#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 0.00 -1.96 3.49 0.00 -1.26 -5.11 120.64 115.80 2k13 n GLU 2 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 57.16 56.78 2k13 n GLU 2 Cb 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 31.44 31.25 2k13 n GLU 2 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2k13 n ARG 3 N 0.00 0.93 -3.72 3.44 1.74 -1.26 -4.87 116.66 112.92 2k13 n ARG 3 Ca 0.00 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.74 2k13 n ARG 3 Cb 0.57 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.96 2k13 n ARG 3 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 2k13 s GLU 4 N -1.94 3.62 1.14 5.56 4.04 -1.26 -4.88 118.70 124.98 2k13 s GLU 4 Ca 0.00 -0.04 -0.19 0.00 0.04 0.00 0.00 54.97 54.78 2k13 s GLU 4 Cb 0.00 -3.03 0.27 0.00 0.02 0.00 0.00 34.13 31.39 2k13 s GLU 4 CO 0.00 0.61 1.20 0.34 -1.84 0.00 0.00 175.26 175.57 2k13 s ASP 5 N -1.84 1.49 -0.52 0.83 2.15 -1.26 -4.80 116.67 112.72 2k13 s ASP 5 Ca 0.31 0.40 -0.18 0.00 0.43 0.00 0.00 52.55 53.51 2k13 s ASP 5 Cb -0.13 -0.50 0.08 0.00 -0.30 0.00 0.00 42.92 42.07 2k13 s ASP 5 CO 0.18 -3.75 0.59 0.00 -0.17 0.00 0.00 175.17 172.02 2k13 s TRP 7 N 2.37 3.44 -0.23 0.00 0.51 -1.26 -4.59 118.94 119.18 2k13 s TRP 7 Ca 0.11 0.10 -0.09 0.00 -2.12 0.00 0.00 56.10 54.10 2k13 s TRP 7 Cb -0.22 -1.73 -0.04 0.00 -0.81 0.00 0.00 33.47 30.67 2k13 s TRP 7 CO 0.09 0.28 0.11 -0.08 -0.51 0.00 0.00 176.95 176.84 2k13 s THR 8 N -2.12 4.93 -0.15 2.01 -1.32 0.67 -4.12 115.64 115.54 2k13 s THR 8 Ca 0.37 0.03 -0.09 0.00 -1.21 0.00 0.00 61.69 60.79 2k13 s THR 8 Cb -0.09 -3.28 -0.05 0.00 -1.51 0.00 0.00 72.50 67.57 2k13 s THR 8 CO 0.32 0.37 0.16 0.12 -2.21 0.00 0.00 174.62 173.38 2k13 s PHE 9 N 1.05 3.53 -0.14 9.09 5.36 -1.26 -1.84 117.98 133.77 2k13 s PHE 9 Ca 0.06 0.49 -0.15 0.00 -0.96 0.00 0.00 56.93 56.37 2k13 s PHE 9 Cb -0.14 -2.07 -0.05 0.00 -0.34 0.00 0.00 43.02 40.42 2k13 s PHE 9 CO 0.04 0.53 -0.28 0.98 -1.46 0.00 0.00 175.22 175.03 2k13 n TYR 10 N 2.66 0.00 -3.63 10.12 9.36 -1.24 -5.06 117.16 129.37 2k13 n TYR 10 Ca -0.18 0.00 -0.04 0.00 3.32 0.00 0.00 57.90 61.01 2k13 n TYR 10 Cb 0.54 -0.40 -0.01 0.00 -0.63 0.00 0.00 39.34 38.83 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 -2.85 -1.91 -0.37 2.98 0.00 -1.26 -5.07 121.76 113.28 2k13 s ALA 11 Ca -0.23 0.75 -0.27 0.00 0.00 0.00 0.00 51.96 52.20 2k13 s ALA 11 Cb 0.03 0.38 0.02 0.00 0.00 0.00 0.00 23.12 23.55 2k13 s ALA 11 CO 0.35 -0.87 1.00 -0.80 0.00 0.00 0.00 175.76 175.43 2k13 s ASN 12 N -2.70 6.74 0.22 0.00 0.02 -1.26 -3.51 114.94 114.45 2k13 s ASN 12 Ca 0.10 0.68 -0.19 0.00 -1.02 0.00 0.00 52.86 52.44 2k13 s ASN 12 Cb 0.00 -2.50 0.03 0.00 0.02 0.00 0.00 41.25 38.80 2k13 s ASN 12 CO -0.03 -0.92 0.58 0.00 0.02 0.00 0.00 177.10 176.75 2k13 s ARG 13 N 3.66 1.50 -0.24 -0.60 1.70 -1.23 -4.56 118.95 119.18 2k13 s ARG 13 Ca 0.41 -0.90 -0.19 0.00 -0.47 0.00 0.00 55.73 54.58 2k13 s ARG 13 Cb -0.11 0.55 0.07 0.00 -0.57 0.00 0.00 34.95 34.88 2k13 s ARG 13 CO 0.20 -0.65 0.62 0.21 -1.08 0.00 0.00 175.30 174.60 2k13 s LYS 14 N -3.89 0.70 -0.68 3.89 2.20 0.46 -4.37 119.74 118.05 2k13 s LYS 14 Ca 0.10 0.95 -0.27 0.00 -0.36 0.00 0.00 55.97 56.39 2k13 s LYS 14 Cb -0.02 