#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 4.18 -3.60 3.49 4.71 -1.26 -4.86 120.64 123.30 2k13 n GLU 2 Ca 0.00 -4.76 -0.03 0.00 -0.01 0.00 0.00 57.16 52.37 2k13 n GLU 2 Cb 0.00 -2.35 -0.05 0.00 -1.01 0.00 0.00 31.44 28.03 2k13 n GLU 2 CO 0.00 0.00 0.00 0.50 0.09 0.00 0.00 177.13 177.72 2k13 s ARG 3 N -3.73 0.53 0.20 3.49 3.52 -1.26 -5.13 118.95 116.57 2k13 s ARG 3 Ca 0.43 1.11 -0.32 0.00 -0.13 0.00 0.00 55.73 56.82 2k13 s ARG 3 Cb 0.22 0.43 -0.14 0.00 -1.56 0.00 0.00 34.95 33.90 2k13 s ARG 3 CO -0.11 -0.14 1.44 0.39 -0.81 0.00 0.00 175.30 176.06 2k13 n GLU 4 N 4.70 1.97 -0.85 5.12 4.71 -1.26 -4.97 120.64 130.06 2k13 n GLU 4 Ca -0.15 0.70 -0.30 0.00 -0.01 0.00 0.00 57.16 57.40 2k13 n GLU 4 Cb 0.54 -2.38 0.18 0.00 -1.01 0.00 0.00 31.44 28.77 2k13 n GLU 4 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 2k13 s ASP 5 N 0.46 2.65 -0.49 1.62 2.15 -1.26 -4.22 116.67 117.58 2k13 s ASP 5 Ca 0.72 1.77 -0.14 0.00 0.43 0.00 0.00 52.55 55.33 2k13 s ASP 5 Cb -0.69 -2.37 0.10 0.00 -0.30 0.00 0.00 42.92 39.66 2k13 s ASP 5 CO 0.46 -3.20 0.41 0.00 -0.17 0.00 0.00 175.17 172.68 2k13 s TRP 7 N 1.57 3.54 -0.16 0.00 0.51 -1.26 -4.21 118.94 118.93 2k13 s TRP 7 Ca 0.04 0.49 -0.07 0.00 -2.12 0.00 0.00 56.10 54.44 2k13 s TRP 7 Cb -0.26 -2.05 -0.04 0.00 -0.81 0.00 0.00 33.47 30.30 2k13 s TRP 7 CO 0.04 0.56 0.09 0.95 -0.51 0.00 0.00 176.95 178.08 2k13 s THR 8 N -0.51 5.07 -0.09 2.01 -4.23 0.65 -4.23 115.64 114.32 2k13 s THR 8 Ca 0.13 0.06 -0.13 0.00 -1.18 0.00 0.00 61.69 60.58 2k13 s THR 8 Cb -0.12 -3.26 -0.05 0.00 1.34 0.00 0.00 72.50 70.41 2k13 s THR 8 CO 0.03 0.51 0.30 0.12 -0.54 0.00 0.00 174.62 175.04 2k13 s PHE 9 N -0.13 3.60 -0.12 3.99 5.36 -1.22 -1.78 117.98 127.68 2k13 s PHE 9 Ca 0.08 0.74 -0.14 0.00 -0.96 0.00 0.00 56.93 56.65 2k13 s PHE 9 Cb -0.12 -2.23 -0.05 0.00 -0.34 0.00 0.00 43.02 40.28 2k13 s PHE 9 CO 0.01 0.51 -0.27 0.98 -1.46 0.00 0.00 175.22 174.99 2k13 n TYR 10 N 2.55 0.00 -3.63 10.12 9.36 -1.24 -5.04 117.16 129.28 2k13 n TYR 10 Ca -0.14 0.00 -0.04 0.00 3.32 0.00 0.00 57.90 61.03 2k13 n TYR 10 Cb 0.53 -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 -2.69 -1.85 -0.37 2.98 0.00 -1.26 -5.07 121.76 113.50 2k13 s ALA 11 Ca -0.22 0.67 -0.26 0.00 0.00 0.00 0.00 51.96 52.15 2k13 s ALA 11 Cb 0.03 0.43 0.02 0.00 0.00 0.00 0.00 23.12 23.60 2k13 s ALA 11 CO 0.33 -0.88 0.95 -0.80 0.00 0.00 0.00 175.76 175.36 2k13 s ASN 12 N -2.71 6.70 0.20 0.00 0.02 -1.26 -3.12 114.94 114.76 2k13 s ASN 12 Ca 0.10 0.62 -0.16 0.00 -1.02 0.00 0.00 52.86 52.40 2k13 s ASN 12 Cb -0.00 -2.48 0.02 0.00 0.02 0.00 0.00 41.25 38.81 2k13 s ASN 12 CO -0.03 -0.87 0.50 -0.13 0.02 0.00 0.00 177.10 176.58 2k13 s ARG 13 N 3.53 1.38 -0.28 -0.60 0.52 -1.22 -4.34 118.95 117.93 2k13 s ARG 13 Ca 0.39 -0.93 -0.23 0.00 -0.52 0.00 0.00 55.73 54.44 2k13 s ARG 13 Cb -0.12 0.50 0.10 0.00 0.52 0.00 0.00 34.95 35.95 2k13 s ARG 13 CO 0.19 -0.58 0.86 0.21 0.02 0.00 0.00 175.30 176.00 2k13 s LYS 14 N -3.90 0.65 -0.72 3.54 2.20 0.44 -4.21 119.74 117.75 2k13 s LYS 14 Ca 0.11 0.84 -0.22 0.00 -0.36 0.00 0.00 55.97 56.34 2k13 s LYS 14 Cb -0.01 0.28 0.08 0.00 -1.51 0.00 0.00 37.83 36.67 2k13 s LYS 14 CO -0.01 -0.09 1.04 -0.47 -0.36 0.00 0.00 175.35 175.45 2k13 s TYR 15 N 0.59 2.71 -0.06 4.03 6.14 -1.26 -2.14 117.35 127.36 2k13 s TYR 15 Ca -0.01 -0.66 -0.21 0.00 0.64 0.00 0.00 57.07 56.83 2k13 s TYR 15 Cb -0.05 -4.34 -0.25 0.00 0.42 0.00 0.00 41.96 37.74 2k13 s TYR 15 CO -0.06 -1.67 1.45 0.25 0.64 0.00 0.00 175.55 176.16 2k13 n THR 16 N 5.94 0.15 -3.84 4.34 -2.24 -1.26 -4.75 114.28 112.62 2k13 n THR 16 Ca 0.03 -0.12 -0.30 0.00 -2.27 0.00 0.00 64.05 61.40 2k13 n THR 16 Cb 0.46 -1.88 -0.16 0.00 -2.10 0.00 0.00 70.33 66.66 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 6.24 3.73 -0.07 3.42 -1.08 -1.26 -4.97 116.67 122.69 2k13 s ASP 17 Ca 0.48 -1.28 0.17 0.00 -0.52 0.00 0.00 52.55 51.41 2k13 s ASP 17 Cb 0.11 -0.99 0.62 0.00 -1.46 0.00 0.00 42.92 41.19 2k13 s ASP 17 CO 0.23 -0.31 1.51 0.49 0.52 0.00 0.00 175.17 177.61 2k13 n PHE 18 N 4.78 1.16 0.24 -5.34 3.01 -1.26 -3.95 117.46 116.10 2k13 n PHE 18 Ca -0.07 -0.49 0.14 0.00 1.01 0.00 0.00 57.45 58.03 2k13 n PHE 18 Cb 0.44 -0.15 0.33 0.00 -0.01 0.00 0.00 39.48 40.09 2k13 n PHE 18 CO 0.00 0.00 0.00 0.22 1.01 0.00 0.00 176.76 177.99 2k13 h ASP 19 N 3.68 0.00 0.00 4.37 3.58 -1.98 -3.16 116.42 122.91 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 1.16 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.21 2k13 h ASP 19 CO 0.14 0.00 0.02 0.29 -2.88 0.00 0.00 179.24 176.80 2k13 n LYS 20 N -3.08 0.13 -1.48 0.28 4.76 -1.25 -4.89 118.16 112.63 2k13 n LYS 20 Ca 0.03 0.63 0.00 0.00 -2.87 0.00 0.00 58.31 56.10 2k13 n LYS 20 Cb 0.46 -1.95 0.00 0.00 -1.84 0.00 0.00 35.03 31.70 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 -2.22 -1.97 -4.35 4.39 7.64 -1.19 -4.48 113.62 111.44 2k13 n SER 21 Ca -0.01 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.64 2k13 n SER 21 Cb 0.05 -0.98 -0.11 0.00 -1.01 0.00 0.00 64.21 62.16 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 1.89 0.02 1.43 0.08 -1.26 -2.65 117.98 117.49 2k13 s PHE 22 Ca 0.00 -0.45 0.07 0.00 0.12 0.00 0.00 56.93 56.67 2k13 s PHE 22 Cb 0.00 -0.94 -0.02 0.00 -0.57 0.00 0.00 43.02 41.49 2k13 s PHE 22 CO 0.00 0.36 -0.22 0.15 -0.10 0.00 0.00 175.22 175.41 2k13 s LYS 23 N -2.81 1.62 -0.11 0.44 1.02 -0.77 -4.92 119.74 114.21 2k13 s LYS 23 Ca 0.17 -0.91 0.03 0.00 0.02 0.00 0.00 55.97 55.28 2k13 s LYS 23 Cb -0.06 -1.68 0.01 0.00 -0.52 0.00 0.00 37.83 35.58 2k13 s LYS 23 CO 0.07 0.44 -0.21 0.21 -0.92 0.00 0.00 175.35 174.94 2k13 s LYS 24 N -0.93 2.82 -0.17 1.68 2.20 -1.26 -1.20 119.74 122.89 2k13 s LYS 24 Ca 0.09 -0.79 -0.09 0.00 -0.36 0.00 0.00 55.97 54.81 2k13 s LYS 24 Cb -0.09 -2.20 0.06 0.00 -1.51 0.00 0.00 37.83 34.09 2k13 s LYS 24 CO 0.01 0.10 0.41 -1.12 -0.36 0.00 0.00 175.35 174.38 2k13 s SER 25 N 0.54 -0.51 -0.67 1.43 0.01 -1.19 -5.04 113.70 108.27 2k13 s SER 25 Ca -0.15 0.88 -0.16 0.00 1.31 0.00 0.00 55.95 57.84 2k13 s SER 25 Cb -0.17 0.77 0.16 0.00 0.21 0.00 0.00 66.02 66.99 2k13 s SER 25 CO 0.05 -0.19 0.65 -0.44 0.41 0.00 0.00 173.24 173.72 2k13 s SER 26 N 1.33 6.43 -0.33 2.44 0.01 -1.26 -4.42 113.70 117.90 2k13 s SER 26 Ca -0.09 -2.10 -0.01 0.00 1.31 0.00 0.00 55.95 55.06 2k13 s SER 26 Cb -0.08 -2.23 0.11 0.00 0.21 0.00 0.00 66.02 64.03 