#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ulk n PRO 2 N 0.00 1.96 0.00 0.00 -0.02 -1.26 -4.93 135.00 130.75 1ulk n PRO 2 Ca 0.00 0.69 0.04 0.00 -2.02 0.00 0.00 63.50 62.21 1ulk n PRO 2 Cb 0.00 -2.25 -0.02 0.00 -0.02 0.00 0.00 33.50 31.21 1ulk n PRO 2 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 1ulk n VAL 3 N 0.63 0.00 -3.81 -1.45 3.14 0.99 -4.77 118.33 113.05 1ulk n VAL 3 Ca 0.07 -0.37 -0.09 0.00 -2.96 0.00 0.00 64.34 60.98 1ulk n VAL 3 Cb 0.34 1.06 -0.05 0.00 -1.06 0.00 0.00 33.84 34.14 1ulk n VAL 3 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1ulk n GLY 5 N -0.32 -1.82 0.29 0.00 0.00 -0.49 -4.19 105.19 98.67 1ulk n GLY 5 Ca -0.09 -1.83 0.15 0.00 0.00 0.00 0.00 46.02 44.26 1ulk n GLY 5 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1ulk h VAL 6 N 0.00 0.51 -0.51 1.61 -1.51 -1.92 0.13 116.25 114.57 1ulk h VAL 6 Ca 0.00 -0.07 0.00 0.00 -1.23 0.00 0.00 66.70 65.40 1ulk h VAL 6 Cb 0.00 1.05 0.00 0.00 -2.13 0.00 0.00 31.29 30.21 1ulk h VAL 6 CO 0.00 0.02 0.00 0.54 -1.23 0.00 0.00 177.57 176.90 1ulk n ARG 7 N -3.79 2.46 -2.76 5.19 1.74 -1.26 -4.15 116.66 114.08 1ulk n ARG 7 Ca -0.03 -1.94 -0.04 0.00 -0.77 0.00 0.00 57.85 55.08 1ulk n ARG 7 Cb 0.10 -1.51 0.04 0.00 -1.02 0.00 0.00 32.46 30.08 1ulk n ARG 7 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ulk n ALA 8 N 0.94 2.94 -2.61 7.54 0.00 -0.21 -4.80 120.51 124.31 1ulk n ALA 8 Ca 0.18 -2.91 -0.21 0.00 0.00 0.00 0.00 53.44 50.49 1ulk n ALA 8 Cb 0.52 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 19.07 1ulk n ALA 8 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1ulk n SER 9 N -0.38 -5.87 -1.64 0.00 7.64 -1.22 -1.82 113.62 110.32 1ulk n SER 9 Ca 0.08 -0.10 -0.20 0.00 1.01 0.00 0.00 58.87 59.67 1ulk n SER 9 Cb 0.81 -4.85 -0.07 0.00 -1.01 0.00 0.00 64.21 59.09 1ulk n SER 9 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ulk n GLY 10 N -1.17 1.52 3.77 0.23 0.00 0.30 -4.95 105.19 104.90 1ulk n GLY 10 Ca -0.20 -0.06 -0.39 0.00 0.00 0.00 0.00 46.02 45.37 1ulk n GLY 10 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ulk s ARG 11 N -3.89 4.15 0.46 1.61 0.52 -0.75 -4.66 118.95 116.38 1ulk s ARG 11 Ca 0.00 1.95 0.05 0.00 -0.52 0.00 0.00 55.73 57.20 1ulk s ARG 11 Cb 0.00 -2.80 0.01 0.00 0.52 0.00 0.00 34.95 32.68 1ulk s ARG 11 CO 0.00 -0.27 0.64 0.14 0.02 0.00 0.00 175.30 175.83 1ulk s VAL 12 N -1.32 3.13 0.22 3.52 -7.23 -1.26 -1.39 120.40 116.07 1ulk s VAL 12 Ca 0.54 -0.82 -0.15 0.00 -1.81 0.00 0.00 61.98 59.74 1ulk s VAL 12 Cb -0.33 -3.11 -0.08 0.00 0.56 0.00 0.00 36.38 33.42 1ulk s VAL 12 CO 0.43 -0.06 0.64 0.00 -0.31 0.00 0.00 175.10 175.80 1ulk s PRO 14 N -2.39 2.68 -1.95 0.00 0.02 -1.26 -3.58 135.00 128.52 1ulk s PRO 14 Ca 0.45 1.00 0.00 0.00 0.02 0.00 0.00 61.00 62.47 1ulk s PRO 14 Cb -0.13 -1.96 0.00 0.00 0.02 0.00 0.00 34.50 32.43 1ulk s PRO 14 CO 0.20 -1.29 0.00 -0.25 -0.33 0.00 0.00 177.00 175.32 1ulk n ASP 15 N -3.27 -5.05 -0.38 2.53 8.00 -1.26 -2.12 116.55 115.00 1ulk n ASP 15 Ca 0.08 0.45 -0.05 0.00 0.71 0.00 0.00 54.79 55.98 1ulk n ASP 15 Cb 0.54 -4.43 -0.02 0.00 -0.02 0.00 0.00 41.12 37.18 1ulk n ASP 15 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ulk n GLY 16 N -0.30 0.72 3.73 0.44 0.00 -1.23 -5.00 105.19 103.55 1ulk n GLY 16 Ca -0.18 -0.35 -0.34 0.00 0.00 0.00 0.00 46.02 45.15 1ulk n GLY 16 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ulk s TYR 17 N -1.99 2.19 0.33 1.61 4.12 -0.90 -4.58 117.35 118.12 1ulk s TYR 17 Ca 0.00 1.59 -0.26 0.00 0.02 0.00 0.00 57.07 58.42 1ulk s TYR 17 Cb 0.00 -3.40 -0.10 0.00 -1.52 0.00 0.00 41.96 36.95 1ulk s TYR 17 CO 0.00 -2.38 0.99 0.00 0.02 0.00 0.00 175.55 174.18 1ulk s SER 20 N 1.70 3.46 0.57 0.00 1.04 0.55 -0.32 113.70 120.69 1ulk s SER 20 Ca 0.06 1.70 0.26 0.00 0.48 0.00 0.00 55.95 58.45 1ulk s SER 20 Cb -0.17 -2.35 1.66 0.00 0.10 0.00 0.00 66.02 65.26 1ulk s SER 20 CO 0.09 -2.68 2.22 0.06 0.98 0.00 0.00 173.24 173.91 1ulk h GLN 21 N -1.58 0.00 -0.01 4.02 3.07 -1.76 -0.55 115.11 118.31 1ulk h GLN 21 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.26 1ulk h GLN 21 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.83 1ulk h GLN 21 CO 0.51 0.01 -0.06 0.91 0.09 0.00 0.00 178.83 180.29 1ulk n TRP 22 N -4.02 0.00 -0.92 0.06 7.02 -1.26 -4.95 117.44 113.38 1ulk n TRP 22 Ca -0.03 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.45 1ulk n TRP 22 Cb 0.09 -0.05 0.00 0.00 -2.42 0.00 0.00 31.31 28.93 1ulk n TRP 22 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1ulk n GLY 23 N 1.20 1.14 3.26 6.99 0.00 -0.21 -4.69 105.19 112.86 1ulk n GLY 23 Ca 0.18 -0.31 -0.18 0.00 0.00 0.00 0.00 46.02 45.71 1ulk n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ulk s TYR 24 N -2.23 1.43 -0.16 1.61 2.02 -1.26 -0.01 117.35 118.75 1ulk s TYR 24 Ca 0.00 -0.58 -0.08 0.00 -0.37 0.00 0.00 57.07 56.04 1ulk s TYR 24 Cb 0.00 -0.73 -0.04 0.00 -0.40 0.00 0.00 41.96 40.78 1ulk s TYR 24 CO 0.00 0.17 0.12 0.00 -1.57 0.00 0.00 175.55 174.27 1ulk n GLY 26 N 2.84 0.64 0.00 0.00 0.00 -0.70 -4.96 105.19 103.00 1ulk n GLY 26 Ca -0.18 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.79 1ulk n GLY 26 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ulk n THR 27 N -0.57 0.38 -2.90 2.61 -2.24 -1.26 -1.35 114.28 108.94 1ulk n THR 27 Ca 0.00 -0.55 -0.21 0.00 -2.27 0.00 0.00 64.05 61.02 1ulk n THR 27 Cb 0.42 0.94 0.09 0.00 -2.10 0.00 0.00 70.33 69.68 1ulk n THR 27 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1ulk n THR 28 N -0.19 0.00 -0.31 4.28 -2.24 -1.26 -4.81 114.28 109.75 1ulk n THR 28 Ca 0.00 -1.87 0.10 0.00 -2.27 0.00 0.00 64.05 60.00 1ulk n THR 28 Cb 0.20 -0.62 0.26 0.00 -2.10 0.00 0.00 70.33 68.07 1ulk n THR 28 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1ulk h GLU 29 N 0.00 0.59 -0.96 -0.78 4.57 -1.97 -0.33 114.58 115.69 1ulk h GLU 29 Ca -0.30 -0.04 0.16 0.00 -1.18 0.00 0.00 59.36 58.01 1ulk h GLU 29 Cb 1.28 -0.13 -0.09 0.00 -0.16 0.00 0.00 28.75 29.65 1ulk h GLU 29 CO 0.39 0.39 0.61 1.49 -1.18 0.00 0.00 179.01 180.71 1ulk h GLU 30 N 0.61 0.74 0.07 1.92 4.81 -1.95 -0.29 114.58 120.49 1ulk h GLU 30 Ca 0.51 -0.04 -0.37 0.00 -0.13 0.00 0.00 59.36 59.32 1ulk h GLU 30 Cb 0.79 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 29.96 1ulk h GLU 30 CO -0.40 0.49 -2.14 0.66 -0.73 0.00 0.00 179.01 176.89 1ulk n TYR 31 N -4.64 0.76 0.94 0.92 4.01 -0.29 -4.48 117.16 114.39 1ulk n TYR 31 Ca 0.20 0.18 0.11 0.00 -0.16 0.00 0.00 57.90 58.22 1ulk n TYR 31 Cb 0.51 -1.10 -0.01 0.00 -0.31 0.00 0.00 39.34 38.43 1ulk n TYR 31 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1ulk