 0.00 -0.66 -0.12 1.03 -0.54 0.00 0.00 175.26 174.97 2k13 s ARG 3 N 2.89 3.22 0.17 4.30 0.52 -1.26 -4.97 118.95 123.82 2k13 s ARG 3 Ca 0.19 -0.65 0.07 0.00 -0.52 0.00 0.00 55.73 54.81 2k13 s ARG 3 Cb -0.06 -2.62 -0.04 0.00 0.52 0.00 0.00 34.95 32.75 2k13 s ARG 3 CO -0.25 0.32 -0.15 -1.21 0.02 0.00 0.00 175.30 174.04 2k13 s GLU 4 N 0.07 1.22 1.01 3.54 2.02 -1.26 -4.76 118.70 120.55 2k13 s GLU 4 Ca -0.04 -1.47 -0.17 0.00 0.02 0.00 0.00 54.97 53.31 2k13 s GLU 4 Cb -0.14 -1.05 0.24 0.00 0.10 0.00 0.00 34.13 33.28 2k13 s GLU 4 CO 0.04 0.18 1.14 -3.47 0.02 0.00 0.00 175.26 173.18 2k13 n ASP 5 N -0.04 -0.82 -4.21 -0.19 -0.08 -1.26 -3.89 116.55 106.06 2k13 n ASP 5 Ca -0.11 -1.31 -0.41 0.00 -1.51 0.00 0.00 54.79 51.46 2k13 n ASP 5 Cb 0.59 -0.94 -0.08 0.00 2.34 0.00 0.00 41.12 43.03 2k13 n ASP 5 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2k13 s TRP 7 N 1.11 3.03 -0.14 0.00 0.51 0.17 -2.89 118.94 120.73 2k13 s TRP 7 Ca 0.08 -0.26 -0.06 0.00 -2.12 0.00 0.00 56.10 53.74 2k13 s TRP 7 Cb -0.24 -1.94 -0.04 0.00 -0.81 0.00 0.00 33.47 30.44 2k13 s TRP 7 CO -0.02 0.00 0.07 -0.08 -0.51 0.00 0.00 176.95 176.42 2k13 s THR 8 N 0.25 4.89 -0.08 2.01 -1.32 0.79 -2.27 115.64 119.90 2k13 s THR 8 Ca -0.03 -0.01 -0.28 0.00 -1.21 0.00 0.00 61.69 60.16 2k13 s THR 8 Cb -0.14 -3.14 -0.02 0.00 -1.51 0.00 0.00 72.50 67.69 2k13 s THR 8 CO 0.03 0.55 0.92 0.12 -2.21 0.00 0.00 174.62 174.02 2k13 s PHE 9 N -0.38 3.54 -0.12 9.09 5.36 -1.26 -1.60 117.98 132.62 2k13 s PHE 9 Ca 0.09 1.50 -0.10 0.00 -0.96 0.00 0.00 56.93 57.46 2k13 s PHE 9 Cb -0.12 -3.07 -0.03 0.00 -0.34 0.00 0.00 43.02 39.45 2k13 s PHE 9 CO 0.02 -0.12 -0.20 0.98 -1.46 0.00 0.00 175.22 174.43 2k13 n TYR 10 N 4.56 0.26 -3.61 10.12 9.36 -1.14 -5.03 117.16 131.69 2k13 n TYR 10 Ca 0.06 0.11 -0.01 0.00 3.32 0.00 0.00 57.90 61.38 2k13 n TYR 10 Cb 0.50 -0.46 -0.01 0.00 -0.63 0.00 0.00 39.34 38.73 2k13 n TYR 10 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2k13 s ALA 11 N -2.89 -2.26 -0.27 2.98 0.00 -1.25 -5.08 121.76 112.99 2k13 s ALA 11 Ca -0.17 1.42 -0.28 0.00 0.00 0.00 0.00 51.96 52.94 2k13 s ALA 11 Cb 0.02 -0.07 0.01 0.00 0.00 0.00 0.00 23.12 23.09 2k13 s ALA 11 CO 0.25 -0.76 1.00 -0.80 0.00 0.00 0.00 175.76 175.44 2k13 s ASN 12 N -2.44 6.95 0.20 0.00 -0.87 -1.26 -2.58 114.94 114.93 2k13 s ASN 12 Ca 0.12 1.13 -0.17 0.00 -1.57 0.00 0.00 52.86 52.37 2k13 s ASN 12 Cb 0.02 -2.51 0.03 0.00 -0.02 0.00 0.00 41.25 38.77 2k13 s ASN 12 CO -0.04 -0.72 0.52 0.00 -2.57 0.00 0.00 177.10 174.29 2k13 s ARG 13 N 3.29 1.38 -0.27 -0.60 1.70 -1.26 -4.64 118.95 118.55 2k13 s ARG 13 Ca 0.42 -0.87 -0.23 0.00 -0.47 0.00 0.00 55.73 54.58 2k13 s ARG 13 Cb -0.14 0.52 0.08 0.00 -0.57 0.00 0.00 34.95 34.84 2k13 s ARG 13 CO 0.10 -0.58 0.73 0.21 -1.08 0.00 0.00 175.30 174.68 2k13 s LYS 14 N -3.87 0.79 -1.34 3.89 2.20 0.38 -4.50 119.74 117.28 2k13 s LYS 14 Ca 0.09 1.02 -0.15 0.00 -0.36 0.00 0.00 55.97 56.58 2k13 s LYS 14 Cb -0.01 0.34 0.09 0.00 -1.51 0.00 0.00 37.83 36.74 2k13 s LYS 14 CO -0.03 -0.11 1.90 0.98 -0.36 0.00 0.00 175.35 177.73 2k13 n TYR 15 N 3.01 4.03 0.00 4.03 9.36 -1.26 -3.02 117.16 133.32 2k13 n TYR 15 Ca -0.15 -2.96 0.00 0.00 3.32 0.00 0.00 57.90 58.11 2k13 n TYR 15 Cb 0.56 -2.44 0.00 0.00 -0.63 0.00 0.00 39.34 36.83 2k13 n TYR 15 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 2k13 n THR 16 N 5.20 0.00 -3.69 2.97 -2.24 -1.26 -4.73 114.28 110.53 2k13 n THR 16 Ca 0.47 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 62.15 2k13 n THR 16 Cb 0.41 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.61 2k13 n THR 16 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2k13 s ASP 17 N 0.00 -0.32 -0.16 3.42 2.15 -1.26 -5.03 116.67 115.47 2k13 s ASP 17 Ca 0.00 -0.40 0.00 0.00 0.43 0.00 0.00 52.55 52.58 2k13 s ASP 17 Cb 0.00 0.60 0.17 0.00 -0.30 0.00 0.00 42.92 43.39 2k13 s ASP 17 CO 0.00 -1.07 1.59 0.49 -0.17 0.00 0.00 175.17 176.01 2k13 n PHE 18 N -0.36 0.92 0.28 -5.34 3.72 -1.26 -4.43 117.46 110.99 2k13 n PHE 18 Ca -0.11 -1.20 0.12 0.00 -0.05 0.00 0.00 57.45 56.22 2k13 n PHE 18 Cb 0.63 -0.60 0.80 0.00 -0.94 0.00 0.00 39.48 39.37 2k13 n PHE 18 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 2k13 h ASP 19 N 0.72 0.00 0.14 4.37 1.82 -1.96 -1.43 116.42 120.08 2k13 h ASP 19 Ca 0.18 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.82 2k13 h ASP 19 Cb 1.29 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.30 2k13 h ASP 19 CO 0.39 0.02 0.00 0.29 -1.61 0.00 0.00 179.24 178.33 2k13 n LYS 20 N -4.06 0.17 -1.68 0.28 4.76 -1.26 -4.89 118.16 111.47 2k13 n LYS 20 Ca -0.03 0.16 -0.00 0.00 -2.87 0.00 0.00 58.31 55.57 2k13 n LYS 20 Cb 0.10 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.79 2k13 n LYS 20 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 2k13 n SER 21 N -1.23 -2.88 -4.23 4.39 7.64 -0.54 -4.48 113.62 112.29 2k13 n SER 21 Ca 0.05 0.20 -0.26 0.00 1.01 0.00 0.00 58.87 59.87 2k13 n SER 21 Cb 0.07 -1.63 -0.15 0.00 -1.01 0.00 0.00 64.21 61.49 2k13 n SER 21 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2k13 s PHE 22 N -0.32 1.79 -0.02 1.43 0.08 -1.26 -2.58 117.98 117.11 2k13 s PHE 22 Ca 0.00 -0.36 0.02 0.00 0.12 0.00 0.00 56.93 56.71 2k13 s PHE 22 Cb -0.00 -1.10 -0.03 0.00 -0.57 0.00 0.00 43.02 41.31 2k13 s PHE 22 CO 0.11 0.04 -0.04 0.15 -0.10 0.00 0.00 175.22 175.38 2k13 s LYS 23 N -0.86 2.70 -0.06 0.44 3.01 -0.80 -4.83 119.74 119.35 2k13 s LYS 23 Ca 0.07 -0.63 0.00 0.00 -1.01 0.00 0.00 55.97 54.41 2k13 s LYS 23 Cb -0.08 -2.60 0.02 0.00 -1.01 0.00 0.00 37.83 34.16 2k13 s LYS 23 CO 0.01 0.63 -0.04 0.21 0.51 0.00 0.00 175.35 176.67 2k13 s LYS 24 N -1.33 0.85 -0.17 1.68 2.36 -1.26 -1.13 119.74 120.73 2k13 s LYS 24 Ca 0.17 -0.06 -0.09 0.00 -2.55 0.00 0.00 55.97 53.43 2k13 s LYS 24 Cb -0.11 -0.96 0.06 0.00 -1.05 0.00 0.00 37.83 35.77 2k13 s LYS 24 CO 0.07 -0.16 0.41 -1.12 1.55 0.00 0.00 175.35 176.11 2k13 s SER 25 N 1.29 -0.52 -0.57 1.43 0.01 -1.25 -5.05 113.70 109.04 2k13 s SER 25 Ca -0.05 0.90 -0.18 0.00 1.31 0.00 0.00 55.95 57.93 2k13 s SER 25 Cb -0.14 0.78 0.10 0.00 0.21 0.00 0.00 66.02 66.98 2k13 s SER 25 CO -0.02 -0.19 0.65 -0.44 0.41 0.00 0.00 173.24 173.65 2k13 s SER 26 N 1.37 6.19 -0.39 2.44 0.01 -1.26 -4.67 113.70 117.39 2k13 s SER 26 Ca -0.09 -1.47 0.01 0.00 1.31 0.00 0.00 55.95 55.71 2k13 s SER 26 Cb -0.08 -2.28 0.12 0.00 0.21 0.00 0.00 66.02 63.99 2k13 s SER 26 CO -0.13 -1.04 0.18 -1.81 0.41 0.00 0.00 173.24 170.86 2k13 s ASP 27 