0.27 0.02 0.00 -1.51 0.00 0.00 37.83 36.59 2k13 s LYS 14 CO 0.00 -0.11 1.40 -0.47 -0.36 0.00 0.00 175.35 175.81 2k13 s TYR 15 N 0.73 2.19 -0.01 4.03 5.04 -1.26 -2.17 117.35 125.90 2k13 s TYR 15 Ca -0.03 0.21 0.00 0.00 -2.44 0.00 0.00 57.07 54.81 2k13 s TYR 15 Cb -0.05 -4.49 0.00 0.00 0.35 0.00 0.00 41.96 37.77 2k13 s TYR 15 CO -0.05 -2.07 0.00 0.25 -1.34 0.00 0.00 175.55 172.33 2k13 n THR 16 N 6.62 0.00 -3.95 4.34 -2.24 -1.26 -4.42 114.28 113.37 2k13 n THR 16 Ca 0.08 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.55 2k13 n THR 16 Cb 0.50 -0.38 -0.15 0.00 -2.10 0.00 0.00 70.33 68.19 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 0.76 4.56 -0.20 3.42 2.15 -1.26 -4.97 116.67 121.13 2k13 s ASP 17 Ca 0.00 -2.16 0.03 0.00 0.43 0.00 0.00 52.55 50.86 2k13 s ASP 17 Cb 0.00 -1.47 0.36 0.00 -0.30 0.00 0.00 42.92 41.51 2k13 s ASP 17 CO 0.00 -0.37 1.38 0.33 -0.17 0.00 0.00 175.17 176.34 2k13 n PHE 18 N 4.24 1.43 0.27 -5.34 7.35 -1.26 -4.30 117.46 119.85 2k13 n PHE 18 Ca 0.03 -0.96 0.17 0.00 -0.76 0.00 0.00 57.45 55.92 2k13 n PHE 18 Cb 0.41 -0.53 0.61 0.00 0.35 0.00 0.00 39.48 40.32 2k13 n PHE 18 CO 0.00 0.00 0.00 0.22 -0.76 0.00 0.00 176.76 176.22 2k13 h ASP 19 N 0.92 0.00 0.01 -2.13 3.58 -1.94 -3.34 116.42 113.52 2k13 h ASP 19 Ca 0.24 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.69 2k13 h ASP 19 Cb 1.77 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.82 2k13 h ASP 19 CO 0.48 0.00 0.00 0.29 -2.88 0.00 0.00 179.24 177.13 2k13 n LYS 20 N -3.10 0.01 -2.18 0.28 4.76 -1.26 -4.86 118.16 111.81 2k13 n LYS 20 Ca 0.01 0.23 -0.00 0.00 -2.87 0.00 0.00 58.31 55.68 2k13 n LYS 20 Cb 0.34 -1.50 -0.00 0.00 -1.84 0.00 0.00 35.03 32.03 2k13 n LYS 20 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2k13 n SER 21 N -1.23 -5.33 -4.52 4.39 2.88 -1.26 -4.20 113.62 104.36 2k13 n SER 21 Ca 0.00 0.81 -0.33 0.00 -1.33 0.00 0.00 58.87 58.02 2k13 n SER 21 Cb 0.00 -3.46 -0.12 0.00 -0.75 0.00 0.00 64.21 59.88 2k13 n SER 21 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 2k13 s PHE 22 N -0.91 2.85 -0.14 0.66 0.08 -1.26 -2.59 117.98 116.67 2k13 s PHE 22 Ca -0.00 -0.14 -0.07 0.00 0.12 0.00 0.00 56.93 56.83 2k13 s PHE 22 Cb 0.00 -1.72 -0.04 0.00 -0.57 0.00 0.00 43.02 40.69 2k13 s PHE 22 CO 0.44 0.19 0.13 0.21 -0.10 0.00 0.00 175.22 176.09 2k13 s LYS 23 N -0.56 3.59 -0.07 0.44 2.47 -0.49 -4.83 119.74 120.29 2k13 s LYS 23 Ca 0.08 -0.18 0.02 0.00 -1.56 0.00 0.00 55.97 54.33 2k13 s LYS 23 Cb -0.12 -3.21 0.02 0.00 -1.46 0.00 0.00 37.83 33.06 2k13 s LYS 23 CO 0.02 0.65 -0.11 -1.59 0.16 0.00 0.00 175.35 174.48 2k13 s LYS 24 N -0.68 1.60 -0.18 4.03 -2.85 -1.26 -0.57 119.74 119.84 2k13 s LYS 24 Ca 0.13 -0.37 -0.12 0.00 -1.00 0.00 0.00 55.97 54.62 2k13 s LYS 24 Cb -0.12 -1.38 0.06 0.00 -2.06 0.00 0.00 37.83 34.33 2k13 s LYS 24 CO 0.02 -0.02 0.45 -1.12 0.10 0.00 0.00 175.35 174.79 2k13 s SER 25 N 0.81 -0.56 -0.74 0.03 0.01 -1.10 -5.01 113.70 107.14 2k13 s SER 25 Ca -0.12 0.97 -0.21 0.00 1.31 0.00 0.00 55.95 57.90 2k13 s SER 25 Cb -0.15 0.88 0.09 0.00 0.21 0.00 0.00 66.02 67.05 2k13 s SER 25 CO 0.02 -0.19 0.99 -0.44 0.41 0.00 0.00 173.24 174.03 2k13 s SER 26 N 1.14 6.31 -0.21 2.44 0.01 -1.26 -4.37 113.70 