n GLY 33 N 1.48 1.14 3.66 0.00 0.00 -0.12 -4.72 105.19 106.64 1ulk n GLY 33 Ca 0.04 -1.54 -0.46 0.00 0.00 0.00 0.00 46.02 44.05 1ulk n GLY 33 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ulk n LYS 34 N 0.00 1.99 -0.24 1.61 4.81 -1.26 -1.49 118.16 123.58 1ulk n LYS 34 Ca 0.00 0.72 0.00 0.00 -0.87 0.00 0.00 58.31 58.16 1ulk n LYS 34 Cb 0.00 -2.43 0.00 0.00 0.02 0.00 0.00 35.03 32.62 1ulk n LYS 34 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ulk n GLY 35 N 2.93 1.05 3.69 3.14 0.00 -1.26 -4.72 105.19 110.02 1ulk n GLY 35 Ca 0.15 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.74 1ulk n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ulk n GLN 37 N 2.39 0.68 -3.46 0.00 6.02 0.56 -4.91 117.38 118.66 1ulk n GLN 37 Ca 0.12 0.28 -0.12 0.00 -0.01 0.00 0.00 57.00 57.27 1ulk n GLN 37 Cb 0.33 -1.75 -0.03 0.00 1.02 0.00 0.00 30.24 29.81 1ulk n GLN 37 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1ulk s SER 38 N -6.47 -0.51 -1.51 1.08 1.04 -1.25 -4.95 113.70 101.13 1ulk s SER 38 Ca -0.12 0.10 -0.11 0.00 0.48 0.00 0.00 55.95 56.30 1ulk s SER 38 Cb 0.07 0.52 0.07 0.00 0.10 0.00 0.00 66.02 66.79 1ulk s SER 38 CO 0.80 -0.80 0.85 0.00 0.98 0.00 0.00 173.24 175.07 1ulk n GLN 39 N -0.15 -4.88 0.00 4.02 6.02 -1.26 -1.94 117.38 119.18 1ulk n GLN 39 Ca -0.15 0.55 0.15 0.00 -0.01 0.00 0.00 57.00 57.55 1ulk n GLN 39 Cb 0.63 -5.29 0.84 0.00 1.02 0.00 0.00 30.24 27.44 1ulk n GLN 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ulk n ASP 41 N -1.13 5.24 -0.34 0.00 5.68 -1.26 -4.59 116.55 120.15 1ulk n ASP 41 Ca 0.19 -2.69 0.10 0.00 -0.50 0.00 0.00 54.79 51.89 1ulk n ASP 41 Cb 0.17 -0.64 0.28 0.00 -1.14 0.00 0.00 41.12 39.78 1ulk n ASP 41 CO 0.00 0.00 0.00 0.22 -1.33 0.00 0.00 177.20 176.09 1ulk h TYR 42 N 4.02 0.99 -0.68 2.11 5.03 -1.80 -0.54 116.97 126.09 1ulk h TYR 42 Ca 0.00 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.34 1ulk h TYR 42 Cb 1.72 -0.30 0.00 0.00 1.55 0.00 0.00 36.73 39.71 1ulk h TYR 42 CO 0.94 0.26 0.00 0.09 -1.32 0.00 0.00 178.16 178.13 1ulk n ASN 43 N -4.77 4.55 -4.95 -2.11 3.02 -1.26 -4.76 115.26 104.98 1ulk n ASN 43 Ca 0.21 -2.32 -0.21 0.00 -0.03 0.00 0.00 54.58 52.23 1ulk n ASN 43 Cb 0.49 -0.56 -0.02 0.00 -0.61 0.00 0.00 39.78 39.08 1ulk n ASN 43 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1ulk s ARG 44 N -1.62 3.28 0.12 3.52 1.81 -0.21 -1.10 118.95 124.74 1ulk s ARG 44 Ca 0.51 -0.87 -0.25 0.00 -1.72 0.00 0.00 55.73 53.39 1ulk s ARG 44 Cb 0.31 -2.81 0.08 0.00 -0.45 0.00 0.00 34.95 32.08 1ulk s ARG 44 CO 0.27 0.34 1.07 0.00 -0.68 0.00 0.00 175.30 176.30 1ulk n GLY 46 N -0.56 -3.08 0.35 0.00 0.00 -0.83 -4.22 105.19 96.86 1ulk n GLY 46 Ca -0.05 -2.14 0.07 0.00 0.00 0.00 0.00 46.02 43.89 1ulk n GLY 46 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1ulk h LYS 47 N 1.40 0.74 -0.00 1.61 1.63 -1.90 0.18 116.57 120.24 1ulk h LYS 47 Ca 0.00 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 1ulk h LYS 47 Cb 0.00 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 31.46 1ulk h LYS 47 CO 0.00 0.49 0.00 0.39 -3.45 0.00 0.00 179.45 176.88 1ulk n GLU 48 N -4.48 1.02 -2.68 1.90 -0.58 -1.26 -3.77 120.64 110.79 1ulk n GLU 48 Ca 0.11 -0.02 -0.19 0.00 -0.42 0.00 0.00 57.16 56.64 1ulk n GLU 48 Cb 0.24 