#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k13 n GLU 2 N 0.00 3.27 -0.62 3.44 1.02 -1.26 -5.14 120.64 121.35 2k13 n GLU 2 Ca 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.15 2k13 n GLU 2 Cb 0.00 -0.25 -0.01 0.00 -0.02 0.00 0.00 31.44 31.16 2k13 n GLU 2 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2k13 n ARG 3 N -0.48 -1.58 -1.45 3.49 3.00 -1.26 -5.06 116.66 113.32 2k13 n ARG 3 Ca 0.00 1.24 0.19 0.00 -0.01 0.00 0.00 57.85 59.27 2k13 n ARG 3 Cb 0.00 -1.59 -0.06 0.00 0.00 0.00 0.00 32.46 30.81 2k13 n ARG 3 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2k13 n GLU 4 N -2.15 -3.01 -2.90 5.56 4.71 -1.26 -4.90 120.64 116.70 2k13 n GLU 4 Ca -0.01 2.09 -0.08 0.00 -0.01 0.00 0.00 57.16 59.15 2k13 n GLU 4 Cb 0.21 -3.63 -0.03 0.00 -1.01 0.00 0.00 31.44 26.98 2k13 n GLU 4 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 2k13 n ASP 5 N -4.28 -0.01 -4.45 1.62 -0.08 -1.26 -4.66 116.55 103.44 2k13 n ASP 5 Ca -0.01 -1.87 -0.44 0.00 -1.51 0.00 0.00 54.79 50.97 2k13 n ASP 5 Cb 0.67 0.61 -0.08 0.00 2.34 0.00 0.00 41.12 44.66 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 2.19 2.73 -0.16 0.00 0.51 -1.26 -4.18 118.94 118.77 2k13 s TRP 7 Ca 0.11 -0.18 -0.06 0.00 -2.12 0.00 0.00 56.10 53.84 2k13 s TRP 7 Cb -0.20 -1.66 -0.04 0.00 -0.81 0.00 0.00 33.47 30.77 2k13 s TRP 7 CO 0.11 0.17 0.06 -0.08 -0.51 0.00 0.00 176.95 176.70 2k13 s THR 8 N -0.64 4.81 0.01 2.01 -1.32 0.41 -2.16 115.64 118.76 2k13 s THR 8 Ca 0.10 -0.04 -0.19 0.00 -1.21 0.00 0.00 61.69 60.35 2k13 s THR 8 Cb -0.11 -3.13 -0.06 0.00 -1.51 0.00 0.00 72.50 67.69 2k13 s THR 8 CO 0.01 0.51 0.56 0.12 -2.21 0.00 0.00 174.62 173.61 2k13 s PHE 9 N -0.06 3.71 -0.11 9.09 5.36 -1.26 -2.36 117.98 132.34 2k13 s PHE 9 Ca 0.07 1.17 -0.11 0.00 -0.96 0.00 0.00 56.93 57.10 2k13 s PHE 9 Cb -0.12 -2.54 -0.04 0.00 -0.34 0.00 0.00 43.02 39.98 2k13 s PHE 9 CO 0.01 0.43 -0.22 0.98 -1.46 0.00 0.00 175.22 174.97 2k13 n TYR 10 N 2.43 0.00 -3.60 10.12 9.36 -1.21 -5.02 117.16 129.23 2k13 n TYR 10 Ca -0.09 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.14 2k13 n TYR 10 Cb 0.51 -0.31 -0.01 0.00 -0.63 0.00 0.00 39.34 38.90 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 -2.94 -2.26 -0.32 2.98 0.00 -1.26 -5.09 121.76 112.87 2k13 s ALA 11 Ca -0.18 1.14 -0.27 0.00 0.00 0.00 0.00 51.96 52.66 2k13 s ALA 11 Cb 0.02 0.11 0.01 0.00 0.00 0.00 0.00 23.12 23.26 2k13 s ALA 11 CO 0.27 -0.88 0.96 -0.80 0.00 0.00 0.00 175.76 175.31 2k13 s ASN 12 N -2.66 6.81 0.20 0.00 0.02 -1.26 -3.00 114.94 115.06 2k13 s ASN 12 Ca 0.13 0.87 -0.16 0.00 -1.02 0.00 0.00 52.86 52.68 2k13 s ASN 12 Cb 0.03 -2.49 0.02 0.00 0.02 0.00 0.00 41.25 38.83 2k13 s ASN 12 CO -0.04 -0.78 0.49 -0.13 0.02 0.00 0.00 177.10 176.65 2k13 s ARG 13 N 3.38 1.38 -0.28 -0.60 0.52 -1.25 -4.25 118.95 117.85 2k13 s ARG 13 Ca 0.40 -0.96 -0.22 0.00 -0.52 0.00 0.00 55.73 54.44 2k13 s ARG 13 Cb -0.13 0.50 0.09 0.00 0.52 0.00 0.00 34.95 35.92 2k13 s ARG 13 CO 0.15 -0.57 0.77 0.21 0.02 0.00 0.00 175.30 175.87 2k13 s LYS 14 N -3.90 0.73 -0.98 3.54 2.20 0.32 -4.41 119.74 117.23 2k13 s LYS 14 Ca 0.12 0.99 -0.19 0.00 -0.36 0.00 0.00 55.97 56.52 2k13 s LYS 14 Cb -0.00 0.29 0.11 0.00 -1.51 0.00 0.00 37.83 36.71 