N 3.53 3.84 0.19 2.44 1.01 -1.26 -5.00 116.67 121.41 2k13 s ASP 27 Ca 0.10 -2.25 -0.13 0.00 0.71 0.00 0.00 52.55 50.98 2k13 s ASP 27 Cb -0.25 -1.00 0.18 0.00 1.01 0.00 0.00 42.92 42.86 2k13 s ASP 27 CO 0.06 -0.33 1.73 -0.07 0.21 0.00 0.00 175.17 176.77 2k13 h LEU 28 N 7.26 0.07 0.03 1.23 -0.00 -1.92 0.42 115.31 122.41 2k13 h LEU 28 Ca -0.05 0.08 -0.00 0.00 -0.00 0.00 0.00 57.88 57.90 2k13 h LEU 28 Cb 0.96 0.09 0.00 0.00 -0.00 0.00 0.00 40.66 41.72 2k13 h LEU 28 CO 0.48 0.07 -0.02 -2.24 -0.00 0.00 0.00 178.44 176.73 2k13 h ASP 29 N 0.28 -0.04 -0.82 -0.43 3.04 -1.99 -3.08 116.42 113.38 2k13 h ASP 29 Ca 0.25 -0.09 0.04 0.00 -3.24 0.00 0.00 57.03 53.99 2k13 h ASP 29 Cb 0.31 0.01 -0.05 0.00 -1.04 0.00 0.00 39.33 38.56 2k13 h ASP 29 CO -0.29 0.07 0.54 -0.33 -2.04 0.00 0.00 179.24 177.18 2k13 h GLU 30 N -0.14 0.96 -0.86 4.15 5.08 -1.72 -1.24 114.58 120.80 2k13 h GLU 30 Ca -0.00 -0.06 0.08 0.00 -1.00 0.00 0.00 59.36 58.38 2k13 h GLU 30 Cb 0.13 -0.22 -0.07 0.00 0.50 0.00 0.00 28.75 29.09 2k13 h GLU 30 CO 0.01 0.63 0.52 0.00 -1.00 0.00 0.00 179.01 179.17 2k13 h LYS 32 N 0.90 0.46 -0.67 0.00 6.56 -1.20 -0.48 116.57 122.14 2k13 h LYS 32 Ca 0.40 -0.09 -0.02 0.00 -1.06 0.00 0.00 60.65 59.88 2k13 h LYS 32 Cb 0.29 -0.07 -0.03 0.00 -0.57 0.00 0.00 32.23 31.85 2k13 h LYS 32 CO -0.22 0.49 0.35 1.57 -2.06 0.00 0.00 179.45 179.58 2k13 h LYS 33 N 0.34 0.95 -0.81 3.15 2.10 -0.79 -1.61 116.57 119.89 2k13 h LYS 33 Ca 0.10 -0.12 -0.01 0.00 -2.00 0.00 0.00 60.65 58.62 2k13 h LYS 33 Cb 0.20 -0.18 -0.04 0.00 -0.90 0.00 0.00 32.23 31.32 2k13 h LYS 33 CO -0.01 0.73 0.48 1.15 -2.00 0.00 0.00 179.45 179.80 2k13 h THR 34 N 0.92 1.23 -0.94 0.07 2.02 0.58 -1.06 112.91 115.74 2k13 h THR 34 Ca 0.23 -0.51 0.06 0.00 0.77 0.00 0.00 66.41 66.97 2k13 h THR 34 Cb 0.07 0.10 -0.07 0.00 -1.74 0.00 0.00 68.15 66.52 2k13 h THR 34 CO -0.03 0.24 0.60 0.00 0.37 0.00 0.00 175.52 176.69 2k13 h PHE 36 N 1.08 0.63 0.11 0.00 0.04 -0.57 -3.25 116.94 114.98 2k13 h PHE 36 Ca 0.41 -0.06 0.02 0.00 2.80 0.00 0.00 57.97 61.13 2k13 h PHE 36 Cb 0.17 -0.18 -0.04 0.00 2.20 0.00 0.00 35.95 38.11 2k13 h PHE 36 CO -0.02 0.59 -0.27 0.87 -0.60 0.00 0.00 178.31 178.88 2k13 h LYS 37 N 0.58 -0.46 0.00 1.51 1.57 0.01 -3.44 116.57 116.34 2k13 h LYS 37 Ca 0.12 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 2k13 h LYS 37 Cb 0.33 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.75 2k13 h LYS 37 CO 0.01 -0.30 0.00 2.41 -0.57 0.00 0.00 179.45 180.99 2k13 n THR 38 N -5.38 0.00 -0.06 -0.16 -1.04 -1.20 -4.99 114.28 101.44 2k13 n THR 38 Ca -0.06 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.87 2k13 n THR 38 Cb 0.29 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.74 2k13 n THR 38 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2k13 h GLU 39 N 0.00 0.00 -0.07 -2.82 3.07 -1.86 -3.44 114.58 109.46 2k13 h GLU 39 Ca 0.00 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.81 2k13 h GLU 39 Cb 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 2k13 h GLU 39 CO 0.00 0.48 -0.18 1.88 -1.40 0.00 0.00 179.01 179.79 2k13 h TYR 40 N -1.00 0.12 -0.75 4.33 0.05 -1.86 -3.40 116.97 114.46 2k13 h TYR 40 Ca -0.03 -0.01 -0.36 0.00 0.05 0.00 0.00 58.73 58.38 2k13 h