2k13 s SER 26 CO -0.12 -0.79 0.13 -1.81 0.41 0.00 0.00 173.24 171.07 2k13 s ASP 27 N 3.06 3.76 0.18 2.44 1.01 -1.26 -5.02 116.67 120.84 2k13 s ASP 27 Ca 0.11 -1.73 -0.13 0.00 0.71 0.00 0.00 52.55 51.50 2k13 s ASP 27 Cb -0.21 -0.71 0.18 0.00 1.01 0.00 0.00 42.92 43.19 2k13 s ASP 27 CO -0.02 -0.39 1.72 0.25 0.21 0.00 0.00 175.17 176.94 2k13 h LEU 28 N 7.89 0.04 0.02 1.23 5.85 -1.97 0.28 115.31 128.64 2k13 h LEU 28 Ca -0.11 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 2k13 h LEU 28 Cb 1.00 0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.13 2k13 h LEU 28 CO 0.44 0.05 -0.01 0.44 -0.34 0.00 0.00 178.44 179.02 2k13 h ASP 29 N 0.26 -0.02 -0.88 1.25 5.19 -2.00 -3.14 116.42 117.07 2k13 h ASP 29 Ca 0.24 -0.12 -0.01 0.00 -0.62 0.00 0.00 57.03 56.53 2k13 h ASP 29 Cb 0.31 0.01 -0.04 0.00 0.18 0.00 0.00 39.33 39.78 2k13 h ASP 29 CO -0.30 0.10 0.53 -0.33 -3.12 0.00 0.00 179.24 176.12 2k13 h GLU 30 N -0.15 1.20 -0.93 3.56 3.07 -1.82 -2.47 114.58 117.06 2k13 h GLU 30 Ca -0.00 -0.11 0.11 0.00 -0.50 0.00 0.00 59.36 58.85 2k13 h GLU 30 Cb 0.14 -0.25 -0.08 0.00 -0.84 0.00 0.00 28.75 27.72 2k13 h GLU 30 CO 0.00 0.84 0.57 0.00 -1.40 0.00 0.00 179.01 179.02 2k13 h LYS 32 N 0.92 0.59 -0.24 0.00 6.56 -1.47 0.23 116.57 123.15 2k13 h LYS 32 Ca 0.45 -0.12 -0.00 0.00 -1.06 0.00 0.00 60.65 59.92 2k13 h LYS 32 Cb 0.41 -0.09 -0.01 0.00 -0.57 0.00 0.00 32.23 31.97 2k13 h LYS 32 CO -0.25 0.59 0.14 1.57 -2.06 0.00 0.00 179.45 179.44 2k13 h LYS 33 N 0.47 0.33 -0.67 3.15 2.10 -1.02 0.14 116.57 121.08 2k13 h LYS 33 Ca 0.13 -0.03 -0.01 0.00 -2.00 0.00 0.00 60.65 58.73 2k13 h LYS 33 Cb 0.23 -0.07 -0.03 0.00 -0.90 0.00 0.00 32.23 31.46 2k13 h LYS 33 CO -0.01 0.28 0.37 1.15 -2.00 0.00 0.00 179.45 179.24 2k13 h THR 34 N 0.30 1.21 -0.84 0.07 2.02 0.05 -0.96 112.91 114.75 2k13 h THR 34 Ca 0.09 -0.51 -0.01 0.00 0.77 0.00 0.00 66.41 66.75 2k13 h THR 34 Cb 0.03 0.32 -0.04 0.00 -1.74 0.00 0.00 68.15 66.72 2k13 h THR 34 CO -0.02 0.23 0.51 0.00 0.37 0.00 0.00 175.52 176.61 2k13 h PHE 36 N 1.16 0.81 -0.15 0.00 0.04 -0.57 -3.30 116.94 114.93 2k13 h PHE 36 Ca 0.30 -0.10 0.04 0.00 2.80 0.00 0.00 57.97 61.01 2k13 h PHE 36 Cb -0.04 -0.23 -0.04 0.00 2.20 0.00 0.00 35.95 37.84 2k13 h PHE 36 CO -0.00 0.74 -0.12 0.87 -0.60 0.00 0.00 178.31 179.19 2k13 h LYS 37 N 0.73 -0.13 0.00 1.51 1.79 -0.13 -3.43 116.57 116.91 2k13 h LYS 37 Ca 0.15 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 2k13 h LYS 37 Cb 0.40 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.08 2k13 h LYS 37 CO 0.01 -0.09 0.00 2.41 -1.08 0.00 0.00 179.45 180.71 2k13 n THR 38 N -5.27 0.00 -0.06 -0.16 -1.04 -1.11 -4.97 114.28 101.67 2k13 n THR 38 Ca -0.03 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.90 2k13 n THR 38 Cb 0.19 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.63 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 -0.08 -2.82 3.07 -1.88 -3.43 114.58 109.44 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 0.52 -0.17 1.88 -1.40 0.00 0.00 179.01 179.84 2k13 h TYR 40 N -1.00 0.13 -0.85 4.33 0.05 -1.86 -3.42 116.97 114.36 2k13 h TYR 40 Ca -0.03 -0.01 -0.40 0.00 0.05 0.00 0.00 58.73 58.34 2k13 h TYR 40 Cb 