2k13 s LYS 14 CO -0.01 -0.11 1.24 -0.47 -0.36 0.00 0.00 175.35 175.64 2k13 s TYR 15 N 0.79 3.00 0.00 4.03 5.04 -1.26 -2.29 117.35 126.66 2k13 s TYR 15 Ca -0.03 -1.32 0.00 0.00 -2.44 0.00 0.00 57.07 53.28 2k13 s TYR 15 Cb -0.05 -4.39 0.00 0.00 0.35 0.00 0.00 41.96 37.87 2k13 s TYR 15 CO -0.07 -1.60 0.68 0.25 -1.34 0.00 0.00 175.55 173.47 2k13 n THR 16 N 5.78 0.00 0.00 4.34 -2.24 -1.26 -4.75 114.28 116.15 2k13 n THR 16 Ca 0.28 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 2k13 n THR 16 Cb 0.49 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 2k13 n THR 16 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2k13 n ASP 17 N 3.19 0.00 -0.48 3.42 5.68 -1.26 -5.02 116.55 122.07 2k13 n ASP 17 Ca 0.00 0.00 0.09 0.00 -0.50 0.00 0.00 54.79 54.38 2k13 n ASP 17 Cb 0.34 0.00 0.20 0.00 -1.14 0.00 0.00 41.12 40.52 2k13 n ASP 17 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 2k13 n PHE 18 N -0.05 0.47 0.26 2.11 3.72 -1.26 -4.65 117.46 118.06 2k13 n PHE 18 Ca 0.00 -0.93 0.15 0.00 -0.05 0.00 0.00 57.45 56.62 2k13 n PHE 18 Cb 0.00 -0.23 0.55 0.00 -0.94 0.00 0.00 39.48 38.85 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 0.91 0.00 0.09 4.37 3.58 -1.95 -2.93 116.42 120.49 2k13 h ASP 19 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2k13 h ASP 19 Cb 1.22 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.27 2k13 h ASP 19 CO 0.11 0.03 0.00 2.29 -2.88 0.00 0.00 179.24 178.80 2k13 n LYS 20 N -3.13 0.23 -1.44 0.28 0.00 -1.26 -4.88 118.16 107.96 2k13 n LYS 20 Ca 0.01 0.09 0.00 0.00 -0.00 0.00 0.00 58.31 58.42 2k13 n LYS 20 Cb 0.37 -1.50 0.00 0.00 -0.00 0.00 0.00 35.03 33.90 2k13 n LYS 20 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 2k13 n SER 21 N -1.14 -1.92 -4.24 -5.58 7.64 -1.10 -4.60 113.62 102.69 2k13 n SER 21 Ca 0.06 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.78 2k13 n SER 21 Cb 0.05 -0.96 -0.11 0.00 -1.01 0.00 0.00 64.21 62.19 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 0.00 1.33 0.02 1.43 0.08 -1.26 -2.55 117.98 117.02 2k13 s PHE 22 Ca 0.00 -0.62 0.08 0.00 0.12 0.00 0.00 56.93 56.52 2k13 s PHE 22 Cb 0.00 -0.69 -0.02 0.00 -0.57 0.00 0.00 43.02 41.74 2k13 s PHE 22 CO 0.00 0.12 -0.25 0.15 -0.10 0.00 0.00 175.22 175.14 2k13 s LYS 23 N -2.99 1.88 -0.15 0.44 1.02 -0.77 -4.88 119.74 114.27 2k13 s LYS 23 Ca 0.11 -1.00 -0.00 0.00 0.02 0.00 0.00 55.97 55.10 2k13 s LYS 23 Cb -0.03 -1.94 -0.01 0.00 -0.52 0.00 0.00 37.83 35.34 2k13 s LYS 23 CO 0.02 0.51 -0.13 0.21 -0.92 0.00 0.00 175.35 175.04 2k13 s LYS 24 N -0.93 3.28 -0.18 1.68 2.20 -1.26 -1.36 119.74 123.18 2k13 s LYS 24 Ca 0.10 -0.72 -0.11 0.00 -0.36 0.00 0.00 55.97 54.89 2k13 s LYS 24 Cb -0.10 -2.67 0.06 0.00 -1.51 0.00 0.00 37.83 33.61 2k13 s LYS 24 CO 0.01 0.05 0.43 -1.54 -0.36 0.00 0.00 175.35 173.94 2k13 s SER 25 N 0.75 -0.53 -0.71 1.43 1.04 -1.21 -5.04 113.70 109.43 2k13 s SER 25 Ca -0.06 0.93 -0.18 0.00 0.48 0.00 0.00 55.95 57.12 2k13 s SER 25 Cb -0.15 0.83 0.13 0.00 0.10 0.00 0.00 66.02 66.92 2k13 s SER 25 CO 0.01 -0.19 0.83 -0.94 0.98 0.00 0.00 173.24 173.93 2k13 s SER 26 N 1.22 6.38 -0.21 7.02 1.04 -1.26 -4.46 113.70 123.43 2k13 s SER 26 Ca -0.08 -1.76 -0.03 0.00 0.48 0.00 0.00 55.95 54.57 2k13 s