TYR 40 Cb 0.56 -0.03 -0.06 0.00 1.01 0.00 0.00 36.73 38.21 2k13 h TYR 40 CO 0.10 0.29 0.94 0.00 -1.05 0.00 0.00 178.16 178.44 2k13 n TYR 42 N 13.05 0.00 -5.12 0.00 0.18 -1.24 -4.28 117.16 119.74 2k13 n TYR 42 Ca 0.40 0.00 -0.29 0.00 1.88 0.00 0.00 57.90 59.88 2k13 n TYR 42 Cb 0.47 0.01 -0.16 0.00 -0.38 0.00 0.00 39.34 39.28 2k13 n TYR 42 CO 0.00 0.00 0.00 0.42 -2.08 0.00 0.00 176.86 175.20 2k13 s ILE 43 N 0.00 1.83 0.02 -3.48 -1.09 -1.26 -1.59 121.20 115.64 2k13 s ILE 43 Ca 0.00 -0.95 0.02 0.00 -2.23 0.00 0.00 60.65 57.49 2k13 s ILE 43 Cb 0.00 -1.55 -0.02 0.00 -1.58 0.00 0.00 42.46 39.31 2k13 s ILE 43 CO 0.00 0.51 -0.06 -0.69 -1.23 0.00 0.00 174.94 173.47 2k13 s VAL 44 N -0.18 0.43 -0.10 2.92 1.01 -0.83 -0.44 120.40 123.21 2k13 s VAL 44 Ca -0.01 -0.70 0.04 0.00 0.00 0.00 0.00 61.98 61.30 2k13 s VAL 44 Cb -0.12 -0.45 0.00 0.00 0.00 0.00 0.00 36.38 35.81 2k13 s VAL 44 CO 0.02 -0.19 -0.22 -0.36 0.00 0.00 0.00 175.10 174.35 2k13 s PHE 45 N -0.86 2.44 -0.05 5.22 0.40 0.36 -2.45 117.98 123.04 2k13 s PHE 45 Ca -0.06 -1.02 0.05 0.00 -0.60 0.00 0.00 56.93 55.30 2k13 s PHE 45 Cb -0.07 -1.65 -0.01 0.00 0.51 0.00 0.00 43.02 41.81 2k13 s PHE 45 CO 0.00 -0.42 -0.19 -1.21 0.70 0.00 0.00 175.22 174.09 2k13 s GLU 46 N 0.43 1.97 -0.15 0.44 2.02 -0.98 -0.43 118.70 122.00 2k13 s GLU 46 Ca -0.17 -0.68 -0.28 0.00 0.02 0.00 0.00 54.97 53.86 2k13 s GLU 46 Cb -0.17 -1.70 -0.01 0.00 0.10 0.00 0.00 34.13 32.34 2k13 s GLU 46 CO 0.07 0.28 0.94 0.34 0.02 0.00 0.00 175.26 176.91 2k13 s ASP 47 N -0.02 7.10 0.34 -0.19 -1.08 0.77 -0.45 116.67 123.14 2k13 s ASP 47 Ca -0.04 1.35 0.22 0.00 -0.52 0.00 0.00 52.55 53.57 2k13 s ASP 47 Cb -0.12 -2.51 0.19 0.00 -1.46 0.00 0.00 42.92 39.02 2k13 s ASP 47 CO 0.02 -0.46 1.39 0.00 0.52 0.00 0.00 175.17 176.64 2k13 h THR 48 N 5.19 0.08 0.08 1.71 1.03 -1.16 0.17 112.91 120.00 2k13 h THR 48 Ca -0.28 -1.12 -0.13 0.00 -0.01 0.00 0.00 66.41 64.87 2k13 h THR 48 Cb 1.13 1.87 0.01 0.00 -1.07 0.00 0.00 68.15 70.08 2k13 h THR 48 CO 0.87 0.04 -0.60 0.58 -0.01 0.00 0.00 175.52 176.40 2k13 h VAL 49 N 0.00 1.54 0.00 0.00 2.07 -1.92 -3.37 116.25 114.57 2k13 h VAL 49 Ca -0.01 -2.43 0.00 0.00 0.82 0.00 0.00 66.70 65.08 2k13 h VAL 49 Cb 1.05 3.17 0.00 0.00 -1.52 0.00 0.00 31.29 33.99 2k13 h VAL 49 CO 0.01 0.65 -1.61 0.59 0.02 0.00 0.00 177.57 177.23 2k13 n ASN 50 N -4.30 0.32 -2.83 0.57 3.02 -1.25 -4.97 115.26 105.81 2k13 n ASN 50 Ca -0.15 0.06 -0.15 0.00 -0.03 0.00 0.00 54.58 54.31 2k13 n ASN 50 Cb 0.69 1.43 0.06 0.00 -0.61 0.00 0.00 39.78 41.36 2k13 n ASN 50 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2k13 n LYS 51 N -2.34 -5.36 -3.82 3.52 4.01 0.55 -5.04 118.16 109.67 2k13 n LYS 51 Ca -0.02 0.63 -0.20 0.00 -0.51 0.00 0.00 58.31 58.21 2k13 n LYS 51 Cb 0.55 -5.04 -0.02 0.00 -0.51 0.00 0.00 35.03 30.01 2k13 n LYS 51 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 2k13 s GLU 52 N -5.37 3.23 -0.07 1.97 0.41 -0.98 -4.88 118.70 113.01 2k13 s GLU 52 Ca 0.16 -0.91 0.01 0.00 -0.41 0.00 0.00 54.97 53.82 2k13 s GLU 52 Cb -0.07 -2.80 0.02 0.00 -1.78 0.00 0.00 34.13 29.50 2k13 s GLU 52 CO 0.55 0.29 -0.06 0.00 -0.49 0.00 0.00 175.26 175.55 2k13 s TYR 54 N 1.15 2.65 -0.15 0.00 1.51 0.43 -3.79 117.35 119.15 2k13 