117.75 2k13 s SER 26 Ca -0.07 -1.35 -0.02 0.00 1.31 0.00 0.00 55.95 55.81 2k13 s SER 26 Cb -0.07 -2.40 0.07 0.00 0.21 0.00 0.00 66.02 63.83 2k13 s SER 26 CO -0.10 -1.30 0.04 -0.62 0.41 0.00 0.00 173.24 171.67 2k13 s ASP 27 N 3.68 3.13 0.26 2.44 -1.08 -1.26 -4.98 116.67 118.86 2k13 s ASP 27 Ca 0.24 -0.96 -0.04 0.00 -0.52 0.00 0.00 52.55 51.28 2k13 s ASP 27 Cb -0.14 -0.66 0.32 0.00 -1.46 0.00 0.00 42.92 40.98 2k13 s ASP 27 CO 0.04 -0.32 1.89 -0.07 0.52 0.00 0.00 175.17 177.23 2k13 h LEU 28 N 8.21 1.02 0.08 -1.34 -0.00 -2.00 -0.31 115.31 120.96 2k13 h LEU 28 Ca -0.16 -0.08 -0.00 0.00 -0.00 0.00 0.00 57.88 57.63 2k13 h LEU 28 Cb 1.10 -0.26 0.00 0.00 -0.00 0.00 0.00 40.66 41.50 2k13 h LEU 28 CO 0.36 0.81 -0.04 0.44 -0.00 0.00 0.00 178.44 180.02 2k13 h ASP 29 N 1.15 -0.09 -0.82 -0.43 3.32 -1.95 -3.15 116.42 114.45 2k13 h ASP 29 Ca 0.29 -0.21 -0.03 0.00 0.02 0.00 0.00 57.03 57.10 2k13 h ASP 29 Cb 0.02 0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.55 2k13 h ASP 29 CO -0.05 0.16 0.39 -0.33 -1.72 0.00 0.00 179.24 177.69 2k13 h GLU 30 N -0.34 1.19 -0.72 3.56 5.08 -1.90 -1.36 114.58 120.08 2k13 h GLU 30 Ca -0.01 -0.18 0.05 0.00 -1.00 0.00 0.00 59.36 58.22 2k13 h GLU 30 Cb 0.29 -0.21 -0.05 0.00 0.50 0.00 0.00 28.75 29.28 2k13 h GLU 30 CO 0.02 0.92 0.43 0.00 -1.00 0.00 0.00 179.01 179.37 2k13 h LYS 32 N 0.80 0.52 -0.40 0.00 6.56 -1.37 0.31 116.57 122.98 2k13 h LYS 32 Ca 0.31 -0.12 -0.01 0.00 -1.06 0.00 0.00 60.65 59.78 2k13 h LYS 32 Cb 0.14 -0.07 -0.02 0.00 -0.57 0.00 0.00 32.23 31.71 2k13 h LYS 32 CO -0.16 0.57 0.23 1.57 -2.06 0.00 0.00 179.45 179.59 2k13 h LYS 33 N 0.37 0.56 -0.56 3.15 2.10 -0.65 -0.32 116.57 121.22 2k13 h LYS 33 Ca 0.10 -0.06 -0.02 0.00 -2.00 0.00 0.00 60.65 58.67 2k13 h LYS 33 Cb 0.27 -0.11 -0.03 0.00 -0.90 0.00 0.00 32.23 31.47 2k13 h LYS 33 CO -0.00 0.44 0.28 1.15 -2.00 0.00 0.00 179.45 179.32 2k13 h THR 34 N 0.52 1.20 -0.81 0.07 2.02 0.28 0.07 112.91 116.26 2k13 h THR 34 Ca 0.14 -0.55 -0.01 0.00 0.77 0.00 0.00 66.41 66.77 2k13 h THR 34 Cb 0.04 0.54 -0.04 0.00 -1.74 0.00 0.00 68.15 66.95 2k13 h THR 34 CO -0.02 0.22 0.49 0.00 0.37 0.00 0.00 175.52 176.57 2k13 h PHE 36 N 1.11 0.87 0.48 0.00 0.04 -0.51 -3.34 116.94 115.59 2k13 h PHE 36 Ca 0.29 -0.11 -0.02 0.00 2.80 0.00 0.00 57.97 60.93 2k13 h PHE 36 Cb -0.04 -0.24 0.00 0.00 2.20 0.00 0.00 35.95 37.87 2k13 h PHE 36 CO -0.00 0.77 -0.23 0.87 -0.60 0.00 0.00 178.31 179.12 2k13 h LYS 37 N 0.78 -0.62 0.00 1.51 1.57 -0.02 -3.47 116.57 116.32 2k13 h LYS 37 Ca 0.16 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 2k13 h LYS 37 Cb 0.40 0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.85 2k13 h LYS 37 CO 0.01 -0.34 0.00 2.41 -0.57 0.00 0.00 179.45 180.96 2k13 n THR 38 N -5.30 0.00 -0.06 -0.16 -1.04 -0.94 -5.01 114.28 101.78 2k13 n THR 38 Ca -0.11 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 61.88 2k13 n THR 38 Cb 0.30 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 68.81 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 3.07 -1.90 -3.43 114.58 109.46 2k13 h GLU 39 Ca 0.00 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.80 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 0.00 -0.26 1.88 -1.40 