SER 26 Cb -0.07 -2.32 0.06 0.00 0.10 0.00 0.00 66.02 63.80 2k13 s SER 26 CO -0.11 -1.03 0.04 -1.81 0.98 0.00 0.00 173.24 171.31 2k13 s ASP 27 N 3.39 3.06 0.08 7.02 1.01 -1.26 -5.03 116.67 124.93 2k13 s ASP 27 Ca 0.18 -0.92 -0.21 0.00 0.71 0.00 0.00 52.55 52.31 2k13 s ASP 27 Cb -0.17 -0.63 -0.12 0.00 1.01 0.00 0.00 42.92 43.01 2k13 s ASP 27 CO 0.00 -0.32 1.61 0.25 0.21 0.00 0.00 175.17 176.93 2k13 h LEU 28 N 8.22 0.18 0.05 1.23 5.85 -2.00 0.91 115.31 129.76 2k13 h LEU 28 Ca -0.16 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.39 2k13 h LEU 28 Cb 1.11 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.09 2k13 h LEU 28 CO 0.35 0.30 -0.03 0.44 -0.34 0.00 0.00 178.44 179.17 2k13 h ASP 29 N 0.05 -0.06 -0.71 1.25 3.32 -2.00 -3.17 116.42 115.09 2k13 h ASP 29 Ca 0.04 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 2k13 h ASP 29 Cb 0.18 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.71 2k13 h ASP 29 CO -0.00 0.09 0.40 -0.33 -1.72 0.00 0.00 179.24 177.67 2k13 h GLU 30 N -0.21 1.01 -0.84 3.56 5.08 -1.94 -2.48 114.58 118.76 2k13 h GLU 30 Ca -0.01 -0.11 0.10 0.00 -1.00 0.00 0.00 59.36 58.34 2k13 h GLU 30 Cb 0.18 -0.20 -0.07 0.00 0.50 0.00 0.00 28.75 29.16 2k13 h GLU 30 CO 0.01 0.74 0.48 0.00 -1.00 0.00 0.00 179.01 179.24 2k13 h LYS 32 N 0.80 0.68 -0.55 0.00 6.56 -1.53 0.37 116.57 122.90 2k13 h LYS 32 Ca 0.40 -0.17 0.00 0.00 -1.06 0.00 0.00 60.65 59.83 2k13 h LYS 32 Cb 0.37 -0.09 -0.03 0.00 -0.57 0.00 0.00 32.23 31.92 2k13 h LYS 32 CO -0.25 0.70 0.35 1.57 -2.06 0.00 0.00 179.45 179.76 2k13 h LYS 33 N 0.55 0.73 -0.67 3.15 2.10 -1.04 0.18 116.57 121.57 2k13 h LYS 33 Ca 0.13 -0.05 -0.03 0.00 -2.00 0.00 0.00 60.65 58.70 2k13 h LYS 33 Cb 0.33 -0.16 -0.03 0.00 -0.90 0.00 0.00 32.23 31.47 2k13 h LYS 33 CO 0.00 0.50 0.31 1.15 -2.00 0.00 0.00 179.45 179.42 2k13 h THR 34 N 0.74 1.23 -0.98 0.07 2.02 -0.11 -0.87 112.91 115.01 2k13 h THR 34 Ca 0.20 -0.65 0.02 0.00 0.77 0.00 0.00 66.41 66.75 2k13 h THR 34 Cb -0.06 0.42 -0.05 0.00 -1.74 0.00 0.00 68.15 66.72 2k13 h THR 34 CO -0.04 0.27 0.65 0.00 0.37 0.00 0.00 175.52 176.77 2k13 h PHE 36 N 1.29 0.66 0.34 0.00 0.04 0.04 -3.25 116.94 116.06 2k13 h PHE 36 Ca 0.38 -0.05 -0.02 0.00 2.80 0.00 0.00 57.97 61.08 2k13 h PHE 36 Cb -0.08 -0.20 0.00 0.00 2.20 0.00 0.00 35.95 37.88 2k13 h PHE 36 CO -0.00 0.57 -0.16 0.87 -0.60 0.00 0.00 178.31 178.99 2k13 h LYS 37 N 0.63 -0.44 0.00 1.51 1.57 -0.31 -3.45 116.57 116.08 2k13 h LYS 37 Ca 0.14 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 2k13 h LYS 37 Cb 0.25 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.66 2k13 h LYS 37 CO -0.00 -0.28 0.00 2.41 -0.57 0.00 0.00 179.45 181.01 2k13 n THR 38 N -5.28 0.00 -0.06 -0.16 -1.04 -1.18 -4.99 114.28 101.57 2k13 n THR 38 Ca -0.10 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.87 2k13 n THR 38 Cb 0.21 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.69 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 -0.04 -2.82 5.08 -1.87 -3.43 114.58 111.50 2k13 h GLU 39 Ca 0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 2k13 h GLU 39 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2k13 h GLU 39 CO 0.00 0.19 -0.26 1.88 -1.00 0.00 0.00 179.01 179.82 2k13 h