s TYR 54 Ca -0.07 -1.21 -0.02 0.00 -1.01 0.00 0.00 57.07 54.76 2k13 s TYR 54 Cb -0.14 -1.79 -0.02 0.00 -0.11 0.00 0.00 41.96 39.90 2k13 s TYR 54 CO -0.01 -0.53 -0.08 1.52 -1.11 0.00 0.00 175.55 175.33 2k13 s TYR 55 N 0.66 2.91 -0.06 2.71 -0.85 -0.29 -0.49 117.35 121.95 2k13 s TYR 55 Ca -0.11 -0.57 -0.30 0.00 -0.52 0.00 0.00 57.07 55.58 2k13 s TYR 55 Cb -0.16 -1.93 -0.05 0.00 0.38 0.00 0.00 41.96 40.20 2k13 s TYR 55 CO 0.02 -0.20 1.52 1.21 -1.52 0.00 0.00 175.55 176.58 2k13 s ASN 56 N 0.53 6.76 0.00 -0.18 2.47 0.42 -1.89 114.94 123.05 2k13 s ASN 56 Ca -0.06 2.12 0.11 0.00 0.42 0.00 0.00 52.86 55.45 2k13 s ASN 56 Cb -0.15 -2.54 0.06 0.00 -1.45 0.00 0.00 41.25 37.17 2k13 s ASN 56 CO 0.03 -0.84 0.80 1.33 -3.72 0.00 0.00 177.10 174.70 2k13 n VAL 57 N 5.22 0.00 -3.58 -5.21 0.24 -1.07 -3.57 118.33 110.37 2k13 n VAL 57 Ca 0.16 -0.47 -0.11 0.00 -2.04 0.00 0.00 64.34 61.88 2k13 n VAL 57 Cb 0.43 1.20 0.00 0.00 -1.47 0.00 0.00 33.84 34.01 2k13 n VAL 57 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 2k13 n VAL 58 N 0.37 0.00 -1.87 3.34 0.31 -1.26 -4.46 118.33 114.76 2k13 n VAL 58 Ca 0.06 -0.91 -0.35 0.00 -0.01 0.00 0.00 64.34 63.13 2k13 n VAL 58 Cb 0.27 -0.37 -0.03 0.00 -0.91 0.00 0.00 33.84 32.80 2k13 n VAL 58 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 2k13 s ASP 59 N -2.38 4.93 0.00 4.52 1.11 -1.26 -4.59 116.67 119.00 2k13 s ASP 59 Ca 0.15 0.44 0.24 0.00 0.18 0.00 0.00 52.55 53.55 2k13 s ASP 59 Cb -0.01 -2.53 0.20 0.00 1.07 0.00 0.00 42.92 41.65 2k13 s ASP 59 CO 0.09 -2.65 1.22 0.61 1.18 0.00 0.00 175.17 175.62 2k13 n GLY 60 N 5.97 -0.17 0.31 0.21 0.00 -1.26 -3.38 105.19 106.87 2k13 n GLY 60 Ca 0.29 -0.58 0.19 0.00 0.00 0.00 0.00 46.02 45.92 2k13 n GLY 60 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2k13 h GLU 61 N 2.03 0.00 0.00 1.61 4.11 -1.91 0.76 114.58 121.19 2k13 h GLU 61 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2k13 h GLU 61 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 2k13 h GLU 61 CO 0.00 0.02 -0.54 -1.91 0.07 0.00 0.00 179.01 176.65 2k13 n GLU 62 N -3.25 0.03 -2.01 1.06 2.13 -1.22 -4.80 120.64 112.58 2k13 n GLU 62 Ca -0.02 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.38 2k13 n GLU 62 Cb 0.15 -1.51 -0.03 0.00 0.27 0.00 0.00 31.44 30.32 2k13 n GLU 62 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2k13 s LEU 63 N -3.10 3.76 -0.60 4.31 1.43 0.26 -4.91 118.68 119.81 2k13 s LEU 63 Ca 0.10 1.60 -0.19 0.00 -1.03 0.00 0.00 54.13 54.61 2k13 s LEU 63 Cb 0.17 -3.53 0.11 0.00 0.03 0.00 0.00 46.19 42.97 2k13 s LEU 63 CO 0.71 -1.46 0.71 -0.62 0.23 0.00 0.00 176.35 175.93 2k13 s ASP 64 N 5.20 6.21 0.22 2.29 2.15 -1.26 -4.93 116.67 126.54 2k13 s ASP 64 Ca 0.78 -1.49 -0.08 0.00 0.43 0.00 0.00 52.55 52.19 2k13 s ASP 64 Cb -0.26 -2.30 0.28 0.00 -0.30 0.00 0.00 42.92 40.34 2k13 s ASP 64 CO 0.32 -1.10 1.81 1.56 -0.17 0.00 0.00 175.17 177.60 2k13 h GLN 65 N 9.14 0.72 0.00 4.34 7.50 -1.97 -1.60 115.11 133.24 2k13 h GLN 65 Ca -0.28 -0.04 0.00 0.00 0.50 0.00 0.00 58.65 58.83 2k13 h GLN 65 Cb 1.08 -0.16 0.00 0.00 0.05 0.00 0.00 27.48 28.45 2k13 h GLN 65 CO 1.09 0.48 0.00 0.39 -1.50 0.00 0.00 178.83 179.29 2k13 n GLU 66 N -4.76 0.40 -0.12 1.46 4.71 -1.26 -1.82 