0.57 -0.04 -0.07 0.00 1.01 0.00 0.00 36.73 38.21 2k13 h TYR 40 CO 0.12 0.30 1.01 0.00 -1.05 0.00 0.00 178.16 178.53 2k13 n TYR 42 N 12.23 0.00 -4.77 0.00 0.18 -1.26 -4.54 117.16 119.01 2k13 n TYR 42 Ca 0.38 -0.29 -0.25 0.00 1.88 0.00 0.00 57.90 59.61 2k13 n TYR 42 Cb 0.48 -0.03 -0.16 0.00 -0.38 0.00 0.00 39.34 39.25 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 -0.59 1.34 0.03 -3.48 -1.09 -1.26 -1.56 121.20 114.58 2k13 s ILE 43 Ca 0.00 -0.66 0.02 0.00 -2.23 0.00 0.00 60.65 57.78 2k13 s ILE 43 Cb 0.00 -1.16 -0.02 0.00 -1.58 0.00 0.00 42.46 39.70 2k13 s ILE 43 CO 0.00 0.39 -0.07 -0.69 -1.23 0.00 0.00 174.94 173.34 2k13 s VAL 44 N 0.11 0.53 -0.06 2.92 1.01 -0.95 -0.04 120.40 123.92 2k13 s VAL 44 Ca -0.05 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.16 2k13 s VAL 44 Cb -0.12 -0.55 0.01 0.00 0.00 0.00 0.00 36.38 35.73 2k13 s VAL 44 CO 0.02 -0.20 -0.13 -0.36 0.00 0.00 0.00 175.10 174.43 2k13 s PHE 45 N -0.95 1.50 -0.01 5.22 0.08 0.76 -2.47 117.98 122.11 2k13 s PHE 45 Ca -0.06 -0.53 0.07 0.00 0.12 0.00 0.00 56.93 56.54 2k13 s PHE 45 Cb -0.07 -1.08 -0.02 0.00 -0.57 0.00 0.00 43.02 41.28 2k13 s PHE 45 CO 0.00 -0.26 -0.22 -1.21 -0.10 0.00 0.00 175.22 173.43 2k13 s GLU 46 N 0.54 1.78 -0.26 0.44 2.02 -1.03 -0.95 118.70 121.23 2k13 s GLU 46 Ca -0.13 -0.82 -0.19 0.00 0.02 0.00 0.00 54.97 53.85 2k13 s GLU 46 Cb -0.15 -1.74 -0.02 0.00 0.10 0.00 0.00 34.13 32.32 2k13 s GLU 46 CO 0.04 0.47 0.58 0.34 0.02 0.00 0.00 175.26 176.71 2k13 s ASP 47 N -0.59 6.51 0.35 -0.19 -1.08 -0.70 -0.30 116.67 120.67 2k13 s ASP 47 Ca 0.09 0.60 0.19 0.00 -0.52 0.00 0.00 52.55 52.90 2k13 s ASP 47 Cb -0.09 -2.31 0.37 0.00 -1.46 0.00 0.00 42.92 39.43 2k13 s ASP 47 CO -0.01 -0.35 1.59 0.74 0.52 0.00 0.00 175.17 177.66 2k13 h THR 48 N 5.42 0.64 0.12 1.71 2.02 -1.23 0.26 112.91 121.85 2k13 h THR 48 Ca -0.28 -1.69 -0.17 0.00 0.77 0.00 0.00 66.41 65.04 2k13 h THR 48 Cb 1.13 2.16 0.02 0.00 -1.74 0.00 0.00 68.15 69.71 2k13 h THR 48 CO 0.75 0.33 -0.75 0.58 0.37 0.00 0.00 175.52 176.81 2k13 h VAL 49 N 0.00 1.53 0.00 3.16 2.07 -1.92 -3.33 116.25 117.76 2k13 h VAL 49 Ca -0.00 -2.51 0.00 0.00 0.82 0.00 0.00 66.70 65.00 2k13 h VAL 49 Cb 1.13 3.21 0.00 0.00 -1.52 0.00 0.00 31.29 34.10 2k13 h VAL 49 CO 0.04 0.70 -1.28 0.59 0.02 0.00 0.00 177.57 177.65 2k13 n ASN 50 N -4.17 0.53 -3.08 0.57 3.02 -1.24 -4.97 115.26 105.91 2k13 n ASN 50 Ca -0.14 -0.19 -0.21 0.00 -0.03 0.00 0.00 54.58 54.02 2k13 n ASN 50 Cb 0.79 1.10 0.06 0.00 -0.61 0.00 0.00 39.78 41.12 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 -2.07 -6.45 -3.49 3.52 4.01 0.86 -5.01 118.16 109.54 2k13 n LYS 51 Ca 0.00 0.73 -0.21 0.00 -0.51 0.00 0.00 58.31 58.32 2k13 n LYS 51 Cb 0.47 -5.43 -0.01 0.00 -0.51 0.00 0.00 35.03 29.56 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 -6.03 3.26 -0.13 1.97 2.02 -0.94 -4.90 118.70 113.94 2k13 s GLU 52 Ca 0.47 -0.71 -0.00 0.00 0.02 0.00 0.00 54.97 54.74 2k13 s GLU 52 Cb -0.21 -2.76 0.02 0.00 0.10 0.00 0.00 34.13 31.29 2k13 s GLU 52 CO 0.58 0.11 -0.11 0.00 0.02 0.00 0.00 175.26 175.86 2k13 s TYR 54 N 1.58 2.51 -0.12 0.00 1.51 -0.13 -3.17 117.35 119.53 2k13 s TYR 54 Ca 0.05 -1.16 0.02 0.00 -1.01 