TYR 40 N -1.00 0.07 -0.66 4.33 0.05 -1.86 -3.41 116.97 114.49 2k13 h TYR 40 Ca -0.02 -0.01 -0.33 0.00 0.05 0.00 0.00 58.73 58.42 2k13 h TYR 40 Cb 0.29 -0.02 -0.05 0.00 1.01 0.00 0.00 36.73 37.97 2k13 h TYR 40 CO 0.00 0.32 0.92 0.00 -1.05 0.00 0.00 178.16 178.36 2k13 n TYR 42 N 13.72 0.00 -5.02 0.00 0.18 -1.25 -4.28 117.16 120.51 2k13 n TYR 42 Ca 0.42 -0.04 -0.28 0.00 1.88 0.00 0.00 57.90 59.87 2k13 n TYR 42 Cb 0.47 -0.00 -0.16 0.00 -0.38 0.00 0.00 39.34 39.26 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 -0.08 1.69 0.03 -3.48 -1.09 -1.26 -0.93 121.20 116.07 2k13 s ILE 43 Ca 0.00 -0.87 0.01 0.00 -2.23 0.00 0.00 60.65 57.57 2k13 s ILE 43 Cb 0.00 -1.44 -0.02 0.00 -1.58 0.00 0.00 42.46 39.43 2k13 s ILE 43 CO 0.00 0.48 -0.06 -0.69 -1.23 0.00 0.00 174.94 173.44 2k13 s VAL 44 N -0.08 0.39 -0.09 2.92 1.01 -0.90 -0.36 120.40 123.28 2k13 s VAL 44 Ca -0.03 -0.81 0.04 0.00 0.00 0.00 0.00 61.98 61.18 2k13 s VAL 44 Cb -0.12 -0.45 0.00 0.00 0.00 0.00 0.00 36.38 35.82 2k13 s VAL 44 CO 0.02 -0.29 -0.21 -0.36 0.00 0.00 0.00 175.10 174.27 2k13 s PHE 45 N -1.07 2.28 -0.06 5.22 0.08 0.63 -2.51 117.98 122.56 2k13 s PHE 45 Ca -0.08 -0.93 0.04 0.00 0.12 0.00 0.00 56.93 56.08 2k13 s PHE 45 Cb -0.08 -1.55 -0.00 0.00 -0.57 0.00 0.00 43.02 40.82 2k13 s PHE 45 CO -0.00 -0.39 -0.20 -1.21 -0.10 0.00 0.00 175.22 173.32 2k13 s GLU 46 N 0.44 2.17 -0.14 0.44 2.02 -0.99 -0.49 118.70 122.15 2k13 s GLU 46 Ca -0.18 -0.70 -0.17 0.00 0.02 0.00 0.00 54.97 53.95 2k13 s GLU 46 Cb -0.17 -1.81 -0.04 0.00 0.10 0.00 0.00 34.13 32.21 2k13 s GLU 46 CO 0.07 0.23 0.41 0.34 0.02 0.00 0.00 175.26 176.34 2k13 s ASP 47 N 0.13 6.59 -0.09 -0.19 -1.08 0.72 -0.39 116.67 122.36 2k13 s ASP 47 Ca -0.08 0.70 0.15 0.00 -0.52 0.00 0.00 52.55 52.80 2k13 s ASP 47 Cb -0.14 -2.25 -0.23 0.00 -1.46 0.00 0.00 42.92 38.84 2k13 s ASP 47 CO 0.04 0.02 0.45 0.41 0.52 0.00 0.00 175.17 176.61 2k13 n THR 48 N 3.70 1.47 0.00 1.71 -1.04 0.24 -2.31 114.28 118.05 2k13 n THR 48 Ca -0.09 -0.81 -0.18 0.00 -2.04 0.00 0.00 64.05 60.93 2k13 n THR 48 Cb 0.52 -0.79 -0.14 0.00 -1.82 0.00 0.00 70.33 68.10 2k13 n THR 48 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 2k13 h VAL 49 N 0.00 1.55 -0.00 12.58 2.07 -1.90 -3.33 116.25 127.23 2k13 h VAL 49 Ca -0.37 -2.46 0.00 0.00 0.82 0.00 0.00 66.70 64.69 2k13 h VAL 49 Cb 2.06 3.20 0.00 0.00 -1.52 0.00 0.00 31.29 35.03 2k13 h VAL 49 CO 0.06 0.67 -0.70 0.59 0.02 0.00 0.00 177.57 178.20 2k13 n ASN 50 N -4.27 1.05 -3.61 0.57 3.02 -1.26 -4.99 115.26 105.76 2k13 n ASN 50 Ca -0.14 -0.88 -0.21 0.00 -0.03 0.00 0.00 54.58 53.32 2k13 n ASN 50 Cb 0.72 0.62 0.01 0.00 -0.61 0.00 0.00 39.78 40.52 2k13 n ASN 50 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 2k13 n LYS 51 N -1.16 -1.33 -4.48 3.52 0.00 -1.13 -5.02 118.16 108.57 2k13 n LYS 51 Ca 0.06 0.84 -0.25 0.00 -0.00 0.00 0.00 58.31 58.96 2k13 n LYS 51 Cb 0.36 -3.48 -0.08 0.00 -0.00 0.00 0.00 35.03 31.83 2k13 n LYS 51 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 2k13 s GLU 52 N -4.83 1.93 -0.17 -1.58 2.02 -0.98 -4.93 118.70 110.16 2k13 s GLU 52 Ca 0.12 -2.17 -0.08 0.00 0.02 0.00 0.00 54.97 52.85 2k13 s GLU 52 Cb -0.05 -0.43 0.06 0.00 0.10 0.00 0.00 34.13 33.82 2k13 s GLU 52 CO 0.86 -0.53 0.39 0.00 0.02 0.00 0.00 175.26 176.00 2k13 s TYR 54 N 1.63 2.41 -0.15 0.00 2.02 0.36 -3.29 117.35 120.33 2k13 s TYR 54 Ca -0.08 -1.09 -0.02 0.00 -0.37 0.00 0.00 57.07 55.51 2k13 s TYR 54 Cb -0.09 -1.65 -0.02 0.00 -0.40 0.00 0.00 41.96 39.80 2k13 s TYR 54 CO -0.12 -0.48 -0.08 1.52 -1.57 0.00 0.00 175.55 174.81 2k13 s TYR 55 N 0.63 2.92 -0.12 2.71 -0.85 -0.46 -0.27 117.35 121.90 2k13 s TYR 55 Ca -0.13 -0.56 -0.29 0.00 -0.52 0.00 0.00 57.07 55.57 2k13 s TYR 55 Cb -0.16 -1.93 -0.03 0.00 0.38 0.00 0.00 41.96 40.22 2k13 s TYR 55 CO 0.03 -0.20 1.33 1.21 -1.52 0.00 0.00 175.55 176.40 2k13 s ASN 56 N 0.54 6.90 0.00 -0.18 2.47 0.52 -1.86 114.94 123.34 2k13 s ASN 56 Ca -0.06 1.83 0.13 0.00 0.42 0.00 0.00 52.86 55.18 2k13 s ASN 56 Cb -0.15 -2.54 0.13 0.00 -1.45 0.00 0.00 41.25 37.23 2k13 s ASN 56 CO 0.03 -0.76 0.94 1.33 -3.72 0.00 0.00 177.10 174.92 2k13 n VAL 57 N 5.24 0.10 -4.01 -5.21 0.24 -1.06 -3.69 118.33 109.94 2k13 n VAL 57 Ca 0.14 -0.55 -0.06 0.00 -2.04 0.00 0.00 64.34 61.83 2k13 n VAL 57 Cb 0.45 1.19 -0.01 0.00 -1.47 0.00 0.00 33.84 34.00 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 0.71 0.00 -1.55 3.34 0.31 -1.26 -4.43 118.33 115.46 2k13 n VAL 58 Ca 0.08 -0.45 -0.36 0.00 -0.01 0.00 0.00 64.34 63.61 2k13 n VAL 58 Cb 0.33 -0.03 -0.03 0.00 -0.91 0.00 0.00 33.84 33.20 2k13 n VAL 58 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2k13 n ASP 59 N -1.28 2.28 -0.31 4.52 9.92 -1.26 -4.58 116.55 125.85 2k13 n ASP 59 Ca -0.03 -0.52 0.11 0.00 -0.53 0.00 0.00 54.79 53.81 2k13 n ASP 59 Cb 0.12 -1.58 -0.05 0.00 -0.64 0.00 0.00 41.12 38.98 2k13 n ASP 59 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2k13 n GLY 60 N 6.03 -0.37 0.26 0.44 0.00 -1.26 -3.56 105.19 106.73 2k13 n GLY 60 Ca 0.38 -0.63 0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 1.50 0.00 0.00 1.61 4.11 -1.91 0.93 114.58 120.82 2k13 h GLU 61 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.39 2k13 h GLU 61 Cb 0.66 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 2k13 h GLU 61 CO 0.00 0.11 -0.21 1.49 0.07 0.00 0.00 179.01 180.47 2k13 h GLU 62 N 0.00 0.00 -6.44 1.06 4.81 -1.95 -3.42 114.58 108.64 2k13 h GLU 62 Ca -0.00 0.00 -0.56 0.00 -0.13 0.00 0.00 59.36 58.67 2k13 h GLU 62 Cb 0.29 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.59 2k13 h GLU 62 CO 0.01 0.21 0.93 -0.51 -0.73 0.00 0.00 179.01 178.92 2k13 s LEU 63 N -6.54 3.52 -0.23 1.64 1.43 0.32 -4.95 118.68 113.86 2k13 s LEU 63 Ca 0.02 -0.03 -0.15 0.00 -1.03 0.00 0.00 54.13 52.95 2k13 s LEU 63 Cb 0.09 -3.04 -0.04 0.00 0.03 0.00 0.00 46.19 43.22 2k13 s LEU 63 CO 0.65 -1.49 0.35 -0.62 0.23 0.00 0.00 176.35 175.47 2k13 s ASP 64 N 3.04 6.32 0.25 2.29 -1.08 -1.26 -4.96 116.67 121.27 2k13 s ASP 64 Ca 0.40 0.37 -0.05 0.00 -0.52 0.00 0.00 52.55 52.74 2k13 s ASP 64 Cb -0.08 -2.20 0.27 0.00 -1.46 0.00 0.00 42.92 39.45 2k13 s ASP 64 CO 0.23 -0.09 1.85 0.06 0.52 0.00 0.00 175.17 177.74 2k13 h GLN 65 N 7.68 1.14 0.00 4.34 -0.00 -1.96 -1.84 115.11 124.46 2k13 h GLN 65 Ca -0.35 -0.16 -0.01 0.00 -0.00 0.00 0.00 58.65 58.14 2k13 h GLN 65 Cb 1.16 -0.21 -0.00 0.00 -0.00 0.00 0.00 27.48 28.43 2k13 h GLN 65 CO 0.68 0.87 -0.03 0.93 -0.00 0.00 0.00 178.83 181.28 2k13 h GLU 