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.65 1ulk n GLU 48 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 1ulk n PHE 49 N -0.94 2.25 -1.23 -0.32 3.01 -0.18 -4.93 117.46 115.11 1ulk n PHE 49 Ca 0.22 -3.16 -0.08 0.00 1.01 0.00 0.00 57.45 55.45 1ulk n PHE 49 Cb 0.11 -0.28 -0.03 0.00 -0.01 0.00 0.00 39.48 39.27 1ulk n PHE 49 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ulk n GLY 50 N -0.21 0.83 2.33 1.37 0.00 -1.24 -2.10 105.19 106.18 1ulk n GLY 50 Ca 0.25 -0.08 -0.06 0.00 0.00 0.00 0.00 46.02 46.13 1ulk n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ulk n GLY 51 N -0.14 0.83 3.75 -0.02 0.00 0.47 -4.98 105.19 105.10 1ulk n GLY 51 Ca -0.08 -0.40 -0.37 0.00 0.00 0.00 0.00 46.02 45.16 1ulk n GLY 51 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ulk s LYS 52 N -2.17 3.14 0.17 1.61 -2.85 -0.89 -4.64 119.74 114.11 1ulk s LYS 52 Ca 0.00 2.01 0.04 0.00 -1.00 0.00 0.00 55.97 57.03 1ulk s LYS 52 Cb 0.00 -2.15 -0.04 0.00 -2.06 0.00 0.00 37.83 33.59 1ulk s LYS 52 CO 0.00 -1.12 0.21 -1.21 0.10 0.00 0.00 175.35 173.33 1ulk s GLU 53 N -3.04 3.13 0.60 1.78 2.02 -1.26 -1.95 118.70 119.97 1ulk s GLU 53 Ca 0.73 -0.78 -0.16 0.00 0.02 0.00 0.00 54.97 54.78 1ulk s GLU 53 Cb -0.35 -2.77 -0.03 0.00 0.10 0.00 0.00 34.13 31.08 1ulk s GLU 53 CO 0.40 0.49 1.06 0.00 0.02 0.00 0.00 175.26 177.23 1ulk s HIS 55 N -2.41 3.34 -1.71 0.00 -3.43 -1.26 -3.72 115.29 106.10 1ulk s HIS 55 Ca 0.64 1.36 0.00 0.00 -0.80 0.00 0.00 55.06 56.27 1ulk s HIS 55 Cb -0.17 -2.81 0.00 0.00 -1.43 0.00 0.00 32.58 28.17 1ulk s HIS 55 CO 0.37 -0.99 0.00 -0.25 -2.00 0.00 0.00 174.74 171.86 1ulk n ASP 56 N -2.95 -5.19 -1.72 7.38 8.00 -1.26 -2.25 116.55 118.55 1ulk n ASP 56 Ca 0.07 0.18 -0.17 0.00 0.71 0.00 0.00 54.79 55.58 1ulk n ASP 56 Cb 0.54 -4.44 -0.06 0.00 -0.02 0.00 0.00 41.12 37.14 1ulk n ASP 56 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1ulk n GLU 57 N -2.71 -1.51 -1.73 -1.24 1.02 -1.24 -4.95 120.64 108.28 1ulk n GLU 57 Ca -0.21 0.97 -0.34 0.00 -0.02 0.00 0.00 57.16 57.56 1ulk n GLU 57 Cb 0.65 -5.36 0.05 0.00 -0.02 0.00 0.00 31.44 26.76 1ulk n GLU 57 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1ulk s LEU 58 N -4.65 3.42 0.48 -4.62 1.43 -0.95 -4.72 118.68 109.07 1ulk s LEU 58 Ca 0.00 2.13 -0.20 0.00 -1.03 0.00 0.00 54.13 55.03 1ulk s LEU 58 Cb 0.00 -4.57 -0.09 0.00 0.03 0.00 0.00 46.19 41.57 1ulk s LEU 58 CO 0.00 -1.76 1.03 0.00 0.23 0.00 0.00 176.35 175.85 1ulk s SER 61 N 1.52 3.23 0.17 0.00 1.04 0.18 0.71 113.70 120.55 1ulk s SER 61 Ca 0.04 1.28 0.17 0.00 0.48 0.00 0.00 55.95 57.92 1ulk s SER 61 Cb -0.16 -1.94 0.78 0.00 0.10 0.00 0.00 66.02 64.80 1ulk s SER 61 CO 0.02 -2.77 1.52 0.00 0.98 0.00 0.00 173.24 173.00 1ulk n GLN 62 N -3.94 0.10 -0.51 4.02 10.64 -1.12 -1.20 117.38 125.37 1ulk n GLN 62 Ca 0.06 0.45 0.09 0.00 -1.83 0.00 0.00 57.00 55.77 1ulk n GLN 62 Cb 0.57 -1.75 0.30 0.00 -0.86 0.00 0.00 30.24 28.50 1ulk n GLN 62 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1ulk n TYR 63 N -1.96 1.20 -2.67 2.61 4.01 -1.26 -4.96 117.16 114.13 1ulk n TYR 63 Ca 0.01 -0.64 -0.12 0.00 -0.16 0.00 0.00 57.90 56.99 1ulk n TYR 63 Cb 0.13 -0.22 0.02 0.00 -0.31 0.00 0.00 39.34 38.96 1ulk n TYR 63 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ulk n GLY 64 N 0.69 0.07 3.37 2.72 