120.64 119.25 2k13 n GLU 66 Ca 0.10 0.01 0.07 0.00 -0.01 0.00 0.00 57.16 57.33 2k13 n GLU 66 Cb 0.19 -1.50 0.13 0.00 -1.01 0.00 0.00 31.44 29.25 2k13 n GLU 66 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2k13 n LYS 67 N -1.29 1.95 -2.51 3.49 4.01 -0.62 -4.96 118.16 118.22 2k13 n LYS 67 Ca 0.14 -1.79 -0.33 0.00 -0.51 0.00 0.00 58.31 55.82 2k13 n LYS 67 Cb 0.24 -1.30 -0.04 0.00 -0.51 0.00 0.00 35.03 33.41 2k13 n LYS 67 CO 0.00 0.00 0.00 -0.06 -1.11 0.00 0.00 177.40 176.23 2k13 s PHE 68 N -1.07 3.30 0.33 2.13 0.40 -0.76 -4.94 117.98 117.37 2k13 s PHE 68 Ca 0.23 1.53 0.09 0.00 -0.60 0.00 0.00 56.93 58.18 2k13 s PHE 68 Cb 0.13 -2.87 -0.05 0.00 0.51 0.00 0.00 43.02 40.75 2k13 s PHE 68 CO 0.19 -0.43 0.03 0.08 0.70 0.00 0.00 175.22 175.80 2k13 s VAL 69 N -2.39 2.77 -0.32 -0.44 1.01 -1.17 -4.88 120.40 114.99 2k13 s VAL 69 Ca 0.61 -1.92 -0.12 0.00 0.00 0.00 0.00 61.98 60.56 2k13 s VAL 69 Cb -0.11 -2.83 -0.02 0.00 0.00 0.00 0.00 36.38 33.42 2k13 s VAL 69 CO 0.25 -0.21 0.22 -0.69 0.00 0.00 0.00 175.10 174.66 2k13 s VAL 70 N -2.48 5.18 -0.40 2.92 1.01 -1.26 0.14 120.40 125.52 2k13 s VAL 70 Ca 0.35 -0.16 -0.05 0.00 0.00 0.00 0.00 61.98 62.12 2k13 s VAL 70 Cb -0.01 -3.61 0.09 0.00 0.00 0.00 0.00 36.38 32.84 2k13 s VAL 70 CO 0.20 0.06 0.20 -1.81 0.00 0.00 0.00 175.10 173.75 2k13 s ASP 71 N 1.71 5.34 0.60 3.32 1.01 -1.26 -4.75 116.67 122.65 2k13 s ASP 71 Ca 0.06 -1.73 0.32 0.00 0.71 0.00 0.00 52.55 51.91 2k13 s ASP 71 Cb -0.17 -1.87 1.91 0.00 1.01 0.00 0.00 42.92 43.80 2k13 s ASP 71 CO 0.10 -0.50 2.27 -0.33 0.21 0.00 0.00 175.17 176.91 2k13 h GLU 72 N 8.18 0.00 0.00 8.23 5.08 -1.92 -3.08 114.58 131.07 2k13 h GLU 72 Ca -0.18 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.15 2k13 h GLU 72 Cb 1.06 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.31 2k13 h GLU 72 CO 0.70 0.01 -0.13 -2.95 -1.00 0.00 0.00 179.01 175.64 2k13 h ASN 73 N 0.00 0.00 -1.90 1.42 -1.07 -1.95 -3.44 115.58 108.65 2k13 h ASN 73 Ca -0.00 0.00 -0.57 0.00 0.07 0.00 0.00 56.30 55.80 2k13 h ASN 73 Cb 0.02 0.00 -0.09 0.00 -2.07 0.00 0.00 38.32 36.17 2k13 h ASN 73 CO 0.00 0.13 -0.58 -0.36 0.07 0.00 0.00 177.43 176.69 2k13 s PHE 74 N -3.91 2.63 -0.08 4.14 0.40 -1.16 -0.60 117.98 119.39 2k13 s PHE 74 Ca -0.01 -0.41 0.04 0.00 -0.60 0.00 0.00 56.93 55.95 2k13 s PHE 74 Cb 0.11 -1.56 -0.01 0.00 0.51 0.00 0.00 43.02 42.07 2k13 s PHE 74 CO 0.58 0.41 -0.20 0.95 0.70 0.00 0.00 175.22 177.66 2k13 s THR 75 N -2.47 2.46 -0.27 0.64 -4.23 0.41 -3.98 115.64 108.19 2k13 s THR 75 Ca 0.36 -0.90 -0.11 0.00 -1.18 0.00 0.00 61.69 59.86 2k13 s THR 75 Cb -0.01 -1.95 -0.05 0.00 1.34 0.00 0.00 72.50 71.83 2k13 s THR 75 CO 0.21 0.56 0.18 -0.70 -0.54 0.00 0.00 174.62 174.33 2k13 s GLU 76 N -0.03 3.95 -0.07 3.99 2.12 -1.06 -2.33 118.70 125.26 2k13 s GLU 76 Ca -0.06 -0.32 -0.04 0.00 0.36 0.00 0.00 54.97 54.91 2k13 s GLU 76 Cb -0.15 -3.61 0.04 0.00 0.26 0.00 0.00 34.13 30.67 2k13 s GLU 76 CO 0.05 -0.14 0.17 0.54 -0.54 0.00 0.00 175.26 175.34 2k13 s ASN 77 N 1.63 -0.16 0.04 -1.70 6.03 -1.02 -2.91 114.94 116.86 2k13 s ASN 77 Ca 0.07 0.36 0.04 0.00 -1.03 0.00 0.00 52.86 52.30 2k13 s ASN 77 Cb -0.16 0.27 -0.02 0.00 -3.03 0.00 0.00 41.25 38.31 2k13 s ASN 77 CO 0.09 -0.14 -0.11 -0.72 -2.03 0.00 0.00 177.10 174.20 2k13 s TYR 78 N 1.02 0.95 0.05 1.54 1.13 -0.63 -1.97 117.35 119.44 2k13 s TYR 78 Ca -0.08 -0.40 -0.30 0.00 -1.41 0.00 0.00 57.07 54.88 2k13 s TYR 78 Cb -0.10 -0.56 -0.09 0.00 -1.10 0.00 0.00 41.96 40.12 2k13 s TYR 78 CO -0.06 -0.01 1.91 -1.17 -2.51 0.00 0.00 175.55 173.72 2k13 s LEU 79 N -1.32 4.42 -0.03 -3.49 2.96 -0.62 -0.15 118.68 120.45 2k13 s LEU 79 Ca -0.03 2.66 0.04 0.00 -0.22 0.00 0.00 54.13 56.57 2k13 s LEU 79 Cb -0.08 -3.54 -0.00 0.00 0.50 0.00 0.00 46.19 43.06 2k13 s LEU 79 CO 0.01 -1.03 -0.14 -0.89 -1.32 0.00 0.00 176.35 172.98 2k13 s THR 80 N 4.01 1.17 0.00 3.68 2.01 -1.14 -4.92 115.64 120.45 2k13 s THR 80 Ca 0.85 -0.59 0.00 0.00 0.31 0.00 0.00 61.69 62.26 2k13 s THR 80 Cb -0.43 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.08 2k13 s THR 80 CO 0.39 0.34 0.00 -0.67 -0.69 0.00 0.00 174.62 173.99 2k13 n ASP 81 N 3.07 0.00 -4.17 3.53 2.03 -1.26 -4.76 116.55 114.99 2k13 n ASP 81 Ca -0.17 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.72 2k13 n ASP 81 Cb 0.54 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.94 2k13 n ASP 81 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k13 h GLU 83 N 6.86 0.26 -5.72 0.00 4.81 -1.97 -3.40 114.58 115.41 2k13 h GLU 83 Ca 0.50 -0.06 -0.66 0.00 -0.13 0.00 0.00 59.36 59.01 2k13 h GLU 83 Cb 0.76 -0.03 -0.21 0.00 0.63 0.00 0.00 28.75 29.90 2k13 h GLU 83 CO 1.66 0.40 -0.69 0.20 -0.73 0.00 0.00 179.01 179.85 2k13 s GLY 84 N -4.04 1.69 -0.45 1.92 0.00 -1.26 -5.07 107.32 100.11 2k13 s GLY 84 Ca -0.06 -0.86 0.03 0.00 0.00 0.00 0.00 44.72 43.83 2k13 s GLY 84 CO 0.74 -0.38 0.31 -1.59 0.00 0.00 0.00 173.10 172.18 2k13 s LYS 85 N -0.24 1.15 -0.12 2.90 0.00 -1.26 -4.90 119.74 117.27 2k13 s LYS 85 Ca 0.03 -2.11 -0.27 0.00 0.00 0.00 0.00 55.97 53.62 2k13 s LYS 85 Cb -0.13 -1.89 -0.27 0.00 0.00 0.00 0.00 37.83 35.54 2k13 s LYS 85 CO 0.03 -1.29 0.79 0.22 0.00 0.00 0.00 175.35 175.10 2k13 h ASP 86 N 6.12 0.12 -3.73 0.03 3.58 -1.97 -3.42 116.42 117.14 2k13 h ASP 86 Ca 0.15 -0.98 -0.65 0.00 0.42 0.00 0.00 57.03 55.97 2k13 h ASP 86 Cb 0.90 -0.04 -0.38 0.00 1.72 0.00 0.00 39.33 41.53 2k13 h ASP 86 CO 0.42 1.11 -0.78 0.00 -2.88 0.00 0.00 179.24 177.12 2k13 s ALA 87 N -2.27 2.43 0.00 -0.78 0.00 -1.26 -5.06 121.76 114.82 2k13 s ALA 87 Ca -0.18 -1.83 0.00 0.00 0.00 0.00 0.00 51.96 49.95 2k13 s ALA 87 Cb -0.02 -1.63 0.00 0.00 0.00 0.00 0.00 23.12 21.47 2k13 s ALA 87 CO 0.72 -1.33 0.00 0.41 0.00 0.00 0.00 175.76 175.56 2k13 n GLY 88 N 4.47 3.44 3.63 0.00 0.00 -1.26 -5.17 105.19 110.31 2k13 n GLY 88 Ca -0.09 -1.05 -0.04 0.00 0.00 0.00 0.00 46.02 44.84 2k13 n GLY 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k13 s ASN 89 N 0.00 -0.12 -0.35 1.61 2.20 -1.25 -4.39 114.94 112.63 2k13 s ASN 89 Ca 0.00 0.18 -0.00 0.00 -0.94 0.00 0.00 52.86 52.09 2k13 s ASN 89 Cb 0.00 0.16 0.19 0.00 -2.00 0.00 0.00 41.25 39.59 2k13 s ASN 89 CO 0.00 -0.09 0.81 0.00 -2.94 0.00 0.00 177.10 174.88 2k13 s ALA 90 N -0.64 -3.26 -0.66 3.54 0.00 -0.09 -4.90 121.76 115.75 2k13 s ALA 90 Ca 0.06 0.80 -0.23 0.00 0.00 0.00 0.00 51.96 52.59 2k13 s ALA 90 Cb -0.02 -2.82 0.07 0.00 0.00 0.00 0.00 23.12 20.34 2k13 s ALA 90 CO -0.09 -2.26 0.98 0.00 0.00 