66 N 1.13 0.00 -0.37 0.06 5.08 -2.02 -1.19 114.58 117.27 2k13 h GLU 66 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 2k13 h GLU 66 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2k13 h GLU 66 CO -0.04 0.03 0.00 1.63 -1.00 0.00 0.00 179.01 179.64 2k13 n LYS 67 N -3.28 2.39 -2.78 2.33 4.01 -0.70 -4.92 118.16 115.22 2k13 n LYS 67 Ca -0.02 -2.10 -0.34 0.00 -0.51 0.00 0.00 58.31 55.34 2k13 n LYS 67 Cb 0.18 -1.49 -0.06 0.00 -0.51 0.00 0.00 35.03 33.14 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 -1.52 3.37 0.06 2.13 0.40 -0.45 -4.79 117.98 117.18 2k13 s PHE 68 Ca 0.38 1.65 0.09 0.00 -0.60 0.00 0.00 56.93 58.45 2k13 s PHE 68 Cb 0.22 -2.90 -0.03 0.00 0.51 0.00 0.00 43.02 40.82 2k13 s PHE 68 CO 0.31 -0.11 -0.24 0.08 0.70 0.00 0.00 175.22 175.96 2k13 s VAL 69 N -2.01 2.39 -0.18 -0.44 1.01 -0.97 -4.79 120.40 115.41 2k13 s VAL 69 Ca 0.59 -1.39 -0.29 0.00 0.00 0.00 0.00 61.98 60.90 2k13 s VAL 69 Cb -0.12 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.23 2k13 s VAL 69 CO 0.17 0.31 1.83 0.54 0.00 0.00 0.00 175.10 177.95 2k13 s VAL 70 N -0.89 3.40 -0.40 2.92 0.11 -1.26 0.12 120.40 124.39 2k13 s VAL 70 Ca 0.13 0.44 0.03 0.00 -2.93 0.00 0.00 61.98 59.65 2k13 s VAL 70 Cb -0.10 -3.42 0.12 0.00 -1.53 0.00 0.00 36.38 31.44 2k13 s VAL 70 CO 0.04 -0.19 0.15 -0.62 -3.33 0.00 0.00 175.10 171.16 2k13 s ASP 71 N 5.37 4.27 0.61 3.54 2.15 -1.26 -4.76 116.67 126.59 2k13 s ASP 71 Ca 0.82 -2.39 0.32 0.00 0.43 0.00 0.00 52.55 51.73 2k13 s ASP 71 Cb -0.30 -1.36 1.83 0.00 -0.30 0.00 0.00 42.92 42.79 2k13 s ASP 71 CO 0.33 -0.32 2.16 -0.33 -0.17 0.00 0.00 175.17 176.84 2k13 h GLU 72 N 7.22 0.00 -0.83 4.34 3.07 -1.91 -3.17 114.58 123.29 2k13 h GLU 72 Ca -0.06 0.00 0.05 0.00 -0.50 0.00 0.00 59.36 58.85 2k13 h GLU 72 Cb 0.96 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.82 2k13 h GLU 72 CO 0.55 0.00 0.52 -2.95 -1.40 0.00 0.00 179.01 175.73 2k13 h ASN 73 N 0.00 0.83 -1.67 1.42 7.08 -1.95 -3.44 115.58 117.85 2k13 h ASN 73 Ca 0.04 0.01 -0.47 0.00 -3.08 0.00 0.00 56.30 52.80 2k13 h ASN 73 Cb 0.32 -0.17 -0.02 0.00 -2.08 0.00 0.00 38.32 36.38 2k13 h ASN 73 CO -0.00 0.55 -0.37 -0.36 -2.08 0.00 0.00 177.43 175.17 2k13 s PHE 74 N -6.08 2.87 -0.09 4.14 0.40 -1.20 -0.60 117.98 117.43 2k13 s PHE 74 Ca -0.13 -0.36 0.03 0.00 -0.60 0.00 0.00 56.93 55.88 2k13 s PHE 74 Cb 0.18 -2.05 -0.01 0.00 0.51 0.00 0.00 43.02 41.64 2k13 s PHE 74 CO 0.79 -0.05 -0.20 0.95 0.70 0.00 0.00 175.22 177.41 2k13 s THR 75 N -2.33 2.50 -0.26 0.64 -4.23 0.48 -3.96 115.64 108.47 2k13 s THR 75 Ca 0.46 -0.89 -0.12 0.00 -1.18 0.00 0.00 61.69 59.96 2k13 s THR 75 Cb -0.07 -1.97 -0.05 0.00 1.34 0.00 0.00 72.50 71.75 2k13 s THR 75 CO 0.29 0.56 0.25 -1.83 -0.54 0.00 0.00 174.62 173.35 2k13 s GLU 76 N 0.02 4.01 -0.04 3.99 -1.05 -1.16 -2.36 118.70 122.11 2k13 s GLU 76 Ca -0.07 -0.17 -0.01 0.00 -0.15 0.00 0.00 54.97 54.56 2k13 s GLU 76 Cb -0.15 -3.62 0.03 0.00 -0.44 0.00 0.00 34.13 29.95 2k13 s GLU 76 CO 0.05 -0.14 0.04 0.54 0.95 0.00 0.00 175.26 176.70 2k13 s ASN 77 N 1.52 0.98 -0.11 0.83 6.03 -1.04 -3.31 114.94 119.82 2k13 s ASN 77 Ca 0.10 0.04 0.02 0.00 -1.03 0.00 0.00 52.86 51.99 2k13 s ASN 77 Cb -0.15 -0.18 -0.01 0.00 -3.03 0.00 0.00 41.25 37.88 