0.00 -0.34 -4.97 105.19 106.73 1ulk n GLY 64 Ca 0.22 -0.31 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 1ulk n GLY 64 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ulk s TRP 65 N -2.88 2.40 0.07 1.61 0.52 -1.26 -1.78 118.94 117.62 1ulk s TRP 65 Ca 0.16 -0.37 -0.18 0.00 0.02 0.00 0.00 56.10 55.74 1ulk s TRP 65 Cb -0.07 -1.44 -0.07 0.00 -1.15 0.00 0.00 33.47 30.75 1ulk s TRP 65 CO 0.20 0.13 0.55 0.00 0.02 0.00 0.00 176.95 177.85 1ulk n GLY 67 N 1.59 -1.57 0.23 0.00 0.00 -0.60 -4.98 105.19 99.87 1ulk n GLY 67 Ca -0.10 -1.07 0.04 0.00 0.00 0.00 0.00 46.02 44.89 1ulk n GLY 67 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ulk n ASN 68 N 0.89 1.17 -4.90 1.61 0.23 -1.26 -1.33 115.26 111.67 1ulk n ASN 68 Ca 0.00 -2.38 -0.29 0.00 -0.53 0.00 0.00 54.58 51.38 1ulk n ASN 68 Cb 0.00 -0.26 0.08 0.00 -2.08 0.00 0.00 39.78 37.52 1ulk n ASN 68 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 1ulk s SER 69 N -1.71 4.67 0.61 0.53 1.04 -1.26 -4.79 113.70 112.79 1ulk s SER 69 Ca 0.14 0.83 0.39 0.00 0.48 0.00 0.00 55.95 57.79 1ulk s SER 69 Cb 0.12 -1.38 1.97 0.00 0.10 0.00 0.00 66.02 66.83 1ulk s SER 69 CO 0.01 -1.80 2.22 -0.78 0.98 0.00 0.00 173.24 173.87 1ulk h ASP 70 N -0.98 0.00 1.30 7.02 -0.00 -1.97 0.41 116.42 122.21 1ulk h ASP 70 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.57 1ulk h ASP 70 Cb 1.32 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.65 1ulk h ASP 70 CO 0.65 0.01 0.00 1.23 -0.00 0.00 0.00 179.24 181.14 1ulk h GLY 71 N 0.76 0.00 0.00 -0.78 0.00 -1.94 0.12 103.07 101.23 1ulk h GLY 71 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 47.33 46.93 1ulk h GLY 71 CO 0.00 0.00 -2.46 1.42 0.00 0.00 0.00 176.54 175.50 1ulk n HIS 72 N -2.78 0.00 0.41 5.60 8.25 -0.02 -4.59 115.22 122.09 1ulk n HIS 72 Ca 0.03 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.60 1ulk n HIS 72 Cb 0.37 -0.98 -0.00 0.00 1.12 0.00 0.00 29.99 30.50 1ulk n HIS 72 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ulk n GLY 74 N 1.32 0.99 3.65 0.00 0.00 0.42 -4.68 105.19 106.89 1ulk n GLY 74 Ca 0.01 -1.42 -0.48 0.00 0.00 0.00 0.00 46.02 44.13 1ulk n GLY 74 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ulk n GLU 75 N 0.00 1.85 -0.33 1.61 -0.58 -1.26 -1.62 120.64 120.31 1ulk n GLU 75 Ca 0.00 0.67 0.00 0.00 -0.42 0.00 0.00 57.16 57.41 1ulk n GLU 75 Cb 0.00 -2.41 0.00 0.00 -0.57 0.00 0.00 31.44 28.46 1ulk n GLU 75 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ulk n GLY 76 N 3.24 1.01 3.73 0.62 0.00 -1.26 -4.77 105.19 107.75 1ulk n GLY 76 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1ulk n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ulk h GLN 78 N 5.50 0.11 -2.83 0.00 4.20 0.07 -3.47 115.11 118.69 1ulk h GLN 78 Ca -0.45 -0.19 0.03 0.00 0.06 0.00 0.00 58.65 58.09 1ulk h GLN 78 Cb 1.22 0.07 -0.11 0.00 0.30 0.00 0.00 27.48 28.96 1ulk h GLN 78 CO 0.85 0.82 0.28 -1.54 -0.67 0.00 0.00 178.83 178.57 1ulk s SER 79 N -6.53 -0.46 -1.59 1.46 1.04 -1.25 -4.95 113.70 101.41 1ulk s SER 79 Ca -0.10 -0.12 -0.12 0.00 0.48 0.00 0.00 55.95 56.10 1ulk s SER 79 Cb 0.08 0.57 0.10 0.00 0.10 0.00 0.00 66.02 66.87 1ulk s SER 79 CO 0.82 -0.96 0.65 0.00 0.98 0.00 0.00 173.24 174.73 1ulk n GLN 80 N -0.37 -3.28 0.02 4.02 6.02 -1.26 -2.07 117.38 120.46 