#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 0.69 -0.04 5.31 0.00 -1.26 -3.77 120.64 121.58 2k13 n GLU 2 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 57.16 57.13 2k13 n GLU 2 Cb 0.00 -1.25 -0.01 0.00 0.00 0.00 0.00 31.44 30.18 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 0.41 0.23 -4.15 3.44 3.00 -1.26 -4.72 116.66 113.62 2k13 n ARG 3 Ca 0.00 0.28 -0.16 0.00 -0.01 0.00 0.00 57.85 57.97 2k13 n ARG 3 Cb 0.26 -1.12 -0.12 0.00 0.00 0.00 0.00 32.46 31.48 2k13 n ARG 3 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 2k13 s GLU 4 N -1.72 0.65 0.47 5.56 2.02 -1.25 -4.23 118.70 120.20 2k13 s GLU 4 Ca -0.10 -0.73 0.00 0.00 0.02 0.00 0.00 54.97 54.17 2k13 s GLU 4 Cb 0.01 -0.54 0.09 0.00 0.10 0.00 0.00 34.13 33.80 2k13 s GLU 4 CO 0.14 0.12 0.64 -3.47 0.02 0.00 0.00 175.26 172.71 2k13 n ASP 5 N 1.69 0.88 -4.38 -0.19 -0.08 -1.26 -4.81 116.55 108.40 2k13 n ASP 5 Ca -0.20 -1.74 -0.45 0.00 -1.51 0.00 0.00 54.79 50.89 2k13 n ASP 5 Cb 0.55 -0.41 -0.05 0.00 2.34 0.00 0.00 41.12 43.55 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 2.56 3.46 -0.19 0.00 0.51 -1.26 -4.29 118.94 119.73 2k13 s TRP 7 Ca 0.11 0.31 -0.09 0.00 -2.12 0.00 0.00 56.10 54.31 2k13 s TRP 7 Cb -0.24 -1.80 -0.05 0.00 -0.81 0.00 0.00 33.47 30.58 2k13 s TRP 7 CO 0.07 0.62 0.10 0.99 -0.51 0.00 0.00 176.95 178.22 2k13 s THR 8 N -1.29 5.16 -0.05 2.01 2.01 0.12 -4.28 115.64 119.32 2k13 s THR 8 Ca 0.26 0.10 -0.06 0.00 0.31 0.00 0.00 61.69 62.30 2k13 s THR 8 Cb -0.12 -3.34 -0.04 0.00 0.01 0.00 0.00 72.50 69.00 2k13 s THR 8 CO 0.17 0.46 0.20 0.12 -0.69 0.00 0.00 174.62 174.88 2k13 s PHE 9 N 0.30 3.59 -0.03 4.92 5.36 -1.26 -1.28 117.98 129.58 2k13 s PHE 9 Ca 0.06 0.53 -0.08 0.00 -0.96 0.00 0.00 56.93 56.48 2k13 s PHE 9 Cb -0.12 -1.95 -0.03 0.00 -0.34 0.00 0.00 43.02 40.59 2k13 s PHE 9 CO -0.01 0.68 -0.15 0.98 -1.46 0.00 0.00 175.22 175.26 2k13 n TYR 10 N 1.51 0.00 -3.60 10.12 9.36 -1.20 -5.02 117.16 128.32 2k13 n TYR 10 Ca -0.15 0.00 -0.00 0.00 3.32 0.00 0.00 57.90 61.07 2k13 n TYR 10 Cb 0.54 -0.24 -0.01 0.00 -0.63 0.00 0.00 39.34 39.00 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 -2.38 -2.27 -0.26 2.98 0.00 -1.26 -5.09 121.76 113.47 2k13 s ALA 11 Ca -0.13 1.31 -0.27 0.00 0.00 0.00 0.00 51.96 52.87 2k13 s ALA 11 Cb 0.02 0.00 0.01 0.00 0.00 0.00 0.00 23.12 23.15 2k13 s ALA 11 CO 0.19 -0.81 0.96 -0.80 0.00 0.00 0.00 175.76 175.29 2k13 s ASN 12 N -2.54 6.93 0.15 0.00 0.02 -1.26 -2.74 114.94 115.50 2k13 s ASN 12 Ca 0.13 1.11 -0.16 0.00 -1.02 0.00 0.00 52.86 52.93 2k13 s ASN 12 Cb 0.03 -2.49 0.03 0.00 0.02 0.00 0.00 41.25 38.83 2k13 s ASN 12 CO -0.04 -0.67 0.43 -0.13 0.02 0.00 0.00 177.10 176.71 2k13 s ARG 13 N 3.17 1.18 -0.05 -0.60 0.52 -1.18 -4.22 118.95 117.78 2k13 s ARG 13 Ca 0.40 -0.82 -0.28 0.00 -0.52 0.00 0.00 55.73 54.51 2k13 s ARG 13 Cb -0.14 0.48 0.06 0.00 0.52 0.00 0.00 34.95 35.86 2k13 s ARG 13 CO 0.09 -0.47 0.62 0.21 0.02 0.00 0.00 175.30 175.77 2k13 s LYS 14 N -3.85 0.99 -0.53 3.54 2.47 0.38 -4.29 119.74 118.45 2k13 s LYS 14 Ca 0.07 0.20 -0.02 0.00 -1.56 0.00 0.00 55.97 54.66 2k13 s LYS 14 Cb 0.01 0.46 0.34 0.00 -1.46 0.00 0.00 37.83 37.18 2k13 s LYS 14 CO -0.07 -0.30 2.06 