2k13 s ASN 77 CO 0.09 -0.21 -0.18 -0.31 -2.03 0.00 0.00 177.10 174.46 2k13 s TYR 78 N 1.88 2.69 -0.46 1.54 1.51 -1.00 -2.13 117.35 121.38 2k13 s TYR 78 Ca 0.02 -0.80 -0.26 0.00 -1.01 0.00 0.00 57.07 55.01 2k13 s TYR 78 Cb -0.12 -1.77 0.03 0.00 -0.11 0.00 0.00 41.96 39.98 2k13 s TYR 78 CO -0.03 -0.28 0.98 -1.17 -1.11 0.00 0.00 175.55 173.94 2k13 s LEU 79 N 0.29 3.91 -0.09 -1.29 0.20 -0.11 -0.44 118.68 121.15 2k13 s LEU 79 Ca -0.13 0.23 0.01 0.00 0.69 0.00 0.00 54.13 54.93 2k13 s LEU 79 Cb -0.17 -3.29 0.02 0.00 -0.43 0.00 0.00 46.19 42.32 2k13 s LEU 79 CO 0.07 -1.10 -0.11 -0.89 -0.29 0.00 0.00 176.35 174.03 2k13 s THR 80 N 3.93 1.12 0.00 3.68 2.01 -1.26 -4.87 115.64 120.25 2k13 s THR 80 Ca 0.40 -0.42 0.00 0.00 0.31 0.00 0.00 61.69 61.99 2k13 s THR 80 Cb -0.09 -1.06 0.00 0.00 0.01 0.00 0.00 72.50 71.35 2k13 s THR 80 CO 0.28 0.37 0.00 0.47 -0.69 0.00 0.00 174.62 175.04 2k13 n ASP 81 N 4.29 0.00 0.05 3.53 8.00 -1.26 -4.62 116.55 126.55 2k13 n ASP 81 Ca -0.19 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.27 2k13 n ASP 81 Cb 0.51 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.59 2k13 n ASP 81 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k13 n GLU 83 N -3.01 -3.75 0.00 0.00 1.02 -1.26 -5.08 120.64 108.55 2k13 n GLU 83 Ca -0.02 2.92 0.00 0.00 -0.02 0.00 0.00 57.16 60.03 2k13 n GLU 83 Cb 0.10 -4.42 0.00 0.00 -0.02 0.00 0.00 31.44 27.10 2k13 n GLU 83 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k13 n GLY 84 N 1.57 0.70 0.13 0.62 0.00 -1.26 -4.97 105.19 101.99 2k13 n GLY 84 Ca -0.26 -0.75 -0.21 0.00 0.00 0.00 0.00 46.02 44.80 2k13 n GLY 84 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k13 n LYS 85 N -0.10 0.72 -0.12 1.61 4.01 -1.26 -0.32 118.16 122.70 2k13 n LYS 85 Ca 0.00 0.28 -0.24 0.00 -0.51 0.00 0.00 58.31 57.83 2k13 n LYS 85 Cb 0.00 -1.68 -0.10 0.00 -0.51 0.00 0.00 35.03 32.74 2k13 n LYS 85 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 2k13 n ASP 86 N -3.57 1.91 0.00 4.39 5.75 -1.26 -4.57 116.55 119.20 2k13 n ASP 86 Ca -0.35 0.39 0.00 0.00 -0.01 0.00 0.00 54.79 54.82 2k13 n ASP 86 Cb 1.00 -0.88 0.00 0.00 -1.03 0.00 0.00 41.12 40.21 2k13 n ASP 86 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2k13 n ALA 87 N -3.88 0.00 0.00 2.12 0.00 -1.26 -4.35 120.51 113.14 2k13 n ALA 87 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.03 2k13 n ALA 87 Cb 0.76 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.21 2k13 n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k13 n GLY 88 N 0.00 -1.49 3.14 0.00 0.00 -1.26 -5.03 105.19 100.55 2k13 n GLY 88 Ca 0.00 0.59 -0.38 0.00 0.00 0.00 0.00 46.02 46.23 2k13 n GLY 88 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2k13 s ASN 89 N -4.00 5.39 -0.28 1.61 3.04 -1.26 -5.02 114.94 114.42 2k13 s ASN 89 Ca 0.00 -2.22 0.01 0.00 0.04 0.00 0.00 52.86 50.69 2k13 s ASN 89 Cb 0.00 -1.89 0.08 0.00 -1.54 0.00 0.00 41.25 37.90 2k13 s ASN 89 CO 0.00 -0.54 0.01 0.00 -3.04 0.00 0.00 177.10 173.53 2k13 s ALA 90 N 0.88 2.07 -0.53 1.71 0.00 -1.26 -4.82 121.76 119.81 2k13 s ALA 90 Ca 0.10 -1.71 -0.18 0.00 0.00 0.00 0.00 51.96 50.16 2k13 s ALA 90 Cb -0.23 -1.61 0.08 0.00 0.00 0.00 0.00 23.12 21.37 2k13 s ALA 90 CO -0.03 -1.43 0.61 