1ulk n GLN 80 Ca -0.13 0.39 0.11 0.00 -0.01 0.00 0.00 57.00 57.36 1ulk n GLN 80 Cb 0.63 -4.88 0.48 0.00 1.02 0.00 0.00 30.24 27.49 1ulk n GLN 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ulk n SER 82 N -1.61 3.88 -0.33 0.00 7.64 -1.26 -4.62 113.62 117.31 1ulk n SER 82 Ca 0.05 -3.00 0.16 0.00 1.01 0.00 0.00 58.87 57.10 1ulk n SER 82 Cb 0.28 -0.71 0.36 0.00 -1.01 0.00 0.00 64.21 63.13 1ulk n SER 82 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 1ulk h TYR 83 N 1.51 0.92 -0.01 1.43 5.03 -1.84 -1.65 116.97 122.36 1ulk h TYR 83 Ca 0.30 0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.65 1ulk h TYR 83 Cb 2.09 -0.26 0.00 0.00 1.55 0.00 0.00 36.73 40.11 1ulk h TYR 83 CO 1.03 0.05 -0.18 0.91 -1.32 0.00 0.00 178.16 178.65 1ulk n TRP 84 N -4.92 0.00 -3.97 -3.82 7.02 -1.26 -4.78 117.44 105.72 1ulk n TRP 84 Ca 0.25 0.00 -0.30 0.00 -1.02 0.00 0.00 57.50 56.43 1ulk n TRP 84 Cb 0.70 -0.09 -0.05 0.00 -2.42 0.00 0.00 31.31 29.46 1ulk n TRP 84 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1ulk s ARG 85 N -2.36 3.27 0.26 -0.99 1.81 -0.62 -0.34 118.95 119.97 1ulk s ARG 85 Ca 0.28 -0.55 -0.21 0.00 -1.72 0.00 0.00 55.73 53.53 1ulk s ARG 85 Cb 0.20 -2.93 0.05 0.00 -0.45 0.00 0.00 34.95 31.82 1ulk s ARG 85 CO 0.47 0.58 0.85 0.00 -0.68 0.00 0.00 175.30 176.52 1ulk n GLY 87 N -0.52 -1.88 0.36 0.00 0.00 -0.79 -4.40 105.19 97.97 1ulk n GLY 87 Ca -0.05 -1.90 0.09 0.00 0.00 0.00 0.00 46.02 44.15 1ulk n GLY 87 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1ulk h LYS 88 N 0.00 0.63 0.00 1.61 2.10 -1.91 0.31 116.57 119.31 1ulk h LYS 88 Ca 0.00 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 1ulk h LYS 88 Cb 0.00 -0.14 0.00 0.00 -0.90 0.00 0.00 32.23 31.19 1ulk h LYS 88 CO 0.00 0.42 0.00 -0.25 -2.00 0.00 0.00 179.45 177.62 1ulk n ASP 89 N -4.49 0.00 -2.90 7.07 10.43 -1.26 -3.91 116.55 121.48 1ulk n ASP 89 Ca 0.12 -0.85 -0.17 0.00 2.57 0.00 0.00 54.79 56.47 1ulk n ASP 89 Cb 0.33 -0.05 -0.01 0.00 1.84 0.00 0.00 41.12 43.24 1ulk n ASP 89 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 1ulk n PHE 90 N -1.05 1.39 -1.49 1.24 3.01 -0.09 -4.94 117.46 115.52 1ulk n PHE 90 Ca 0.22 -3.43 -0.17 0.00 1.01 0.00 0.00 57.45 55.08 1ulk n PHE 90 Cb 0.13 -0.38 -0.07 0.00 -0.01 0.00 0.00 39.48 39.15 1ulk n PHE 90 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ulk n GLY 91 N 0.01 1.64 2.28 1.37 0.00 -1.23 -1.68 105.19 107.58 1ulk n GLY 91 Ca 0.22 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.13 1ulk n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ulk n GLY 92 N -0.21 0.84 3.73 -0.02 0.00 0.89 -4.96 105.19 105.47 1ulk n GLY 92 Ca -0.17 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 44.91 1ulk n GLY 92 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1ulk n ARG 93 N -2.51 2.42 -3.89 1.61 0.63 -0.67 -4.61 116.66 109.64 1ulk n ARG 93 Ca -0.11 0.85 -0.36 0.00 -0.92 0.00 0.00 57.85 57.31 1ulk n ARG 93 Cb 0.41 -2.53 -0.06 0.00 0.45 0.00 0.00 32.46 30.74 1ulk n ARG 93 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1ulk s LEU 94 N -1.28 4.38 0.63 6.15 1.43 -1.26 -1.89 118.68 126.84 1ulk s LEU 94 Ca 0.57 0.43 -0.16 0.00 -1.03 0.00 0.00 54.13 53.94 1ulk s LEU 94 Cb -0.53 -2.23 -0.01 0.00 0.03 0.00 0.00 46.19 43.45 1ulk s LEU 94 CO 0.60 0.37 1.10 