0.00 0.00 179.01 179.23 2k13 h TYR 40 N -0.99 0.07 -0.54 4.33 0.05 -1.86 -3.39 116.97 114.65 2k13 h TYR 40 Ca 0.00 -0.01 -0.37 0.00 0.05 0.00 0.00 58.73 58.40 2k13 h TYR 40 Cb 0.16 -0.02 -0.05 0.00 1.01 0.00 0.00 36.73 37.83 2k13 h TYR 40 CO -0.07 0.32 1.16 0.00 -1.05 0.00 0.00 178.16 178.52 2k13 n TYR 42 N 13.68 0.00 -4.04 0.00 0.18 -1.25 -4.37 117.16 121.37 2k13 n TYR 42 Ca 0.45 -0.23 -0.13 0.00 1.88 0.00 0.00 57.90 59.86 2k13 n TYR 42 Cb 0.47 -0.02 -0.13 0.00 -0.38 0.00 0.00 39.34 39.27 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 -0.47 0.29 0.03 -3.48 1.01 -1.26 -0.55 121.20 116.76 2k13 s ILE 43 Ca 0.01 -0.44 0.02 0.00 0.00 0.00 0.00 60.65 60.24 2k13 s ILE 43 Cb 0.01 -0.30 -0.02 0.00 0.01 0.00 0.00 42.46 42.16 2k13 s ILE 43 CO 0.00 -0.10 -0.07 -0.69 0.00 0.00 0.00 174.94 174.08 2k13 s VAL 44 N -0.54 0.49 -0.08 2.92 1.01 -1.02 -0.41 120.40 122.78 2k13 s VAL 44 Ca -0.03 -0.86 0.03 0.00 0.00 0.00 0.00 61.98 61.12 2k13 s VAL 44 Cb -0.04 -0.53 0.00 0.00 0.00 0.00 0.00 36.38 35.81 2k13 s VAL 44 CO -0.00 -0.26 -0.19 -0.36 0.00 0.00 0.00 175.10 174.29 2k13 s PHE 45 N -1.07 2.05 -0.12 5.22 0.40 0.96 -2.50 117.98 122.92 2k13 s PHE 45 Ca -0.07 -0.78 0.01 0.00 -0.60 0.00 0.00 56.93 55.50 2k13 s PHE 45 Cb -0.08 -1.40 0.02 0.00 0.51 0.00 0.00 43.02 42.06 2k13 s PHE 45 CO 0.00 -0.33 -0.16 -1.21 0.70 0.00 0.00 175.22 174.23 2k13 s GLU 46 N 0.40 2.31 -0.23 0.44 2.02 -1.00 -0.44 118.70 122.21 2k13 s GLU 46 Ca -0.15 -0.59 -0.11 0.00 0.02 0.00 0.00 54.97 54.14 2k13 s GLU 46 Cb -0.16 -1.99 -0.05 0.00 0.10 0.00 0.00 34.13 32.03 2k13 s GLU 46 CO 0.06 -0.09 0.19 0.34 0.02 0.00 0.00 175.26 175.77 2k13 s ASP 47 N 1.07 6.18 0.05 -0.19 -1.08 0.07 -0.63 116.67 122.14 2k13 s ASP 47 Ca -0.04 0.19 0.21 0.00 -0.52 0.00 0.00 52.55 52.38 2k13 s ASP 47 Cb -0.15 -2.12 -0.18 0.00 -1.46 0.00 0.00 42.92 39.02 2k13 s ASP 47 CO -0.04 0.07 0.70 0.41 0.52 0.00 0.00 175.17 176.83 2k13 n THR 48 N 4.16 0.53 0.02 1.71 -1.04 -0.81 -1.74 114.28 117.11 2k13 n THR 48 Ca -0.14 -0.58 -0.19 0.00 -2.04 0.00 0.00 64.05 61.10 2k13 n THR 48 Cb 0.52 -0.28 -0.14 0.00 -1.82 0.00 0.00 70.33 68.61 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 1.56 0.00 12.58 2.07 -1.93 -3.25 116.25 127.27 2k13 h VAL 49 Ca -0.07 -2.45 0.00 0.00 0.82 0.00 0.00 66.70 65.00 2k13 h VAL 49 Cb 1.20 3.17 0.00 0.00 -1.52 0.00 0.00 31.29 34.14 2k13 h VAL 49 CO 0.01 0.68 -0.62 0.78 0.02 0.00 0.00 177.57 178.45 2k13 h ASN 50 N -0.46 0.00 -5.93 0.57 2.35 -1.88 -3.48 115.58 106.75 2k13 h ASN 50 Ca -0.11 -0.13 -0.26 0.00 -0.55 0.00 0.00 56.30 55.25 2k13 h ASN 50 Cb 1.49 0.00 0.04 0.00 0.05 0.00 0.00 38.32 39.90 2k13 h ASN 50 CO 0.12 0.07 -0.60 0.29 -1.65 0.00 0.00 177.43 175.66 2k13 n LYS 51 N -2.33 -1.44 -4.20 0.81 5.02 -1.00 -5.04 118.16 109.99 2k13 n LYS 51 Ca 0.03 0.98 -0.12 0.00 -2.02 0.00 0.00 58.31 57.18 2k13 n LYS 51 Cb 0.47 -4.51 -0.10 0.00 -0.02 0.00 0.00 35.03 30.87 2k13 n LYS 51 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2k13 s GLU 52 N -4.40 0.95 -0.09 1.97 2.02 -0.71 -4.94 118.70 113.49 2k13 s GLU 52 Ca 0.17 -1.42 0.01 0.00 0.02 0.00 0.00 54.97 53.76 2k13 s GLU 52 Cb -0.05 -0.23 0.02 0.00 0.10 0.00 0.00 34.13 33.97 2k13 s GLU 52 CO 0.81 -0.06 -0.09 0.00 0.02 0.00 0.00 175.26 175.94 2k13 s TYR 54 N 1.33 2.50 -0.13 0.00 1.51 0.42 -2.70 117.35 120.29 2k13 s TYR 54 Ca -0.02 -1.14 -0.01 0.00 -1.01 0.00 0.00 57.07 54.89 2k13 s TYR 54 Cb -0.14 -1.70 -0.02 0.00 -0.11 0.00 0.00 41.96 39.99 2k13 s TYR 54 CO -0.04 -0.50 -0.09 1.52 -1.11 0.00 0.00 175.55 175.32 2k13 s TYR 55 N 0.62 2.89 -0.27 2.71 -0.85 0.27 -0.03 117.35 122.69 2k13 s TYR 55 Ca -0.13 -0.43 -0.29 0.00 -0.52 0.00 0.00 57.07 55.70 2k13 s TYR 55 Cb -0.17 -1.85 -0.02 0.00 0.38 0.00 0.00 41.96 40.30 2k13 s TYR 55 CO 0.03 -0.07 1.56 1.21 -1.52 0.00 0.00 175.55 176.76 2k13 s ASN 56 N 0.17 6.36 0.00 -0.18 2.47 0.45 -1.39 114.94 122.82 2k13 s ASN 56 Ca -0.05 1.42 0.13 0.00 0.42 0.00 0.00 52.86 54.78 2k13 s ASN 56 Cb -0.15 -2.53 0.06 0.00 -1.45 0.00 0.00 41.25 37.19 2k13 s ASN 56 CO 0.04 -1.30 0.84 1.33 -3.72 0.00 0.00 177.10 174.29 2k13 n VAL 57 N 6.58 0.00 -4.07 -5.21 0.24 -1.07 -3.49 118.33 111.31 2k13 n VAL 57 Ca 0.18 -0.45 -0.03 0.00 -2.04 0.00 0.00 64.34 62.00 2k13 n VAL 57 Cb 0.46 1.23 -0.01 0.00 -1.47 0.00 0.00 33.84 34.05 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 0.39 0.00 -1.67 3.34 0.31 -1.25 -4.51 118.33 114.94 2k13 n VAL 58 Ca 0.07 -0.23 -0.51 0.00 -0.01 0.00 0.00 64.34 63.66 2k13 n VAL 58 Cb 0.30 0.05 -0.06 0.00 -0.91 0.00 0.00 33.84 33.23 2k13 n VAL 58 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 2k13 n ASP 59 N -1.24 3.07 0.00 4.52 5.75 -1.26 -4.61 116.55 122.78 2k13 n ASP 59 Ca -0.02 0.93 0.00 0.00 -0.01 0.00 0.00 54.79 55.69 2k13 n ASP 59 Cb 0.06 -1.31 0.00 0.00 -1.03 0.00 0.00 41.12 38.84 2k13 n ASP 59 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k13 n GLY 60 N 4.60 0.00 0.27 6.12 0.00 -1.26 -4.65 105.19 110.27 2k13 n GLY 60 Ca 0.26 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.45 2k13 n GLY 60 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2k13 h GLU 61 N 0.00 0.00 0.00 1.61 5.08 -1.89 0.43 114.58 119.80 2k13 h GLU 61 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2k13 h GLU 61 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2k13 h GLU 61 CO 0.00 0.00 0.00 0.93 -1.00 0.00 0.00 179.01 178.94 2k13 h GLU 62 N 0.00 0.00 -6.20 2.33 3.07 -1.97 -3.37 114.58 108.44 2k13 h GLU 62 Ca 0.00 0.00 -0.59 0.00 -0.50 0.00 0.00 59.36 58.27 2k13 h GLU 62 Cb 0.43 0.00 -0.10 0.00 -0.84 0.00 0.00 28.75 28.24 2k13 h GLU 62 CO 0.00 0.00 0.72 -0.51 -1.40 0.00 0.00 179.01 177.82 2k13 s LEU 63 N -5.41 3.85 -0.15 1.33 1.43 0.15 -5.01 118.68 114.87 2k13 s LEU 63 Ca -0.00 -0.06 -0.15 0.00 -1.03 0.00 0.00 54.13 52.89 2k13 s LEU 63 Cb 0.09 -3.06 -0.05 0.00 0.03 0.00 0.00 46.19 43.21 2k13 s LEU 63 CO 0.40 -1.27 0.34 -0.62 0.23 0.00 0.00 176.35 175.43 2k13 s ASP 64 N 2.73 6.50 0.25 2.29 2.15 -1.26 -4.98 116.67 124.35 2k13 s ASP 64 Ca 0.37 0.58 -0.03 0.00 0.43 0.00 0.00 52.55 53.91 2k13 s ASP 64 Cb -0.10 -2.21 0.49 0.00 -0.30 0.00 0.00 42.92 40.80 2k13 s ASP 64 CO 0.24 0.08 1.76 -0.61 -0.17 0.00 0.00 175.17 176.46 2k13 h GLN 65 N 6.67 0.56 0.00 4.34 4.15 -1.95 -0.93 115.11 127.95 2k13 h GLN 65 Ca -0.41 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 58.97 2k13 h GLN 65 Cb 1.17 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.73 