0.00 0.00 57.07 54.96 2k13 s TYR 54 Cb -0.13 -1.71 -0.01 0.00 -0.11 0.00 0.00 41.96 40.01 2k13 s TYR 54 CO -0.09 -0.51 -0.19 1.52 -1.11 0.00 0.00 175.55 175.17 2k13 s TYR 55 N 0.64 2.69 -0.18 2.71 -0.85 -0.34 -0.17 117.35 121.85 2k13 s TYR 55 Ca -0.12 -0.89 -0.29 0.00 -0.52 0.00 0.00 57.07 55.25 2k13 s TYR 55 Cb -0.16 -1.78 -0.02 0.00 0.38 0.00 0.00 41.96 40.37 2k13 s TYR 55 CO 0.03 -0.34 1.35 1.21 -1.52 0.00 0.00 175.55 176.27 2k13 s ASN 56 N 0.40 6.81 0.00 -0.18 2.47 0.95 -1.84 114.94 123.54 2k13 s ASN 56 Ca -0.14 1.67 0.18 0.00 0.42 0.00 0.00 52.86 54.98 2k13 s ASN 56 Cb -0.17 -2.54 0.13 0.00 -1.45 0.00 0.00 41.25 37.23 2k13 s ASN 56 CO 0.07 -0.88 1.05 1.33 -3.72 0.00 0.00 177.10 174.95 2k13 n VAL 57 N 5.62 0.00 -4.18 -5.21 0.24 -1.09 -3.67 118.33 110.05 2k13 n VAL 57 Ca 0.15 -0.49 -0.14 0.00 -2.04 0.00 0.00 64.34 61.82 2k13 n VAL 57 Cb 0.45 1.36 -0.02 0.00 -1.47 0.00 0.00 33.84 34.16 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 0.95 0.00 -1.97 3.34 0.31 -1.25 -4.63 118.33 115.07 2k13 n VAL 58 Ca 0.10 -1.04 -0.42 0.00 -0.01 0.00 0.00 64.34 62.97 2k13 n VAL 58 Cb 0.44 0.09 -0.03 0.00 -0.91 0.00 0.00 33.84 33.44 2k13 n VAL 58 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2k13 s ASP 59 N -2.29 5.77 0.00 4.52 -1.08 -1.26 -4.62 116.67 117.71 2k13 s ASP 59 Ca 0.03 1.24 0.17 0.00 -0.52 0.00 0.00 52.55 53.48 2k13 s ASP 59 Cb -0.00 -2.52 0.44 0.00 -1.46 0.00 0.00 42.92 39.37 2k13 s ASP 59 CO 0.02 -1.82 1.36 0.61 0.52 0.00 0.00 175.17 175.86 2k13 n GLY 60 N 5.48 2.30 0.17 2.66 0.00 -1.26 -3.82 105.19 110.72 2k13 n GLY 60 Ca 0.23 -0.59 -0.00 0.00 0.00 0.00 0.00 46.02 45.66 2k13 n GLY 60 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2k13 h GLU 61 N 3.29 0.06 0.00 1.61 4.57 -1.92 -0.33 114.58 121.87 2k13 h GLU 61 Ca 0.00 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 2k13 h GLU 61 Cb 0.85 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.45 2k13 h GLU 61 CO 0.00 0.54 0.00 0.93 -1.18 0.00 0.00 179.01 179.30 2k13 h GLU 62 N 0.05 0.00 -6.10 1.92 4.39 -1.97 -3.37 114.58 109.50 2k13 h GLU 62 Ca -0.00 0.00 -0.58 0.00 0.34 0.00 0.00 59.36 59.12 2k13 h GLU 62 Cb 0.88 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 29.43 2k13 h GLU 62 CO 0.07 0.00 0.78 -0.51 -1.16 0.00 0.00 179.01 178.19 2k13 s LEU 63 N -5.34 3.76 -0.41 1.33 1.43 -0.14 -4.95 118.68 114.36 2k13 s LEU 63 Ca -0.01 -0.34 -0.20 0.00 -1.03 0.00 0.00 54.13 52.55 2k13 s LEU 63 Cb 0.09 -2.81 0.02 0.00 0.03 0.00 0.00 46.19 43.53 2k13 s LEU 63 CO 0.37 -1.46 0.62 -0.62 0.23 0.00 0.00 176.35 175.48 2k13 s ASP 64 N 3.19 6.33 0.26 2.29 -1.08 -1.26 -4.94 116.67 121.46 2k13 s ASP 64 Ca 0.34 -0.23 -0.01 0.00 -0.52 0.00 0.00 52.55 52.12 2k13 s ASP 64 Cb -0.11 -2.31 0.53 0.00 -1.46 0.00 0.00 42.92 39.57 2k13 s ASP 64 CO 0.19 -0.70 1.75 -0.61 0.52 0.00 0.00 175.17 176.32 2k13 h GLN 65 N 8.75 0.55 0.00 4.34 4.15 -1.92 -1.60 115.11 129.37 2k13 h GLN 65 Ca -0.26 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.13 2k13 h GLN 65 Cb 1.10 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.67 2k13 h GLN 65 CO 0.86 0.36 0.00 0.93 -1.93 0.00 0.00 178.83 179.06 2k13 h GLU 66 N 0.56 0.00 -0.65 