0.00 0.00 0.00 0.00 175.76 174.91 2k13 s ALA 91 N 1.34 3.44 -0.20 0.00 0.00 -0.92 -4.82 121.76 120.60 2k13 s ALA 91 Ca 0.02 -2.02 -0.16 0.00 0.00 0.00 0.00 51.96 49.80 2k13 s ALA 91 Cb -0.18 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.53 2k13 s ALA 91 CO -0.11 -2.09 0.42 0.20 0.00 0.00 0.00 175.76 174.18 2k13 s GLY 92 N 3.07 2.10 -0.20 0.00 0.00 -1.26 -4.10 107.32 106.92 2k13 s GLY 92 Ca 0.11 -0.49 -0.07 0.00 0.00 0.00 0.00 44.72 44.27 2k13 s GLY 92 CO 0.09 0.86 0.26 2.41 0.00 0.00 0.00 173.10 176.72 2k13 n THR 93 N 4.35 -6.51 -0.59 0.90 -1.04 -1.26 -4.92 114.28 105.20 2k13 n THR 93 Ca -0.08 0.49 0.08 0.00 -2.04 0.00 0.00 64.05 62.51 2k13 n THR 93 Cb 0.51 -5.60 -0.02 0.00 -1.82 0.00 0.00 70.33 63.40 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 -0.32 -1.91 3.18 3.41 0.00 -1.26 -4.98 105.19 103.31 2k13 n GLY 94 Ca 0.05 -1.36 0.04 0.00 0.00 0.00 0.00 46.02 44.75 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 -5.09 -1.12 0.00 1.61 2.15 -1.26 -4.84 116.67 108.12 2k13 s ASP 95 Ca 0.00 0.77 0.00 0.00 0.43 0.00 0.00 52.55 53.75 2k13 s ASP 95 Cb 0.00 1.97 0.00 0.00 -0.30 0.00 0.00 42.92 44.59 2k13 s ASP 95 CO 0.00 -0.21 0.00 1.21 -0.17 0.00 0.00 175.17 176.00 2k13 n GLU 96 N 5.43 0.00 -0.16 4.34 2.13 -1.26 -5.02 120.64 126.10 2k13 n GLU 96 Ca -0.03 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.70 2k13 n GLU 96 Cb 0.52 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 32.19 2k13 n GLU 96 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 2k13 h SER 97 N 0.00 -1.42 -0.59 4.31 0.02 -1.95 -2.07 113.55 111.86 2k13 h SER 97 Ca 0.00 0.23 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 2k13 h SER 97 Cb 0.00 0.64 0.00 0.00 0.14 0.00 0.00 62.40 63.18 2k13 h SER 97 CO 0.00 -0.35 0.00 -0.67 -1.14 0.00 0.00 176.83 174.67 2k13 n ASP 98 N -5.41 3.84 -4.55 3.07 2.03 -1.26 -4.75 116.55 109.52 2k13 n ASP 98 Ca 0.01 -2.14 -0.42 0.00 0.52 0.00 0.00 54.79 52.75 2k13 n ASP 98 Cb 0.35 -0.44 -0.02 0.00 -0.72 0.00 0.00 41.12 40.29 2k13 n ASP 98 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 2k13 s GLU 99 N -1.27 3.71 -0.12 -0.67 2.12 -0.78 -4.61 118.70 117.09 2k13 s GLU 99 Ca 0.42 -1.48 -0.05 0.00 0.36 0.00 0.00 54.97 54.22 2k13 s GLU 99 Cb 0.24 -5.35 -0.05 0.00 0.26 0.00 0.00 34.13 29.23 2k13 s GLU 99 CO 0.25 -2.16 -0.15 1.33 -0.54 0.00 0.00 175.26 174.00 2k13 n VAL 100 N 6.52 0.66 0.00 3.70 0.24 -1.25 -4.99 118.33 123.21 2k13 n VAL 100 Ca 0.36 -0.18 0.00 0.00 -2.04 0.00 0.00 64.34 62.49 2k13 n VAL 100 Cb 0.49 -1.57 0.00 0.00 -1.47 0.00 0.00 33.84 31.29 2k13 n VAL 100 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2k13 n ASP 101 N -3.45 0.00 -0.33 -1.34 2.03 -1.26 -4.93 116.55 107.27 2k13 n ASP 101 Ca -0.23 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.06 2k13 n ASP 101 Cb 0.67 0.00 0.11 0.00 -0.72 0.00 0.00 41.12 41.18 2k13 n ASP 101 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 2k13 h GLU 102 N 0.00 1.12 0.00 -0.67 4.57 -1.97 -3.56 114.58 114.07 2k13 h GLU 102 Ca 0.00 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 2k13 h GLU 102 Cb 0.00 -0.25 0.00 0.00 -0.16 0.00 0.00 28.75 28.34 2k13 h GLU 102 CO 0.00 0.74 0.00 -3.47 -1.18 0.00 0.00 179.01 175.10