2k13 h GLN 65 CO 0.76 0.37 0.00 0.93 -1.93 0.00 0.00 178.83 178.95 2k13 h GLU 66 N 0.57 0.00 -0.53 1.69 3.07 -2.04 -3.00 114.58 114.35 2k13 h GLU 66 Ca 0.44 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.30 2k13 h GLU 66 Cb 0.61 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.52 2k13 h GLU 66 CO -0.36 0.00 0.00 1.63 -1.40 0.00 0.00 179.01 178.88 2k13 n LYS 67 N -2.89 2.39 -3.13 2.33 4.01 -0.36 -4.81 118.16 115.71 2k13 n LYS 67 Ca 0.04 -1.63 -0.33 0.00 -0.51 0.00 0.00 58.31 55.88 2k13 n LYS 67 Cb 0.48 -1.52 -0.06 0.00 -0.51 0.00 0.00 35.03 33.42 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 -1.61 3.45 0.36 2.13 0.40 -1.13 -4.66 117.98 116.91 2k13 s PHE 68 Ca 0.30 1.26 0.09 0.00 -0.60 0.00 0.00 56.93 57.98 2k13 s PHE 68 Cb 0.18 -2.56 -0.06 0.00 0.51 0.00 0.00 43.02 41.09 2k13 s PHE 68 CO 0.16 0.16 -0.03 0.08 0.70 0.00 0.00 175.22 176.29 2k13 s VAL 69 N -1.85 2.32 -0.34 -0.44 1.01 -0.92 -4.85 120.40 115.32 2k13 s VAL 69 Ca 0.51 -2.08 -0.16 0.00 0.00 0.00 0.00 61.98 60.25 2k13 s VAL 69 Cb -0.12 -2.77 -0.01 0.00 0.00 0.00 0.00 36.38 33.48 2k13 s VAL 69 CO 0.18 -0.16 0.43 -0.69 0.00 0.00 0.00 175.10 174.87 2k13 s VAL 70 N -2.60 5.10 -0.53 2.92 1.01 -1.26 0.18 120.40 125.23 2k13 s VAL 70 Ca 0.34 0.18 0.04 0.00 0.00 0.00 0.00 61.98 62.54 2k13 s VAL 70 Cb 0.03 -3.88 0.13 0.00 0.00 0.00 0.00 36.38 32.66 2k13 s VAL 70 CO 0.18 -0.14 0.27 -0.62 0.00 0.00 0.00 175.10 174.78 2k13 s ASP 71 N 1.74 4.32 0.00 3.32 2.15 -1.26 -4.73 116.67 122.21 2k13 s ASP 71 Ca 0.15 -3.04 0.08 0.00 0.43 0.00 0.00 52.55 50.17 2k13 s ASP 71 Cb -0.16 -1.63 0.49 0.00 -0.30 0.00 0.00 42.92 41.32 2k13 s ASP 71 CO 0.12 -0.23 1.02 -1.84 -0.17 0.00 0.00 175.17 174.08 2k13 n GLU 72 N 3.07 0.64 0.21 4.34 0.28 -1.26 -3.08 120.64 124.83 2k13 n GLU 72 Ca 0.06 0.00 0.09 0.00 -0.16 0.00 0.00 57.16 57.15 2k13 n GLU 72 Cb 0.32 -1.20 0.30 0.00 1.43 0.00 0.00 31.44 32.29 2k13 n GLU 72 CO 0.00 0.00 0.00 -2.95 -0.16 0.00 0.00 177.13 174.02 2k13 h ASN 73 N 0.00 0.00 -1.46 -1.84 7.08 -1.94 -3.46 115.58 113.95 2k13 h ASN 73 Ca 0.00 0.00 -0.56 0.00 -3.08 0.00 0.00 56.30 52.66 2k13 h ASN 73 Cb 0.00 0.00 -0.08 0.00 -2.08 0.00 0.00 38.32 36.16 2k13 h ASN 73 CO 0.00 0.22 -0.47 -0.36 -2.08 0.00 0.00 177.43 174.74 2k13 s PHE 74 N -3.35 2.51 -0.09 4.14 0.08 -1.18 -1.93 117.98 118.16 2k13 s PHE 74 Ca 0.03 -0.61 0.04 0.00 0.12 0.00 0.00 56.93 56.51 2k13 s PHE 74 Cb 0.08 -1.97 -0.01 0.00 -0.57 0.00 0.00 43.02 40.55 2k13 s PHE 74 CO 0.66 0.10 -0.21 0.99 -0.10 0.00 0.00 175.22 176.67 2k13 s THR 75 N -2.61 2.41 -0.16 0.64 2.01 0.19 -3.57 115.64 114.55 2k13 s THR 75 Ca 0.40 -0.91 0.02 0.00 0.31 0.00 0.00 61.69 61.50 2k13 s THR 75 Cb 0.03 -1.94 0.01 0.00 0.01 0.00 0.00 72.50 70.61 2k13 s THR 75 CO 0.22 0.56 -0.20 -1.83 -0.69 0.00 0.00 174.62 172.68 2k13 s GLU 76 N 0.08 3.05 0.03 4.92 4.04 -1.23 -2.37 118.70 127.22 2k13 s GLU 76 Ca -0.09 -0.83 0.02 0.00 0.04 0.00 0.00 54.97 54.11 2k13 s GLU 76 Cb -0.15 -2.52 -0.02 0.00 0.02 0.00 0.00 34.13 31.46 2k13 s GLU 76 CO 0.06 -0.08 -0.06 0.54 -1.84 0.00 0.00 175.26 173.87 2k13 s ASN 77 N 0.99 0.72 -0.03 0.83 2.20 -1.04 -3.70 114.94 114.91 2k13 s ASN 77 Ca -0.03 -0.40 0.03 0.00 -0.94 0.00 0.00 52.86 