0.98 0.16 0.00 0.00 175.35 178.17 2k13 n TYR 15 N 1.02 2.51 -0.66 4.03 9.36 -1.26 -2.94 117.16 129.22 2k13 n TYR 15 Ca -0.19 -2.55 0.00 0.00 3.32 0.00 0.00 57.90 58.47 2k13 n TYR 15 Cb 0.57 -1.25 0.00 0.00 -0.63 0.00 0.00 39.34 38.03 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 -0.34 0.00 -4.08 2.97 -2.24 -1.26 -4.88 114.28 104.44 2k13 n THR 16 Ca 0.49 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 62.16 2k13 n THR 16 Cb 0.61 -0.66 -0.07 0.00 -2.10 0.00 0.00 70.33 68.11 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 -1.48 0.23 0.00 3.42 -1.08 -1.26 -5.07 116.67 111.43 2k13 s ASP 17 Ca 0.00 -1.20 0.21 0.00 -0.52 0.00 0.00 52.55 51.04 2k13 s ASP 17 Cb 0.00 0.54 0.35 0.00 -1.46 0.00 0.00 42.92 42.35 2k13 s ASP 17 CO 0.00 -1.08 1.13 0.49 0.52 0.00 0.00 175.17 176.23 2k13 n PHE 18 N -0.39 0.00 0.32 -5.34 3.01 -1.26 -4.93 117.46 108.86 2k13 n PHE 18 Ca 0.00 -0.44 0.20 0.00 1.01 0.00 0.00 57.45 58.22 2k13 n PHE 18 Cb 0.63 -0.09 1.05 0.00 -0.01 0.00 0.00 39.48 41.06 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 0.80 0.00 0.06 4.37 3.58 -1.98 -3.18 116.42 120.08 2k13 h ASP 19 Ca -0.22 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.23 2k13 h ASP 19 Cb 1.80 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.85 2k13 h ASP 19 CO 0.06 0.00 0.00 0.29 -2.88 0.00 0.00 179.24 176.71 2k13 n LYS 20 N -3.15 0.17 -1.61 0.28 4.76 -1.26 -4.87 118.16 112.48 2k13 n LYS 20 Ca -0.02 0.11 -0.00 0.00 -2.87 0.00 0.00 58.31 55.52 2k13 n LYS 20 Cb 0.19 -1.50 -0.00 0.00 -1.84 0.00 0.00 35.03 31.88 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 -1.14 -2.03 -4.29 4.39 2.88 -1.20 -4.23 113.62 108.00 2k13 n SER 21 Ca 0.04 0.13 -0.22 0.00 -1.33 0.00 0.00 58.87 57.49 2k13 n SER 21 Cb 0.04 -1.41 -0.12 0.00 -0.75 0.00 0.00 64.21 61.97 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 -0.09 1.71 -0.02 0.66 0.08 -1.26 -2.63 117.98 116.43 2k13 s PHE 22 Ca -0.02 -0.45 0.07 0.00 0.12 0.00 0.00 56.93 56.64 2k13 s PHE 22 Cb 0.00 -0.91 -0.02 0.00 -0.57 0.00 0.00 43.02 41.52 2k13 s PHE 22 CO 0.08 0.23 -0.22 0.15 -0.10 0.00 0.00 175.22 175.35 2k13 s LYS 23 N -2.28 2.21 0.01 0.44 1.02 -0.97 -4.91 119.74 115.26 2k13 s LYS 23 Ca 0.09 -0.87 0.00 0.00 0.02 0.00 0.00 55.97 55.21 2k13 s LYS 23 Cb -0.08 -2.14 -0.01 0.00 -0.52 0.00 0.00 37.83 35.08 2k13 s LYS 23 CO 0.05 0.58 -0.02 -1.59 -0.92 0.00 0.00 175.35 173.44 2k13 s LYS 24 N -0.72 0.21 0.24 1.68 0.00 -1.26 -1.43 119.74 118.45 2k13 s LYS 24 Ca 0.11 -0.29 -0.15 0.00 0.00 0.00 0.00 55.97 55.64 2k13 s LYS 24 Cb -0.10 -0.05 0.00 0.00 0.00 0.00 0.00 37.83 37.68 2k13 s LYS 24 CO -0.00 0.00 0.51 -1.12 0.00 0.00 0.00 175.35 174.74 2k13 s SER 25 N -0.63 -0.14 -0.62 0.03 0.01 -1.17 -5.01 113.70 106.17 2k13 s SER 25 Ca -0.06 -0.79 -0.10 0.00 1.31 0.00 0.00 55.95 56.31 2k13 s SER 25 Cb -0.04 0.60 0.16 0.00 0.21 0.00 0.00 66.02 66.94 2k13 s SER 25 CO -0.00 -1.14 0.51 -0.94 0.41 0.00 0.00 173.24 172.08 2k13 s SER 26 N -2.97 5.99 -0.26 2.44 1.04 -1.26 -2.62 113.70 116.05 2k13 s SER 26 Ca 0.18 -2.33 -0.02 0.00 0.48 0.00 0.00 55.95 54.25 2k13 s SER 26 Cb -0.01 -2.06 0.08 0.00 0.10 0.00 0.00 66.02 64.13 2k13 s SER 26 CO 0.06 -0.61 0.08 -1.81 0.98 0.00 0.00 173.24 171.94 2k13 s ASP 27 N 2.22 3.46 0.07 7.02 1.01 -1.26 -5.03 116.67 124.15 2k13 s ASP 27 Ca 0.11 -1.23 -0.20 0.00 0.71 0.00 0.00 52.55 51.94 2k13 s ASP 27 Cb -0.21 -0.64 -0.11 0.00 1.01 0.00 0.00 42.92 42.97 2k13 s ASP 27 CO -0.03 -0.38 1.51 -0.07 0.21 0.00 0.00 175.17 176.41 2k13 h LEU 28 N 8.22 0.29 0.13 1.23 -0.00 -1.95 0.25 115.31 123.48 2k13 h LEU 28 Ca -0.16 -0.29 -0.01 0.00 -0.00 0.00 0.00 57.88 57.43 2k13 h LEU 28 Cb 1.06 -0.08 0.00 0.00 -0.00 0.00 0.00 40.66 41.64 2k13 h LEU 28 CO 0.41 0.51 -0.06 0.44 -0.00 0.00 0.00 178.44 179.73 2k13 h ASP 29 N 0.06 -0.14 -0.56 -0.43 5.19 -1.96 -3.31 116.42 115.27 2k13 h ASP 29 Ca 0.05 -0.18 -0.05 0.00 -0.62 0.00 0.00 57.03 56.23 2k13 h ASP 29 Cb 0.35 0.04 -0.02 0.00 0.18 0.00 0.00 39.33 39.87 2k13 h ASP 29 CO 0.01 0.10 0.16 -0.33 -3.12 0.00 0.00 179.24 176.06 2k13 h GLU 30 N -0.39 0.88 -0.75 3.56 5.08 -1.90 -2.66 114.58 118.39 2k13 h GLU 30 Ca -0.02 -0.20 0.06 0.00 -1.00 0.00 0.00 59.36 58.21 2k13 h GLU 30 Cb 0.32 -0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.39 2k13 h GLU 30 CO 0.03 0.81 0.44 0.00 -1.00 0.00 0.00 179.01 179.29 2k13 h LYS 32 N 0.81 0.64 -0.43 0.00 6.56 -1.62 -0.44 116.57 122.09 2k13 h LYS 32 Ca 0.33 -0.18 -0.00 0.00 -1.06 0.00 0.00 60.65 59.74 2k13 h LYS 32 Cb 0.18 -0.07 -0.02 0.00 -0.57 0.00 0.00 32.23 31.75 2k13 h LYS 32 CO -0.18 0.70 0.25 1.57 -2.06 0.00 0.00 179.45 179.73 2k13 h LYS 33 N 0.48 0.59 -0.83 3.15 2.10 -0.94 -1.90 116.57 119.21 2k13 h LYS 33 Ca 0.11 -0.06 -0.03 0.00 -2.00 0.00 0.00 60.65 58.68 2k13 h LYS 33 Cb 0.38 -0.12 -0.04 0.00 -0.90 0.00 0.00 32.23 31.55 2k13 h LYS 33 CO 0.01 0.45 0.41 1.15 -2.00 0.00 0.00 179.45 179.47 2k13 h THR 34 N 0.56 1.26 -0.48 0.07 2.02 -0.07 -0.98 112.91 115.29 2k13 h THR 34 Ca 0.15 -0.71 0.04 0.00 0.77 0.00 0.00 66.41 66.66 2k13 h THR 34 Cb 0.02 0.19 -0.04 0.00 -1.74 0.00 0.00 68.15 66.58 2k13 h THR 34 CO -0.03 0.30 0.25 0.00 0.37 0.00 0.00 175.52 176.42 2k13 h PHE 36 N 0.50 0.63 -0.84 0.00 0.04 -0.42 -1.65 116.94 115.20 2k13 h PHE 36 Ca 0.20 -0.04 0.04 0.00 2.80 0.00 0.00 57.97 60.97 2k13 h PHE 36 Cb 0.09 -0.19 -0.05 0.00 2.20 0.00 0.00 35.95 38.00 2k13 h PHE 36 CO -0.09 0.55 0.54 1.57 -0.60 0.00 0.00 178.31 180.27 2k13 h LYS 37 N 0.61 1.01 0.00 1.51 5.09 -1.19 -3.45 116.57 120.15 2k13 h LYS 37 Ca 0.14 -0.06 0.00 0.00 0.09 0.00 0.00 60.65 60.82 2k13 h LYS 37 Cb 0.23 -0.23 0.00 0.00 0.10 0.00 0.00 32.23 32.33 2k13 h LYS 37 CO -0.00 0.67 0.00 2.41 -2.09 0.00 0.00 179.45 180.43 2k13 n THR 38 N -4.57 0.00 -0.03 0.07 -1.04 -0.62 -4.99 114.28 103.11 2k13 n THR 38 Ca 0.10 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 62.08 2k13 n THR 38 Cb 0.10 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.58 2k13 n THR 38 CO 0.00 0.00 0.00 1.05 -0.64 0.00 0.00 175.07 175.48 2k13 h GLU 39 N 0.00 -0.06 -0.23 -2.82 9.09 -1.87 -3.41 114.58 115.28 2k13 h GLU 39 Ca 0.00 0.00 -0.08 0.00 0.05 0.00 0.00 59.36 59.33 2k13 h GLU 39 Cb 0.00 0.01 -0.01 0.00 -1.65 0.00 0.00 28.75 27.10 2k13 h GLU 39 CO 0.00 0.14 -0.20 1.88 0.05 0.00 0.00 179.01 180.88 2k13 h TYR 40 N -1.01 0.45 0.00 2.06 0.05 -1.88 -3.48 116.97 113.16 2k13 h TYR 40 Ca -0.01 -0.08 0.00 0.00 0.05 0.00 0.00 58.73 58.69 2k13 h TYR 40 Cb 0.23 -0.12 0.00 0.00 1.01 0.00 0.00 36.73 37.85 2k13 h TYR 40 CO 0.05 0.59 0.00 0.00 -1.05 0.00 0.00 178.16 177.75 2k13 n TYR 42 N 0.00 0.00 -4.37 0.00 0.18 -1.26 -4.92 117.16 106.79 2k13 n TYR 42 Ca 0.00 0.00 -0.34 0.00 1.88 0.00 0.00 57.90 59.44 2k13 n TYR 42 Cb 0.00 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 38.86 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 -0.97 4.18 -0.01 -3.48 -1.09 -1.26 0.54 121.20 119.11 2k13 s ILE 43 Ca 0.00 -0.28 0.01 0.00 -2.23 0.00 0.00 60.65 58.15 2k13 s ILE 43 Cb 0.00 -2.79 0.00 0.00 -1.58 0.00 0.00 42.46 38.10 2k13 s ILE 43 CO 0.00 0.56 -0.04 -0.69 -1.23 0.00 0.00 174.94 173.54 2k13 s VAL 44 N -0.38 0.37 -0.08 2.92 1.01 -0.63 0.37 120.40 123.98 2k13 s VAL 44 Ca 0.07 -0.15 0.03 0.00 0.00 0.00 0.00 61.98 61.93 2k13 s VAL 44 Cb -0.12 -0.35 0.01 0.00 0.00 0.00 0.00 36.38 35.92 2k13 s VAL 44 CO 0.02 0.13 -0.17 -0.36 0.00 0.00 0.00 175.10 174.73 2k13 s PHE 45 N 0.20 1.85 0.06 5.22 0.08 0.70 -2.42 117.98 123.68 2k13 s PHE 45 Ca -0.02 -0.71 0.02 0.00 0.12 0.00 0.00 56.93 56.34 2k13 s PHE 45 Cb -0.06 -1.29 -0.03 0.00 -0.57 0.00 0.00 43.02 41.07 2k13 s PHE 45 CO -0.00 -0.32 -0.07 -1.21 -0.10 0.00 0.00 175.22 173.52 2k13 s GLU 46 N 0.51 0.63 0.02 0.44 2.02 -0.95 -0.64 118.70 120.72 2k13 s GLU 46 Ca -0.15 -0.97 0.06 0.00 0.02 0.00 0.00 54.97 53.93 2k13 s GLU 46 Cb -0.16 -0.24 -0.03 0.00 0.10 0.00 0.00 34.13 33.80 2k13 s GLU 46 CO 0.05 0.02 -0.17 0.16 0.02 0.00 0.00 175.26 175.35 2k13 s ASP 47 N -2.12 3.89 0.05 -0.19 -4.77 -0.45 0.64 116.67 113.71 2k13 s ASP 47 Ca -0.02 -0.35 0.24 0.00 -3.30 0.00 0.00 52.55 49.12 2k13 s ASP 47 Cb -0.04 -0.69 0.32 0.00 -1.09 0.00 0.00 42.92 41.42 2k13 s ASP 47 CO -0.02 0.28 1.28 1.07 0.70 0.00 0.00 175.17 178.48 2k13 n THR 48 N 1.75 0.14 0.03 2.11 5.66 -0.21 -0.87 114.28 122.88 2k13 n THR 48 Ca -0.16 -0.14 -0.19 0.00 -3.05 0.00 0.00 64.05 60.51 2k13 n THR 48 Cb 0.52 0.16 -0.14 0.00 -1.55 0.00 0.00 70.33 69.32 2k13 n THR 48 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 175.07 172.60 2k13 h VAL 49 N 0.00 1.54 0.00 1.08 2.07 -1.95 -3.32 116.25 115.67 2k13 h VAL 49 Ca 0.00 -2.44 -0.11 0.00 0.82 0.00 0.00 66.70 64.97 2k13 h VAL 49 Cb 0.63 3.14 -0.02 0.00 -1.52 0.00 0.00 31.29 33.52 2k13 h VAL 49 CO 0.00 0.68 -1.75 0.59 0.02 0.00 0.00 177.57 177.12 2k13 n ASN 50 N -4.21 0.37 -3.29 0.57 3.02 -1.26 -4.98 115.26 105.48 2k13 n ASN 50 Ca -0.13 0.15 -0.16 0.00 -0.03 0.00 0.00 54.58 54.42 2k13 n ASN 50 Cb 0.75 1.08 0.08 0.00 -0.61 0.00 0.00 39.78 41.08 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 -2.58 -6.19 -3.97 3.52 5.02 -0.05 -5.02 118.16 108.88 2k13 n LYS 51 Ca -0.10 0.80 -0.33 0.00 -2.02 0.00 0.00 58.31 56.66 2k13 n LYS 51 Cb 0.74 -5.68 -0.06 0.00 -0.02 0.00 0.00 35.03 30.02 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 -5.27 3.32 -0.20 1.97 2.02 -0.97 -4.81 118.70 114.76 2k13 s GLU 52 Ca 0.01 -0.36 -0.03 0.00 0.02 0.00 0.00 54.97 54.60 2k13 s GLU 52 Cb -0.00 -3.03 -0.01 0.00 0.10 0.00 0.00 34.13 31.19 2k13 s GLU 52 CO 0.69 0.67 -0.05 0.00 0.02 0.00 0.00 175.26 176.59 2k13 s TYR 54 N 1.21 2.68 -0.08 0.00 1.51 0.19 -3.03 117.35 119.82 2k13 s TYR 54 Ca 0.02 -1.12 0.03 0.00 -1.01 0.00 0.00 57.07 55.00 2k13 s TYR 54 Cb -0.14 -1.81 -0.01 0.00 -0.11 0.00 0.00 41.96 39.88 2k13 s TYR 54 CO -0.01 -0.48 -0.19 1.52 -1.11 0.00 0.00 175.55 175.27 2k13 s TYR 55 N 0.64 2.63 -0.18 2.71 1.13 -0.52 -0.22 117.35 123.55 2k13 s TYR 55 Ca -0.10 -0.60 -0.29 0.00 -1.41 0.00 0.00 57.07 54.67 2k13 s TYR 55 Cb -0.16 -1.69 -0.00 0.00 -1.10 0.00 0.00 41.96 39.00 2k13 s TYR 55 CO 0.02 -0.14 1.09 1.21 -2.51 0.00 0.00 175.55 175.23 2k13 s ASN 56 N -0.09 7.09 0.00 -0.18 2.47 0.16 -2.28 114.94 122.11 2k13 s ASN 56 Ca -0.04 1.51 0.16 0.00 0.42 0.00 0.00 52.86 54.91 2k13 s ASN 56 Cb -0.14 -2.54 -0.15 0.00 -1.45 0.00 0.00 41.25 36.97 2k13 s ASN 56 CO 0.04 -0.64 0.71 1.33 -3.72 0.00 0.00 177.10 174.82 2k13 n VAL 57 N 5.11 0.00 -3.69 -5.21 0.24 -1.08 -4.11 118.33 109.60 2k13 n VAL 57 Ca 0.12 -0.15 -0.01 0.00 -2.04 0.00 0.00 64.34 62.25 2k13 n VAL 57 Cb 0.46 1.03 -0.00 0.00 -1.47 0.00 0.00 33.84 33.86 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 -1.18 0.00 -1.74 3.34 0.31 -1.25 -4.24 118.33 113.56 2k13 n VAL 58 Ca 0.04 -0.07 -0.42 0.00 -0.01 0.00 0.00 64.34 63.88 2k13 n VAL 58 Cb 0.26 -0.32 -0.02 0.00 -0.91 0.00 0.00 33.84 32.86 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 -1.66 3.89 0.00 4.52 5.68 -1.26 -4.81 116.55 122.90 2k13 n ASP 59 Ca -0.00 1.12 0.00 0.00 -0.50 0.00 0.00 54.79 55.41 2k13 n ASP 59 Cb 0.02 -1.59 0.00 0.00 -1.14 0.00 0.00 41.12 38.41 2k13 n ASP 59 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k13 n GLY 60 N 2.62 -1.45 0.28 6.12 0.00 -1.26 -4.79 105.19 106.71 2k13 n GLY 60 Ca 0.10 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.29 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 0.00 0.00 0.00 1.61 4.11 -1.98 0.12 114.58 118.44 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 0.96 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.21 2k13 h GLU 61 CO 0.00 0.03 -0.05 0.39 0.07 0.00 0.00 179.01 179.45 2k13 n GLU 62 N -3.15 0.08 -2.70 1.06 -0.58 -1.26 -4.65 120.64 109.43 2k13 n GLU 62 Ca 0.00 0.06 -0.42 0.00 -0.42 0.00 0.00 57.16 56.38 2k13 n GLU 62 Cb 0.29 -1.58 -0.03 0.00 -0.57 0.00 0.00 31.44 29.55 2k13 n GLU 62 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2k13 s LEU 63 N -3.43 3.74 -0.25 -4.62 1.43 0.42 -4.97 118.68 110.99 2k13 s LEU 63 Ca 0.13 -0.42 -0.14 0.00 -1.03 0.00 0.00 54.13 52.67 2k13 s LEU 63 Cb 0.17 -2.73 -0.04 0.00 0.03 0.00 0.00 46.19 43.62 2k13 s LEU 63 CO 0.56 -1.51 0.30 -1.81 0.23 0.00 0.00 176.35 174.12 2k13 s ASP 64 N 3.32 6.22 0.51 2.29 1.01 -1.26 -4.97 116.67 123.79 2k13 s ASP 64 Ca 0.33 0.24 0.18 0.00 0.71 0.00 0.00 52.55 54.01 2k13 s ASP 64 Cb -0.11 -2.18 1.29 0.00 1.01 0.00 0.00 42.92 42.93 2k13 s ASP 64 CO 0.17 -0.09 2.13 1.56 0.21 0.00 0.00 175.17 179.15 2k13 h GLN 65 N 7.93 0.00 0.00 8.23 1.08 -1.96 -0.66 115.11 129.73 2k13 h GLN 65 Ca -0.34 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 56.80 2k13 h GLN 65 Cb 1.17 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.59 2k13 h GLN 65 CO 0.64 0.05 -0.25 0.93 -0.95 0.00 0.00 178.83 179.25 2k13 h GLU 66 N 0.00 0.00 -0.02 1.46 3.07 -2.02 -2.15 114.58 114.93 2k13 