0.00 0.23 0.00 0.00 176.35 178.64 1ulk s THR 96 N -2.33 2.07 -1.34 0.00 -4.23 -1.26 -4.14 115.64 104.42 1ulk s THR 96 Ca 0.66 -0.21 0.00 0.00 -1.18 0.00 0.00 61.69 60.97 1ulk s THR 96 Cb -0.20 -2.87 0.00 0.00 1.34 0.00 0.00 72.50 70.78 1ulk s THR 96 CO 0.39 0.00 0.00 -0.62 -0.54 0.00 0.00 174.62 173.85 1ulk n GLU 97 N -3.37 -1.83 -2.31 3.99 -0.58 -1.26 -1.60 120.64 113.69 1ulk n GLU 97 Ca 0.14 0.75 -0.12 0.00 -0.42 0.00 0.00 57.16 57.51 1ulk n GLU 97 Cb 0.60 -5.25 -0.01 0.00 -0.57 0.00 0.00 31.44 26.21 1ulk n GLU 97 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1ulk n ASP 98 N -1.44 -3.85 -4.77 1.62 -0.08 -1.26 -4.93 116.55 101.84 1ulk n ASP 98 Ca -0.16 0.21 -0.35 0.00 -1.51 0.00 0.00 54.79 52.97 1ulk n ASP 98 Cb 0.58 -3.31 0.02 0.00 2.34 0.00 0.00 41.12 40.74 1ulk n ASP 98 CO 0.00 0.00 0.00 -0.04 0.12 0.00 0.00 177.20 177.28 1ulk s MET 99 N -4.79 3.18 0.36 -0.67 -1.94 -0.63 -4.89 119.30 109.92 1ulk s MET 99 Ca 0.00 1.65 -0.25 0.00 -1.71 0.00 0.00 55.69 55.37 1ulk s MET 99 Cb 0.00 -1.98 -0.09 0.00 2.01 0.00 0.00 34.83 34.77 1ulk s MET 99 CO 0.00 -1.00 1.02 0.00 -0.01 0.00 0.00 175.02 175.03 1ulk s SER 102 N 1.69 1.95 0.44 0.00 1.04 -0.30 0.06 113.70 118.58 1ulk s SER 102 Ca 0.06 0.97 0.16 0.00 0.48 0.00 0.00 55.95 57.61 1ulk s SER 102 Cb -0.17 -1.49 1.00 0.00 0.10 0.00 0.00 66.02 65.46 1ulk s SER 102 CO 0.09 -3.53 1.97 0.06 0.98 0.00 0.00 173.24 172.82 1ulk h GLN 103 N -2.17 0.00 -0.08 4.02 3.07 -1.81 -2.04 115.11 116.11 1ulk h GLN 103 Ca -0.52 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.22 1ulk h GLN 103 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.88 1ulk h GLN 103 CO 0.50 0.21 0.00 0.66 0.09 0.00 0.00 178.83 180.29 1ulk n TYR 104 N -4.20 0.10 -1.90 0.06 4.01 -1.26 -4.91 117.16 109.06 1ulk n TYR 104 Ca -0.02 -0.05 -0.00 0.00 -0.16 0.00 0.00 57.90 57.67 1ulk n TYR 104 Cb 0.27 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.30 1ulk n TYR 104 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ulk n GLY 105 N 0.93 0.37 3.33 2.72 0.00 -0.77 -4.99 105.19 106.78 1ulk n GLY 105 Ca 0.14 -0.91 -0.32 0.00 0.00 0.00 0.00 46.02 44.94 1ulk n GLY 105 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ulk s TRP 106 N -2.00 2.45 0.23 1.61 0.52 -1.26 -1.54 118.94 118.94 1ulk s TRP 106 Ca 0.00 -0.50 -0.30 0.00 0.02 0.00 0.00 56.10 55.33 1ulk s TRP 106 Cb 0.00 -1.57 -0.09 0.00 -1.15 0.00 0.00 33.47 30.67 1ulk s TRP 106 CO 0.00 -0.07 1.01 0.00 0.02 0.00 0.00 176.95 177.91 1ulk s GLY 108 N -0.82 -0.35 -0.13 0.00 0.00 -0.53 -4.97 107.32 100.52 1ulk s GLY 108 Ca 0.44 0.76 0.18 0.00 0.00 0.00 0.00 44.72 46.10 1ulk s GLY 108 CO 0.35 0.22 1.15 1.47 0.00 0.00 0.00 173.10 176.28 1ulk n LEU 109 N -0.34 2.35 -4.96 0.66 -0.00 -1.26 -1.25 117.00 112.20 1ulk n LEU 109 Ca -0.06 -3.06 -0.23 0.00 -0.00 0.00 0.00 56.01 52.66 1ulk n LEU 109 Cb 0.61 -0.42 0.02 0.00 -0.00 0.00 0.00 43.42 43.63 1ulk n LEU 109 CO 0.12 0.70 0.34 0.42 -0.00 0.00 0.00 177.39 178.97 1ulk s THR 110 N -2.83 3.50 0.13 1.47 -4.23 -1.26 -4.98 115.64 107.44 1ulk s THR 110 Ca 0.31 -0.50 -0.18 0.00 -1.18 0.00 0.00 61.69 60.13 1ulk s THR 110 Cb 0.27 -3.31 -0.04 0.00 1.34 0.00 0.00 72.50 70.77 1ulk s THR 110 CO 0.03 -0.23 1.79 0.44 -0.54 0.00 0.00 174.62 176.11 1ulk h ASP 111 N 0.22 0.33 0.04 3.99 