0.00 0.00 175.76 174.40 2k13 s ALA 91 N 2.12 3.10 -0.35 0.00 0.00 -1.26 0.46 121.76 125.83 2k13 s ALA 91 Ca 0.16 -1.82 0.04 0.00 0.00 0.00 0.00 51.96 50.33 2k13 s ALA 91 Cb -0.02 -3.88 0.37 0.00 0.00 0.00 0.00 23.12 19.59 2k13 s ALA 91 CO -0.14 -2.80 1.37 0.41 0.00 0.00 0.00 175.76 174.60 2k13 n GLY 92 N 5.33 2.96 3.66 0.00 0.00 -0.96 -4.95 105.19 111.23 2k13 n GLY 92 Ca -0.03 -0.53 -0.57 0.00 0.00 0.00 0.00 46.02 44.89 2k13 n GLY 92 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2k13 n THR 93 N -0.13 0.29 -0.76 2.61 -1.04 -1.26 -4.15 114.28 109.83 2k13 n THR 93 Ca 0.26 -0.08 -0.09 0.00 -2.04 0.00 0.00 64.05 62.10 2k13 n THR 93 Cb 0.99 -1.26 -0.12 0.00 -1.82 0.00 0.00 70.33 68.12 2k13 n THR 93 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2k13 n GLY 94 N 4.68 2.56 3.82 3.41 0.00 -1.26 -4.83 105.19 113.57 2k13 n GLY 94 Ca 0.30 -0.87 -0.23 0.00 0.00 0.00 0.00 46.02 45.22 2k13 n GLY 94 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k13 s ASP 95 N 2.17 5.57 -1.24 1.61 2.15 -1.26 -4.93 116.67 120.74 2k13 s ASP 95 Ca 0.48 -0.19 -0.20 0.00 0.43 0.00 0.00 52.55 53.07 2k13 s ASP 95 Cb 0.23 -1.44 -0.00 0.00 -0.30 0.00 0.00 42.92 41.40 2k13 s ASP 95 CO 0.00 -0.00 1.86 -0.62 -0.17 0.00 0.00 175.17 176.24 2k13 n GLU 96 N -0.91 2.49 -3.84 4.34 4.71 -1.26 -4.89 120.64 121.28 2k13 n GLU 96 Ca -0.08 -2.84 -0.36 0.00 -0.01 0.00 0.00 57.16 53.87 2k13 n GLU 96 Cb 0.57 -3.53 -0.13 0.00 -1.01 0.00 0.00 31.44 27.35 2k13 n GLU 96 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 2k13 s SER 97 N 4.98 5.02 0.06 1.62 1.04 -1.26 -4.96 113.70 120.20 2k13 s SER 97 Ca 0.59 -0.21 0.10 0.00 0.48 0.00 0.00 55.95 56.90 2k13 s SER 97 Cb 0.04 -1.89 -0.21 0.00 0.10 0.00 0.00 66.02 64.06 2k13 s SER 97 CO 0.09 -0.01 1.03 0.44 0.98 0.00 0.00 173.24 175.77 2k13 h ASP 98 N 8.02 0.00 -0.09 7.02 3.32 -1.75 -3.48 116.42 129.46 2k13 h ASP 98 Ca -0.38 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.63 2k13 h ASP 98 Cb 1.17 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.71 2k13 h ASP 98 CO 0.59 0.98 -0.04 -0.62 -1.72 0.00 0.00 179.24 178.43 2k13 n GLU 99 N -3.22 -0.71 0.09 3.56 1.02 -1.26 -4.90 120.64 115.23 2k13 n GLU 99 Ca -0.07 0.33 -0.10 0.00 -0.02 0.00 0.00 57.16 57.31 2k13 n GLU 99 Cb 0.98 -3.97 -0.06 0.00 -0.02 0.00 0.00 31.44 28.37 2k13 n GLU 99 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2k13 h VAL 100 N 0.00 0.55 -1.06 2.62 2.07 -1.92 -3.25 116.25 115.26 2k13 h VAL 100 Ca -0.04 -0.96 -0.62 0.00 0.82 0.00 0.00 66.70 65.90 2k13 h VAL 100 Cb 0.41 0.92 -0.36 0.00 -1.52 0.00 0.00 31.29 30.74 2k13 h VAL 100 CO 0.06 0.14 -0.01 -0.67 0.02 0.00 0.00 177.57 177.11 2k13 n ASP 101 N -4.98 6.17 -4.04 0.57 2.03 -1.26 -4.90 116.55 110.12 2k13 n ASP 101 Ca -0.07 -3.77 -0.40 0.00 0.52 0.00 0.00 54.79 51.07 2k13 n ASP 101 Cb 0.24 -0.66 0.00 0.00 -0.72 0.00 0.00 41.12 39.98 2k13 n ASP 101 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 2k13 n GLU 102 N -0.74 -0.74 0.00 -0.67 0.00 -1.23 -5.12 120.64 112.14 2k13 n GLU 102 Ca 0.51 0.16 0.00 0.00 0.00 0.00 0.00 57.16 57.83 2k13 n GLU 102 Cb 0.75 -3.11 0.00 0.00 0.00 0.00 0.00 31.44 29.08 2k13 n GLU 102 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66