h GLU 66 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2k13 h GLU 66 Cb 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.00 2k13 h GLU 66 CO 0.01 0.25 -0.02 1.63 -1.40 0.00 0.00 179.01 179.47 2k13 n LYS 67 N -3.37 1.79 -2.59 2.33 4.01 -0.26 -4.86 118.16 115.20 2k13 n LYS 67 Ca 0.00 -1.20 -0.33 0.00 -0.51 0.00 0.00 58.31 56.28 2k13 n LYS 67 Cb 0.47 -1.48 -0.05 0.00 -0.51 0.00 0.00 35.03 33.46 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 -2.04 3.37 0.34 2.13 0.40 -0.81 -4.93 117.98 116.45 2k13 s PHE 68 Ca 0.34 1.54 0.09 0.00 -0.60 0.00 0.00 56.93 58.29 2k13 s PHE 68 Cb 0.21 -2.83 -0.05 0.00 0.51 0.00 0.00 43.02 40.86 2k13 s PHE 68 CO 0.34 -0.27 0.07 0.08 0.70 0.00 0.00 175.22 176.15 2k13 s VAL 69 N -2.41 2.85 -0.31 -0.44 1.01 -1.15 -4.89 120.40 115.07 2k13 s VAL 69 Ca 0.61 -1.84 -0.21 0.00 0.00 0.00 0.00 61.98 60.53 2k13 s VAL 69 Cb -0.10 -2.88 -0.01 0.00 0.00 0.00 0.00 36.38 33.39 2k13 s VAL 69 CO 0.23 -0.20 0.67 -0.69 0.00 0.00 0.00 175.10 175.11 2k13 s VAL 70 N -2.47 4.89 -0.19 2.92 1.01 -1.26 0.14 120.40 125.46 2k13 s VAL 70 Ca 0.36 0.93 -0.09 0.00 0.00 0.00 0.00 61.98 63.19 2k13 s VAL 70 Cb -0.01 -4.05 -0.05 0.00 0.00 0.00 0.00 36.38 32.27 2k13 s VAL 70 CO 0.21 -0.18 0.10 -0.62 0.00 0.00 0.00 175.10 174.61 2k13 s ASP 71 N 1.64 5.95 0.00 3.32 -1.08 -1.26 -4.61 116.67 120.63 2k13 s ASP 71 Ca 0.27 0.18 0.22 0.00 -0.52 0.00 0.00 52.55 52.70 2k13 s ASP 71 Cb -0.15 -2.02 0.55 0.00 -1.46 0.00 0.00 42.92 39.84 2k13 s ASP 71 CO 0.12 0.19 1.47 1.21 0.52 0.00 0.00 175.17 178.68 2k13 n GLU 72 N 3.41 2.50 -0.00 4.34 2.13 -1.26 -3.08 120.64 128.68 2k13 n GLU 72 Ca -0.17 -2.31 0.02 0.00 0.66 0.00 0.00 57.16 55.36 2k13 n GLU 72 Cb 0.52 -1.52 -0.04 0.00 0.27 0.00 0.00 31.44 30.68 2k13 n GLU 72 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 2k13 n ASN 73 N 1.43 3.84 -4.87 4.31 0.23 -1.26 -4.99 115.26 113.95 2k13 n ASN 73 Ca 0.21 0.00 -0.26 0.00 -0.53 0.00 0.00 54.58 54.00 2k13 n ASN 73 Cb 0.57 1.19 -0.04 0.00 -2.08 0.00 0.00 39.78 39.42 2k13 n ASN 73 CO 0.00 0.00 0.00 -0.36 -0.93 0.00 0.00 177.26 175.97 2k13 s PHE 74 N -2.34 3.31 -0.08 -2.53 0.40 -1.26 -1.05 117.98 114.44 2k13 s PHE 74 Ca -0.02 0.04 0.04 0.00 -0.60 0.00 0.00 56.93 56.39 2k13 s PHE 74 Cb 0.03 -1.58 -0.01 0.00 0.51 0.00 0.00 43.02 41.97 2k13 s PHE 74 CO 0.21 0.51 -0.20 0.95 0.70 0.00 0.00 175.22 177.39 2k13 s THR 75 N -1.77 2.47 -0.20 0.64 -4.23 0.21 -3.75 115.64 109.01 2k13 s THR 75 Ca 0.33 -0.91 -0.02 0.00 -1.18 0.00 0.00 61.69 59.91 2k13 s THR 75 Cb -0.10 -1.95 -0.00 0.00 1.34 0.00 0.00 72.50 71.78 2k13 s THR 75 CO 0.26 0.56 -0.09 -0.70 -0.54 0.00 0.00 174.62 174.11 2k13 s GLU 76 N -0.12 3.29 -0.06 3.99 2.12 -1.11 -2.25 118.70 124.56 2k13 s GLU 76 Ca -0.04 -0.68 -0.04 0.00 0.36 0.00 0.00 54.97 54.57 2k13 s GLU 76 Cb -0.14 -2.85 0.03 0.00 0.26 0.00 0.00 34.13 31.43 2k13 s GLU 76 CO 0.04 -0.14 0.15 0.54 -0.54 0.00 0.00 175.26 175.31 2k13 s ASN 77 N 1.26 -0.14 0.00 -1.70 6.03 -1.01 -3.26 114.94 116.12 2k13 s ASN 77 Ca 0.03 0.31 0.01 0.00 -1.03 0.00 0.00 52.86 52.19 2k13 s ASN 77 Cb -0.14 0.26 -0.01 0.00 -3.03 0.00 0.00 41.25 38.33 2k13 s ASN 77 CO -0.04 -0.10 -0.05 -0.72 -2.03 0.00 0.00 