51.52 2k13 s ASN 77 Cb -0.15 0.01 -0.00 0.00 -2.00 0.00 0.00 41.25 39.11 2k13 s ASN 77 CO -0.05 -0.13 -0.12 -0.47 -2.94 0.00 0.00 177.10 173.38 2k13 s TYR 78 N -1.00 1.22 -0.24 1.54 6.14 -0.77 -2.43 117.35 121.81 2k13 s TYR 78 Ca -0.07 -0.30 0.03 0.00 0.64 0.00 0.00 57.07 57.37 2k13 s TYR 78 Cb -0.08 -0.83 0.05 0.00 0.42 0.00 0.00 41.96 41.53 2k13 s TYR 78 CO 0.00 -0.10 -0.13 -1.17 0.64 0.00 0.00 175.55 174.80 2k13 s LEU 79 N 0.01 3.18 -0.24 6.97 2.96 0.28 -0.24 118.68 131.60 2k13 s LEU 79 Ca -0.01 -1.25 -0.00 0.00 -0.22 0.00 0.00 54.13 52.65 2k13 s LEU 79 Cb -0.08 -1.53 0.07 0.00 0.50 0.00 0.00 46.19 45.14 2k13 s LEU 79 CO 0.01 -0.15 0.01 0.28 -1.32 0.00 0.00 176.35 175.17 2k13 s THR 80 N 1.14 1.16 -0.30 3.68 -1.32 -1.26 -4.83 115.64 113.91 2k13 s THR 80 Ca -0.06 -1.14 -0.01 0.00 -1.21 0.00 0.00 61.69 59.28 2k13 s THR 80 Cb -0.19 -1.61 0.00 0.00 -1.51 0.00 0.00 72.50 69.20 2k13 s THR 80 CO -0.07 -0.28 0.01 -0.67 -2.21 0.00 0.00 174.62 171.41 2k13 n ASP 81 N 4.79 -7.66 0.12 8.08 2.03 -1.26 -4.97 116.55 117.68 2k13 n ASP 81 Ca -0.08 1.43 0.00 0.00 0.52 0.00 0.00 54.79 56.66 2k13 n ASP 81 Cb 0.44 -5.30 0.00 0.00 -0.72 0.00 0.00 41.12 35.54 2k13 n ASP 81 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k13 n GLU 83 N -3.33 -1.61 0.00 0.00 1.02 -1.26 -4.75 120.64 110.71 2k13 n GLU 83 Ca 0.00 1.14 0.00 0.00 -0.02 0.00 0.00 57.16 58.28 2k13 n GLU 83 Cb 0.00 -1.73 0.00 0.00 -0.02 0.00 0.00 31.44 29.69 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 -0.33 0.00 3.57 0.62 0.00 -1.26 -5.04 105.19 102.75 2k13 n GLY 84 Ca -0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 2k13 n GLY 84 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k13 s LYS 85 N 0.00 3.12 0.01 1.61 2.36 -1.26 -1.80 119.74 123.77 2k13 s LYS 85 Ca 0.00 -1.25 0.00 0.00 -2.55 0.00 0.00 55.97 52.17 2k13 s LYS 85 Cb 0.00 -5.32 0.00 0.00 -1.05 0.00 0.00 37.83 31.46 2k13 s LYS 85 CO 0.00 -3.09 0.00 -3.47 1.55 0.00 0.00 175.35 170.34 2k13 n ASP 86 N 11.69 -0.07 -0.05 1.43 -0.08 -1.26 -4.83 116.55 123.38 2k13 n ASP 86 Ca 0.43 0.02 -0.13 0.00 -1.51 0.00 0.00 54.79 53.60 2k13 n ASP 86 Cb 0.47 0.53 -0.11 0.00 2.34 0.00 0.00 41.12 44.35 2k13 n ASP 86 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2k13 h ALA 87 N 0.00 -0.01 -2.60 -1.67 0.00 -1.78 -3.44 119.26 109.77 2k13 h ALA 87 Ca 0.00 -0.40 -0.48 0.00 0.00 0.00 0.00 54.91 54.03 2k13 h ALA 87 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2k13 h ALA 87 CO 0.00 -0.08 0.38 0.20 0.00 0.00 0.00 179.25 179.75 2k13 s GLY 88 N -3.87 2.91 0.00 0.00 0.00 -0.95 -4.96 107.32 100.45 2k13 s GLY 88 Ca -0.17 0.65 0.07 0.00 0.00 0.00 0.00 44.72 45.26 2k13 s GLY 88 CO 0.65 1.15 0.67 1.16 0.00 0.00 0.00 173.10 176.73 2k13 n ASN 89 N 0.78 1.45 -4.74 1.64 0.23 -1.26 -4.38 115.26 108.98 2k13 n ASN 89 Ca 0.01 -1.23 -0.41 0.00 -0.53 0.00 0.00 54.58 52.42 2k13 n ASN 89 Cb 0.48 0.09 -0.03 0.00 -2.08 0.00 0.00 39.78 38.25 2k13 n ASN 89 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2k13 s ALA 90 N -0.66 3.58 -0.16 -2.53 0.00 -1.26 -5.00 121.76 115.73 2k13 s ALA 90 Ca 0.07 1.21 -0.15 0.00 0.00 0.00 0.00 51.96 53.09 2k13 s ALA 90 Cb 0.06 -3.52 -0.04 0.00 0.00 0.00 0.00 23.12 19.61 2k13 