1.69 3.07 -2.03 -3.08 114.58 114.14 2k13 h GLU 66 Ca 0.46 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.32 2k13 h GLU 66 Cb 0.68 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.59 2k13 h GLU 66 CO -0.38 0.00 0.00 1.63 -1.40 0.00 0.00 179.01 178.86 2k13 n LYS 67 N -3.02 3.30 -2.78 2.33 4.01 -0.61 -4.89 118.16 116.50 2k13 n LYS 67 Ca 0.04 -2.55 -0.34 0.00 -0.51 0.00 0.00 58.31 54.95 2k13 n LYS 67 Cb 0.48 -1.78 -0.06 0.00 -0.51 0.00 0.00 35.03 33.16 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 -1.68 3.33 0.28 2.13 0.40 -1.17 -4.79 117.98 116.48 2k13 s PHE 68 Ca 0.46 1.63 0.10 0.00 -0.60 0.00 0.00 56.93 58.53 2k13 s PHE 68 Cb 0.29 -2.89 -0.05 0.00 0.51 0.00 0.00 43.02 40.88 2k13 s PHE 68 CO 0.24 -0.16 -0.08 0.08 0.70 0.00 0.00 175.22 176.00 2k13 s VAL 69 N -2.07 2.93 -0.37 -0.44 1.01 -0.91 -4.76 120.40 115.79 2k13 s VAL 69 Ca 0.61 -2.12 -0.28 0.00 0.00 0.00 0.00 61.98 60.19 2k13 s VAL 69 Cb -0.11 -2.63 0.02 0.00 0.00 0.00 0.00 36.38 33.66 2k13 s VAL 69 CO 0.16 -0.35 1.03 0.54 0.00 0.00 0.00 175.10 176.48 2k13 s VAL 70 N -2.43 4.47 -0.33 2.92 0.11 -1.26 0.17 120.40 124.04 2k13 s VAL 70 Ca 0.31 1.43 -0.06 0.00 -2.93 0.00 0.00 61.98 60.74 2k13 s VAL 70 Cb -0.05 -4.43 0.04 0.00 -1.53 0.00 0.00 36.38 30.42 2k13 s VAL 70 CO 0.18 -0.61 0.09 -0.62 -3.33 0.00 0.00 175.10 170.81 2k13 s ASP 71 N 1.91 5.27 0.13 3.54 -1.08 -1.26 -4.78 116.67 120.40 2k13 s ASP 71 Ca 0.43 -1.14 0.10 0.00 -0.52 0.00 0.00 52.55 51.42 2k13 s ASP 71 Cb -0.11 -1.85 -0.15 0.00 -1.46 0.00 0.00 42.92 39.34 2k13 s ASP 71 CO 0.20 -0.32 1.23 -0.08 0.52 0.00 0.00 175.17 176.72 2k13 h GLU 72 N 8.20 0.00 0.00 4.34 4.81 -1.93 -3.25 114.58 126.76 2k13 h GLU 72 Ca -0.23 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.00 2k13 h GLU 72 Cb 1.08 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.46 2k13 h GLU 72 CO 0.60 0.82 0.00 -2.95 -0.73 0.00 0.00 179.01 176.74 2k13 h ASN 73 N 0.00 0.00 -1.93 1.04 -0.00 -1.95 -3.44 115.58 109.30 2k13 h ASN 73 Ca -0.04 0.00 -0.61 0.00 -0.00 0.00 0.00 56.30 55.65 2k13 h ASN 73 Cb 1.71 0.00 -0.13 0.00 -0.00 0.00 0.00 38.32 39.90 2k13 h ASN 73 CO 0.11 0.00 -0.64 -0.36 -0.00 0.00 0.00 177.43 176.54 2k13 s PHE 74 N -3.42 2.41 -0.04 4.14 0.40 -1.25 -0.70 117.98 119.52 2k13 s PHE 74 Ca 0.03 -0.62 0.06 0.00 -0.60 0.00 0.00 56.93 55.81 2k13 s PHE 74 Cb 0.09 -1.56 -0.02 0.00 0.51 0.00 0.00 43.02 42.05 2k13 s PHE 74 CO 0.45 0.47 -0.22 0.95 0.70 0.00 0.00 175.22 177.57 2k13 s THR 75 N -2.72 2.39 -0.19 0.64 -4.23 0.59 -4.17 115.64 107.96 2k13 s THR 75 Ca 0.34 -0.97 -0.04 0.00 -1.18 0.00 0.00 61.69 59.84 2k13 s THR 75 Cb 0.07 -1.88 -0.02 0.00 1.34 0.00 0.00 72.50 72.01 2k13 s THR 75 CO 0.17 0.58 -0.04 -1.83 -0.54 0.00 0.00 174.62 172.95 2k13 s GLU 76 N -0.52 3.48 -0.01 3.99 4.04 -1.18 -2.46 118.70 126.04 2k13 s GLU 76 Ca 0.07 -0.59 0.02 0.00 0.04 0.00 0.00 54.97 54.51 2k13 s GLU 76 Cb -0.11 -2.96 -0.00 0.00 0.02 0.00 0.00 34.13 31.08 2k13 s GLU 76 CO 0.01 -0.02 -0.06 0.54 -1.84 0.00 0.00 175.26 173.88 2k13 s ASN 77 N 1.04 0.74 -0.00 0.83 2.20 -1.03 -3.59 114.94 115.13 2k13 s ASN 77 Ca 0.01 -0.11 0.01 0.00 -0.94 0.00 0.00 52.86 51.83 2k13 s ASN 77 Cb -0.15 -0.10 -0.00 0.00 -2.00 0.00 0.00 41.25 39.00 2k13 s ASN 77 CO 0.00 0.07 -0.04 -0.47 -2.94 0.00 0.00 177.10 173.72 2k13 s TYR 78 N -0.10 0.38 -0.50 1.54 5.04 -0.73 -2.23 117.35 120.74 2k13 s TYR 78 Ca 0.02 -0.10 -0.29 0.00 -2.44 0.00 0.00 57.07 54.26 2k13 s TYR 78 Cb -0.03 -0.24 0.03 0.00 0.35 0.00 0.00 41.96 42.07 2k13 s TYR 78 CO -0.00 -0.01 1.17 -1.17 -1.34 0.00 0.00 175.55 174.20 2k13 s LEU 79 N -0.20 3.58 -0.12 6.97 2.96 -0.60 -0.25 118.68 131.03 2k13 s LEU 79 Ca 0.01 0.41 0.00 0.00 -0.22 0.00 0.00 54.13 54.33 2k13 s LEU 79 Cb -0.02 -3.46 0.02 0.00 0.50 0.00 0.00 46.19 43.23 2k13 s LEU 79 CO -0.00 -1.33 -0.11 0.28 -1.32 0.00 0.00 176.35 173.88 2k13 s THR 80 N 4.67 1.23 -0.66 3.68 -1.32 -1.26 -4.96 115.64 117.01 2k13 s THR 80 Ca 0.48 -0.43 -0.08 0.00 -1.21 0.00 0.00 61.69 60.44 2k13 s THR 80 Cb -0.08 -1.19 0.01 0.00 -1.51 0.00 0.00 72.50 69.74 2k13 s THR 80 CO 0.31 0.40 0.65 -0.67 -2.21 0.00 0.00 174.62 173.09 2k13 n ASP 81 N 4.69 -6.80 -1.61 8.08 2.03 -1.26 -4.88 116.55 116.80 2k13 n ASP 81 Ca -0.16 -0.19 -0.03 0.00 0.52 0.00 0.00 54.79 54.94 2k13 n ASP 81 Cb 0.50 -3.96 0.02 0.00 -0.72 0.00 0.00 41.12 36.97 2k13 n ASP 81 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k13 s GLU 83 N 0.05 4.51 0.00 0.00 8.01 -1.26 -3.32 118.70 126.69 2k13 s GLU 83 Ca 0.03 1.89 0.00 0.00 0.01 0.00 0.00 54.97 56.90 2k13 s GLU 83 Cb 0.16 -3.22 0.00 0.00 -4.31 0.00 0.00 34.13 26.76 2k13 s GLU 83 CO -0.05 -0.04 0.00 0.41 0.01 0.00 0.00 175.26 175.59 2k13 n GLY 84 N 1.92 1.76 2.77 -1.39 0.00 -1.26 -4.80 105.19 104.19 2k13 n GLY 84 Ca 0.03 -0.38 -0.18 0.00 0.00 0.00 0.00 46.02 45.49 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 0.00 -3.94 -0.04 1.61 4.76 -1.21 -4.90 118.16 114.44 2k13 n LYS 85 Ca 0.00 0.76 0.12 0.00 -2.87 0.00 0.00 58.31 56.32 2k13 n LYS 85 Cb 0.00 -5.28 0.14 0.00 -1.84 0.00 0.00 35.03 28.06 2k13 n LYS 85 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 2k13 n ASP 86 N -1.73 3.00 -4.88 4.39 5.68 -1.26 -4.83 116.55 116.92 2k13 n ASP 86 Ca -0.10 -1.97 -0.36 0.00 -0.50 0.00 0.00 54.79 51.86 2k13 n ASP 86 Cb 0.60 -0.05 -0.06 0.00 -1.14 0.00 0.00 41.12 40.48 2k13 n ASP 86 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2k13 s ALA 87 N -1.91 3.88 -1.03 2.12 0.00 -1.26 -5.00 121.76 118.57 2k13 s ALA 87 Ca 0.31 -0.67 -0.06 0.00 0.00 0.00 0.00 51.96 51.54 2k13 s ALA 87 Cb 0.21 -1.94 -0.01 0.00 0.00 0.00 0.00 23.12 21.37 2k13 s ALA 87 CO 0.30 0.64 2.83 0.41 0.00 0.00 0.00 175.76 179.94 2k13 n GLY 88 N 1.80 4.42 3.58 0.00 0.00 -1.26 -4.85 105.19 108.88 2k13 n GLY 88 Ca -0.18 -1.73 -0.43 0.00 0.00 0.00 0.00 46.02 43.68 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 1.14 6.52 -0.05 1.61 2.47 -1.26 -4.89 114.94 120.48 2k13 s ASN 89 Ca 0.62 0.21 -0.23 0.00 0.42 0.00 0.00 52.86 53.88 2k13 s ASN 89 Cb 0.24 -2.53 -0.27 0.00 -1.45 0.00 0.00 41.25 37.24 2k13 s ASN 89 CO -0.09 -1.33 0.94 0.00 -3.72 0.00 0.00 177.10 172.90 2k13 h ALA 90 N 9.35 -0.02 -3.00 1.71 0.00 -1.85 -3.39 119.26 122.06 2k13 h ALA 90 Ca -0.24 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.08 2k13 h ALA 90 Cb 1.06 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2k13 h ALA 