177.10 174.16 2k13 s TYR 78 N 0.65 0.41 -1.14 1.54 1.13 -0.40 -1.60 117.35 117.94 2k13 s TYR 78 Ca -0.05 -0.13 -0.18 0.00 -1.41 0.00 0.00 57.07 55.30 2k13 s TYR 78 Cb -0.06 -0.26 0.10 0.00 -1.10 0.00 0.00 41.96 40.63 2k13 s TYR 78 CO -0.03 -0.02 1.48 -1.17 -2.51 0.00 0.00 175.55 173.30 2k13 s LEU 79 N -0.28 4.27 -0.27 -3.49 2.96 0.19 -0.70 118.68 121.36 2k13 s LEU 79 Ca 0.00 -2.26 -0.00 0.00 -0.22 0.00 0.00 54.13 51.65 2k13 s LEU 79 Cb -0.03 -2.50 0.08 0.00 0.50 0.00 0.00 46.19 44.24 2k13 s LEU 79 CO -0.00 -1.13 0.04 0.28 -1.32 0.00 0.00 176.35 174.22 2k13 s THR 80 N 3.50 1.09 0.00 3.68 -1.32 -1.26 -4.84 115.64 116.49 2k13 s THR 80 Ca 0.45 -1.25 0.00 0.00 -1.21 0.00 0.00 61.69 59.68 2k13 s THR 80 Cb -0.00 -1.65 0.00 0.00 -1.51 0.00 0.00 72.50 69.34 2k13 s THR 80 CO -0.02 -0.42 0.00 -0.67 -2.21 0.00 0.00 174.62 171.30 2k13 n ASP 81 N 4.79 0.00 -0.05 8.08 2.03 -1.26 -4.56 116.55 125.58 2k13 n ASP 81 Ca -0.06 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.23 2k13 n ASP 81 Cb 0.44 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.83 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 -4.29 -3.06 0.00 0.00 4.71 -1.26 -4.82 120.64 111.92 2k13 n GLU 83 Ca -0.04 0.62 0.00 0.00 -0.01 0.00 0.00 57.16 57.73 2k13 n GLU 83 Cb 0.15 -4.97 0.00 0.00 -1.01 0.00 0.00 31.44 25.61 2k13 n GLU 83 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2k13 n GLY 84 N -1.53 2.34 3.53 0.62 0.00 -1.26 -5.04 105.19 103.85 2k13 n GLY 84 Ca -0.18 -0.37 -0.34 0.00 0.00 0.00 0.00 46.02 45.14 2k13 n GLY 84 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2k13 n LYS 85 N 0.00 0.47 0.00 1.61 0.00 -1.26 -4.67 118.16 114.31 2k13 n LYS 85 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 58.31 58.21 2k13 n LYS 85 Cb 0.00 -2.46 0.00 0.00 0.00 0.00 0.00 35.03 32.57 2k13 n LYS 85 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2k13 n ASP 86 N 13.03 0.16 0.14 3.14 2.03 -1.26 -4.74 116.55 129.05 2k13 n ASP 86 Ca 0.53 0.00 0.02 0.00 0.52 0.00 0.00 54.79 55.86 2k13 n ASP 86 Cb 0.29 0.00 0.37 0.00 -0.72 0.00 0.00 41.12 41.07 2k13 n ASP 86 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k13 h ALA 87 N 0.00 1.45 0.00 -1.67 0.00 -1.97 -3.46 119.26 113.60 2k13 h ALA 87 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2k13 h ALA 87 Cb 0.99 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2k13 h ALA 87 CO 0.00 0.39 0.00 0.41 0.00 0.00 0.00 179.25 180.05 2k13 n GLY 88 N -0.71 2.41 3.77 0.00 0.00 -1.26 -5.04 105.19 104.36 2k13 n GLY 88 Ca -0.01 -0.23 -0.40 0.00 0.00 0.00 0.00 46.02 45.37 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 0.29 6.57 -0.04 1.61 4.22 -1.26 -4.98 114.94 121.34 2k13 s ASN 89 Ca 0.00 2.75 0.02 0.00 -2.14 0.00 0.00 52.86 53.50 2k13 s ASN 89 Cb 0.00 -2.65 0.01 0.00 1.28 0.00 0.00 41.25 39.89 2k13 s ASN 89 CO 0.00 -0.68 -0.09 0.00 -2.04 0.00 0.00 177.10 174.28 2k13 s ALA 90 N -1.17 0.97 0.01 3.54 0.00 -1.26 -3.87 121.76 119.98 2k13 s ALA 90 Ca 0.52 -0.32 -0.21 0.00 0.00 0.00 0.00 51.96 51.94 2k13 s ALA 90 Cb -0.41 -0.41 -0.19 0.00 0.00 0.00 0.00 23.12 22.11 2k13 s ALA 90 CO 0.54 0.12 1.20 0.00 0.00 0.00 0.00 175.76 177.62 2k13 h ALA 91 N 6.66 0.14 0.00 0.00 0.00 -1.77 -3.47 119.26 120.82 2k13 h ALA 91 Ca -0.34 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.15 2k13 h ALA 91 Cb 1.