3.45 -1.97 -1.91 116.42 120.57 1ulk h ASP 111 Ca -0.45 -0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.00 1ulk h ASP 111 Cb 1.27 -0.08 0.00 0.00 -0.56 0.00 0.00 39.33 39.96 1ulk h ASP 111 CO 0.56 0.25 0.00 -0.90 -1.57 0.00 0.00 179.24 177.58 1ulk n ASP 112 N -4.88 0.33 -0.04 6.45 5.68 -1.26 0.89 116.55 123.72 1ulk n ASP 112 Ca -0.02 0.65 -0.06 0.00 -0.50 0.00 0.00 54.79 54.87 1ulk n ASP 112 Cb 0.03 -0.70 -0.14 0.00 -1.14 0.00 0.00 41.12 39.18 1ulk n ASP 112 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1ulk n HIS 113 N -1.94 0.54 0.72 2.11 8.25 -0.75 -4.36 115.22 119.78 1ulk n HIS 113 Ca -0.01 0.19 0.09 0.00 -0.26 0.00 0.00 57.72 57.73 1ulk n HIS 113 Cb 0.03 -1.04 -0.11 0.00 1.12 0.00 0.00 29.99 29.99 1ulk n HIS 113 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ulk n GLU 115 N -1.55 1.21 -1.72 0.00 4.07 0.26 -4.63 120.64 118.27 1ulk n GLU 115 Ca 0.02 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 56.70 1ulk n GLU 115 Cb 0.32 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 31.67 1ulk n GLU 115 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 1ulk s ASP 116 N -1.16 6.45 0.00 4.31 2.15 -1.26 -2.47 116.67 124.69 1ulk s ASP 116 Ca 0.00 2.71 0.00 0.00 0.43 0.00 0.00 52.55 55.69 1ulk s ASP 116 Cb 0.00 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 40.06 1ulk s ASP 116 CO 0.00 -1.01 0.00 0.61 -0.17 0.00 0.00 175.17 174.60 1ulk n GLY 117 N 4.30 0.89 3.69 2.66 0.00 -1.26 -4.64 105.19 110.83 1ulk n GLY 117 Ca 0.18 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.76 1ulk n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ulk h GLN 119 N 6.68 0.14 -2.34 0.00 4.20 -0.57 -3.48 115.11 119.74 1ulk h GLN 119 Ca -0.45 -0.25 0.06 0.00 0.06 0.00 0.00 58.65 58.07 1ulk h GLN 119 Cb 1.24 0.09 -0.16 0.00 0.30 0.00 0.00 27.48 28.95 1ulk h GLN 119 CO 0.92 0.97 0.40 -1.54 -0.67 0.00 0.00 178.83 178.91 1ulk s SER 120 N -6.74 -0.44 -1.36 1.46 1.04 -1.25 -4.97 113.70 101.42 1ulk s SER 120 Ca -0.06 0.12 -0.02 0.00 0.48 0.00 0.00 55.95 56.47 1ulk s SER 120 Cb 0.08 0.44 -0.00 0.00 0.10 0.00 0.00 66.02 66.64 1ulk s SER 120 CO 0.84 -0.67 0.50 0.00 0.98 0.00 0.00 173.24 174.89 1ulk n GLN 121 N -0.05 -3.44 -0.01 4.02 6.02 -1.26 -2.05 117.38 120.61 1ulk n GLN 121 Ca -0.12 0.45 0.13 0.00 -0.01 0.00 0.00 57.00 57.46 1ulk n GLN 121 Cb 0.62 -4.62 0.69 0.00 1.02 0.00 0.00 30.24 27.95 1ulk n GLN 121 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ulk s ASP 123 N -1.86 6.43 -0.27 0.00 1.47 -1.26 -4.86 116.67 116.32 1ulk s ASP 123 Ca 0.39 2.74 -0.13 0.00 1.18 0.00 0.00 52.55 56.73 1ulk s ASP 123 Cb 0.19 -2.55 0.09 0.00 -0.34 0.00 0.00 42.92 40.31 1ulk s ASP 123 CO 0.32 -1.03 0.63 -0.22 0.68 0.00 0.00 175.17 175.55 1ulk s LEU 124 N 3.31 -0.88 0.43 2.11 1.98 -1.26 -4.95 118.68 119.42 1ulk s LEU 124 Ca 0.84 1.43 -0.25 0.00 -2.89 0.00 0.00 54.13 53.25 1ulk s LEU 124 Cb -0.45 2.18 -0.09 0.00 0.66 0.00 0.00 46.19 48.48 1ulk s LEU 124 CO 0.38 -0.23 1.33 -0.81 -1.89 0.00 0.00 176.35 175.13 1ulk n PRO 125 N 4.70 2.06 0.00 0.98 -0.04 -1.26 -5.15 135.00 136.28 1ulk n PRO 125 Ca -0.17 0.73 0.00 0.00 -0.04 0.00 0.00 63.50 64.02 1ulk n PRO 125 Cb 0.55 -2.47 0.00 0.00 -0.04 0.00 0.00 33.50 31.54 1ulk n PRO 125 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09