s ALA 90 CO 0.10 -0.63 0.35 0.00 0.00 0.00 0.00 175.76 175.58 2k13 s ALA 91 N 0.21 3.56 -0.28 0.00 0.00 -1.26 -4.42 121.76 119.57 2k13 s ALA 91 Ca 0.59 -0.43 0.15 0.00 0.00 0.00 0.00 51.96 52.28 2k13 s ALA 91 Cb -0.39 -2.50 0.42 0.00 0.00 0.00 0.00 23.12 20.65 2k13 s ALA 91 CO 0.39 -0.03 1.32 0.41 0.00 0.00 0.00 175.76 177.85 2k13 n GLY 92 N 3.52 3.95 3.78 0.00 0.00 -1.26 -4.88 105.19 110.29 2k13 n GLY 92 Ca -0.10 -0.90 -0.30 0.00 0.00 0.00 0.00 46.02 44.72 2k13 n GLY 92 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k13 s THR 93 N -2.45 4.55 -2.25 2.61 -4.23 -1.26 -4.29 115.64 108.32 2k13 s THR 93 Ca 0.35 -0.78 0.27 0.00 -1.18 0.00 0.00 61.69 60.35 2k13 s THR 93 Cb 0.28 -3.20 0.40 0.00 1.34 0.00 0.00 72.50 71.32 2k13 s THR 93 CO 0.08 0.11 1.62 0.61 -0.54 0.00 0.00 174.62 176.51 2k13 n GLY 94 N 0.40 -0.15 0.00 3.99 0.00 -1.26 -4.35 105.19 103.83 2k13 n GLY 94 Ca -0.08 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.48 2k13 n GLY 94 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2k13 n ASP 95 N -0.05 0.00 -1.29 1.61 2.03 -1.26 -4.80 116.55 112.79 2k13 n ASP 95 Ca 0.16 0.00 0.08 0.00 0.52 0.00 0.00 54.79 55.55 2k13 n ASP 95 Cb 0.37 -0.25 0.29 0.00 -0.72 0.00 0.00 41.12 40.81 2k13 n ASP 95 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 2k13 n GLU 96 N -1.99 3.02 -1.70 -0.67 0.00 -1.26 -4.87 120.64 113.16 2k13 n GLU 96 Ca 0.00 -2.29 -0.40 0.00 0.00 0.00 0.00 57.16 54.47 2k13 n GLU 96 Cb 0.00 -1.70 -0.03 0.00 0.00 0.00 0.00 31.44 29.71 2k13 n GLU 96 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 2k13 s SER 97 N -0.87 5.10 0.38 -1.84 0.01 -1.26 -4.91 113.70 110.31 2k13 s SER 97 Ca 0.41 1.30 0.04 0.00 1.31 0.00 0.00 55.95 59.02 2k13 s SER 97 Cb 0.25 -2.51 -0.03 0.00 0.21 0.00 0.00 66.02 63.94 2k13 s SER 97 CO 0.22 -2.34 0.15 1.51 0.41 0.00 0.00 173.24 173.19 2k13 s ASP 98 N 9.48 2.44 -0.04 2.44 -4.77 -1.26 -4.98 116.67 119.98 2k13 s ASP 98 Ca 0.92 -1.65 -0.01 0.00 -3.30 0.00 0.00 52.55 48.51 2k13 s ASP 98 Cb -0.23 0.47 -0.02 0.00 -1.09 0.00 0.00 42.92 42.05 2k13 s ASP 98 CO 0.30 -0.93 -0.04 -0.62 0.70 0.00 0.00 175.17 174.58 2k13 n GLU 99 N -0.82 0.08 -3.43 2.11 1.02 -1.26 -4.89 120.64 113.46 2k13 n GLU 99 Ca -0.03 0.03 -0.27 0.00 -0.02 0.00 0.00 57.16 56.87 2k13 n GLU 99 Cb 0.65 -0.84 -0.08 0.00 -0.02 0.00 0.00 31.44 31.15 2k13 n GLU 99 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 2k13 n VAL 100 N -2.91 1.96 -2.67 2.62 0.24 -1.26 -5.00 118.33 111.31 2k13 n VAL 100 Ca -0.07 -5.05 -0.04 0.00 -2.04 0.00 0.00 64.34 57.14 2k13 n VAL 100 Cb 0.56 -2.09 -0.03 0.00 -1.47 0.00 0.00 33.84 30.81 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 1.01 -2.59 0.00 -1.34 2.03 -1.26 -4.08 116.55 110.32 2k13 n ASP 101 Ca 0.28 1.34 0.00 0.00 0.52 0.00 0.00 54.79 56.93 2k13 n ASP 101 Cb 0.42 -5.03 0.00 0.00 -0.72 0.00 0.00 41.12 35.79 2k13 n ASP 101 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 2k13 n GLU 102 N 1.53 -0.26 -0.60 -0.67 2.13 -1.26 -5.13 120.64 116.38 2k13 n GLU 102 Ca -0.30 0.06 0.00 0.00 0.66 0.00 0.00 57.16 57.58 2k13 n GLU 102 Cb 0.48 -3.69 0.00 0.00 0.27 0.00 0.00 31.44 28.49 2k13 n GLU 102 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25