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2k13 h ALA 91 CO 0.48 0.17 0.00 0.41 0.00 0.00 0.00 179.25 180.31 2k13 n GLY 92 N 0.64 1.93 0.00 0.00 0.00 -1.26 -4.69 105.19 101.80 2k13 n GLY 92 Ca -0.08 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.75 2k13 n GLY 92 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2k13 n THR 93 N 0.00 0.00 -1.63 2.61 5.66 -1.26 -5.10 114.28 114.56 2k13 n THR 93 Ca 0.00 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.70 2k13 n THR 93 Cb 0.00 0.00 0.18 0.00 -1.55 0.00 0.00 70.33 68.96 2k13 n THR 93 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2k13 s GLY 94 N 0.00 1.68 0.42 1.09 0.00 -1.26 -4.98 107.32 104.27 2k13 s GLY 94 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 44.72 43.75 2k13 s GLY 94 CO 0.00 -0.23 0.00 1.34 0.00 0.00 0.00 173.10 174.21 2k13 n ASP 95 N -4.00 -3.43 -2.94 1.64 2.03 -1.26 -4.92 116.55 103.67 2k13 n ASP 95 Ca 0.13 0.81 -0.07 0.00 0.52 0.00 0.00 54.79 56.17 2k13 n ASP 95 Cb 0.60 3.24 0.01 0.00 -0.72 0.00 0.00 41.12 44.24 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 -3.41 -2.43 -2.80 -0.67 4.71 -1.26 -5.01 120.64 109.78 2k13 n GLU 96 Ca 0.00 2.09 -0.31 0.00 -0.01 0.00 0.00 57.16 58.92 2k13 n GLU 96 Cb 0.00 -4.25 -0.04 0.00 -1.01 0.00 0.00 31.44 26.14 2k13 n GLU 96 CO 0.00 0.00 0.00 -1.12 0.09 0.00 0.00 177.13 176.10 2k13 s SER 97 N -1.76 6.63 -1.03 1.62 0.01 -1.26 -4.97 113.70 112.94 2k13 s SER 97 Ca 0.11 1.31 -0.23 0.00 1.31 0.00 0.00 55.95 58.46 2k13 s SER 97 Cb -0.02 -2.40 0.05 0.00 0.21 0.00 0.00 66.02 63.86 2k13 s SER 97 CO 0.65 -0.40 1.46 -1.81 0.41 0.00 0.00 173.24 173.55 2k13 s ASP 98 N -2.88 6.52 -0.23 2.44 1.01 -1.26 -4.94 116.67 117.33 2k13 s ASP 98 Ca 0.55 -1.51 -0.05 0.00 0.71 0.00 0.00 52.55 52.24 2k13 s ASP 98 Cb -0.10 -2.57 -0.02 0.00 1.01 0.00 0.00 42.92 41.24 2k13 s ASP 98 CO 0.27 -1.49 0.01 -1.61 0.21 0.00 0.00 175.17 172.56 2k13 s GLU 99 N 4.92 3.52 0.00 8.23 2.02 -1.26 -4.63 118.70 131.50 2k13 s GLU 99 Ca 0.46 -0.55 0.00 0.00 0.02 0.00 0.00 54.97 54.90 2k13 s GLU 99 Cb 0.00 -3.14 0.00 0.00 0.10 0.00 0.00 34.13 31.09 2k13 s GLU 99 CO -0.09 -0.16 0.00 1.55 0.02 0.00 0.00 175.26 176.58 2k13 n VAL 100 N 4.74 0.00 0.35 2.63 3.14 -1.26 -2.61 118.33 125.32 2k13 n VAL 100 Ca -0.17 0.00 0.12 0.00 -2.96 0.00 0.00 64.34 61.33 2k13 n VAL 100 Cb 0.51 0.00 0.23 0.00 -1.06 0.00 0.00 33.84 33.52 2k13 n VAL 100 CO 0.00 0.00 0.00 -0.78 -6.46 0.00 0.00 176.83 169.59 2k13 h ASP 101 N 0.00 0.00 0.80 6.55 3.58 -1.98 -3.06 116.42 122.30 2k13 h ASP 101 Ca 0.00 -0.01 -0.24 0.00 0.42 0.00 0.00 57.03 57.20 2k13 h ASP 101 Cb 0.00 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.02 2k13 h ASP 101 CO 0.00 0.01 -1.22 -0.33 -2.88 0.00 0.00 179.24 174.82 2k13 h GLU 102 N 0.00 0.06 0.00 0.28 4.39 -1.84 -3.54 114.58 113.93 2k13 h GLU 102 Ca 0.00 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.59 2k13 h GLU 102 Cb 0.91 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.60 2k13 h GLU 102 CO 0.00 0.95 0.00 -3.47 -1.16 0.00 0.00 179.01 175.33