90 CO 1.14 0.25 0.00 0.00 0.00 0.00 0.00 179.25 180.64 2k13 n ALA 91 N -2.62 1.51 -2.18 0.00 0.00 -1.26 -4.86 120.51 111.11 2k13 n ALA 91 Ca -0.12 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.30 2k13 n ALA 91 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.12 2k13 n ALA 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k13 n GLY 92 N 4.41 0.37 3.25 0.00 0.00 -1.26 -4.10 105.19 107.85 2k13 n GLY 92 Ca 0.00 -0.73 -0.13 0.00 0.00 0.00 0.00 46.02 45.16 2k13 n GLY 92 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2k13 s THR 93 N -2.33 0.03 0.00 2.61 -1.32 -1.26 -3.43 115.64 109.95 2k13 s THR 93 Ca 0.02 -0.26 0.00 0.00 -1.21 0.00 0.00 61.69 60.23 2k13 s THR 93 Cb -0.01 -0.58 0.00 0.00 -1.51 0.00 0.00 72.50 70.40 2k13 s THR 93 CO 0.02 -0.15 0.00 0.61 -2.21 0.00 0.00 174.62 172.89 2k13 n GLY 94 N 1.92 1.17 6.34 6.08 0.00 -1.26 -4.89 105.19 114.55 2k13 n GLY 94 Ca -0.18 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 5.15 0.00 0.00 1.61 2.03 -1.26 -4.86 116.55 119.22 2k13 n ASP 95 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2k13 n ASP 95 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2k13 n ASP 95 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2k13 n GLU 96 N 0.00 0.00 -3.79 -0.67 -0.58 -1.26 -4.61 120.64 109.73 2k13 n GLU 96 Ca 0.00 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 56.72 2k13 n GLU 96 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 2k13 n GLU 96 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2k13 s SER 97 N -4.00 -0.07 -1.23 1.62 0.01 -1.26 -5.05 113.70 103.72 2k13 s SER 97 Ca 0.00 -0.42 -0.18 0.00 1.31 0.00 0.00 55.95 56.66 2k13 s SER 97 Cb 0.00 0.39 0.08 0.00 0.21 0.00 0.00 66.02 66.70 2k13 s SER 97 CO 0.00 -0.74 1.63 -0.62 0.41 0.00 0.00 173.24 173.92 2k13 s ASP 98 N -3.19 6.82 -0.54 2.44 2.15 -1.26 -4.92 116.67 118.17 2k13 s ASP 98 Ca 0.18 -2.38 -0.28 0.00 0.43 0.00 0.00 52.55 50.50 2k13 s ASP 98 Cb -0.00 -2.55 0.02 0.00 -0.30 0.00 0.00 42.92 40.09 2k13 s ASP 98 CO 0.02 -1.15 1.30 -0.70 -0.17 0.00 0.00 175.17 174.47 2k13 s GLU 99 N 3.88 3.46 -0.27 4.34 -6.30 -1.26 -4.71 118.70 117.83 2k13 s GLU 99 Ca 0.50 0.45 0.02 0.00 -2.50 0.00 0.00 54.97 53.45 2k13 s GLU 99 Cb 0.02 -4.05 0.07 0.00 0.00 0.00 0.00 34.13 30.18 2k13 s GLU 99 CO 0.04 -1.74 -0.04 0.14 0.02 0.00 0.00 175.26 173.68 2k13 s VAL 100 N 5.40 1.89 0.00 3.70 -7.23 -1.26 -4.83 120.40 118.08 2k13 s VAL 100 Ca 0.50 -1.66 0.00 0.00 -1.81 0.00 0.00 61.98 59.01 2k13 s VAL 100 Cb -0.09 -2.17 0.00 0.00 0.56 0.00 0.00 36.38 34.67 2k13 s VAL 100 CO 0.27 -0.24 0.00 -0.67 -0.31 0.00 0.00 175.10 174.15 2k13 n ASP 101 N 4.50 0.00 0.00 4.85 2.03 -1.26 -3.48 116.55 123.19 2k13 n ASP 101 Ca -0.08 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.23 2k13 n ASP 101 Cb 0.43 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.83 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 0.00 0.00 0.00 -0.67 0.28 -1.26 -5.33 120.64 113.66 2k13 n GLU 102 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 2k13 n GLU 102 Cb 0.00 -0.30 0.00 0.00 1.43 0.00 0.00 31.44 32.57 2k13 n GLU 102 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50