#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lwr s GLY 2 N 0.00 2.43 1.15 0.00 0.00 -1.26 -4.64 107.32 105.00 1lwr s GLY 2 Ca 0.00 -1.70 -0.17 0.00 0.00 0.00 0.00 44.72 42.85 1lwr s GLY 2 CO 0.00 -1.95 1.08 2.56 0.00 0.00 0.00 173.10 174.79 1lwr s PRO 3 N -3.99 -0.82 0.22 2.90 0.04 -1.25 -4.97 135.00 127.13 1lwr s PRO 3 Ca 0.35 0.23 0.05 0.00 0.04 0.00 0.00 61.00 61.67 1lwr s PRO 3 Cb 0.02 -1.62 -0.03 0.00 0.04 0.00 0.00 34.50 32.91 1lwr s PRO 3 CO 0.20 -3.51 0.30 -1.12 0.04 0.00 0.00 177.00 172.91 1lwr s SER 4 N -3.54 6.11 0.63 6.66 0.01 -0.56 -4.45 113.70 118.56 1lwr s SER 4 Ca 0.69 0.01 -0.18 0.00 1.31 0.00 0.00 55.95 57.77 1lwr s SER 4 Cb -0.15 -1.75 -0.02 0.00 0.21 0.00 0.00 66.02 64.31 1lwr s SER 4 CO 0.58 -0.03 1.26 0.00 0.41 0.00 0.00 173.24 175.45 1lwr n ALA 5 N -1.14 1.08 -1.29 1.44 0.00 -1.26 -4.75 120.51 114.58 1lwr n ALA 5 Ca -0.08 0.01 -0.29 0.00 0.00 0.00 0.00 53.44 53.08 1lwr n ALA 5 Cb 0.56 -2.30 0.18 0.00 0.00 0.00 0.00 19.45 17.89 1lwr n ALA 5 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1lwr s PRO 6 N -3.25 0.25 -0.14 0.00 0.04 -1.26 -4.88 135.00 125.76 1lwr s PRO 6 Ca 0.81 0.27 -0.04 0.00 0.04 0.00 0.00 61.00 62.07 1lwr s PRO 6 Cb -0.39 -1.74 -0.03 0.00 0.04 0.00 0.00 34.50 32.38 1lwr s PRO 6 CO 0.42 -2.80 0.02 0.15 0.04 0.00 0.00 177.00 174.83 1lwr s LYS 7 N -5.20 3.51 -0.32 4.56 1.02 -0.26 -4.65 119.74 118.41 1lwr s LYS 7 Ca 0.67 -0.40 -0.07 0.00 0.02 0.00 0.00 55.97 56.18 1lwr s LYS 7 Cb -0.15 -2.98 0.02 0.00 -0.52 0.00 0.00 37.83 34.20 1lwr s LYS 7 CO 0.56 0.45 0.10 -0.51 -0.92 0.00 0.00 175.35 175.03 1lwr s LEU 8 N -0.16 4.12 0.04 3.17 1.43 -1.26 -0.66 118.68 125.36 1lwr s LEU 8 Ca 0.05 -0.91 -0.15 0.00 -1.03 0.00 0.00 54.13 52.10 1lwr s LEU 8 Cb -0.12 -1.89 -0.06 0.00 0.03 0.00 0.00 46.19 44.15 1lwr s LEU 8 CO 0.02 -0.26 0.45 -0.70 0.23 0.00 0.00 176.35 176.08 1lwr s GLU 9 N 1.47 3.94 -0.25 1.70 2.12 -0.52 -4.88 118.70 122.27 1lwr s GLU 9 Ca 0.01 0.43 -0.09 0.00 0.36 0.00 0.00 54.97 55.68 1lwr s GLU 9 Cb -0.18 -3.15 -0.04 0.00 0.26 0.00 0.00 34.13 31.02 1lwr s GLU 9 CO 0.03 0.64 0.13 0.20 -0.54 0.00 0.00 175.26 175.71 1lwr s GLY 10 N -1.27 1.87 -0.15 -1.50 0.00 -1.26 -0.97 107.32 104.04 1lwr s GLY 10 Ca 0.28 -1.04 0.01 0.00 0.00 0.00 0.00 44.72 43.97 1lwr s GLY 10 CO 0.16 0.50 -0.18 1.20 0.00 0.00 0.00 173.10 174.78 1lwr s GLN 11 N 1.45 2.67 -0.14 2.90 -0.21 -0.64 -5.02 119.66 120.66 1lwr s GLN 11 Ca 0.06 -0.71 -0.05 0.00 0.02 0.00 0.00 55.36 54.68 1lwr s GLN 11 Cb -0.15 -2.30 -0.04 0.00 1.00 0.00 0.00 33.01 31.52 1lwr s GLN 11 CO 0.06 -0.17 0.04 1.41 -2.12 0.00 0.00 175.29 174.52 1lwr s MET 12 N 1.23 3.58 0.29 2.91 1.75 -1.26 -0.96 119.30 126.84 1lwr s MET 12 Ca 0.01 -0.35 -0.11 0.00 -1.25 0.00 0.00 55.69 53.99 1lwr s MET 12 Cb -0.14 -3.05 -0.08 0.00 2.84 0.00 0.00 34.83 34.40 1lwr s MET 12 CO -0.09 0.46 0.64 0.20 -0.65 0.00 0.00 175.02 175.58 1lwr s GLY 13 N -0.18 2.23 0.00 2.11 0.00 0.25 -4.92 107.32 106.81 1lwr s GLY 13 Ca 0.07 -0.17 0.00 0.00 0.00 0.00 0.00 44.72 44.61 1lwr s GLY 13 CO 0.02 -0.01 0.18 -1.84 0.00 0.00 0.00 173.10 171.45 1lwr n GLU 14 N -0.41 0.19 0.19 2.90 0.28 -1.26 -1.72 120.64 120.80 1lwr n GLU 14 Ca 0.02 0.00 0.08 0.00 -0.16 0.00 0.00 57.16 57.10 1lwr n GLU 14 Cb 0.53 -1.01 0.12 0.00 1.43 0.00 0.00 31.44 32.51 1lwr n GLU 14 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 1lwr h ASP 15 N 0.06 0.00 0.00 -1.84 3.32 -1.91 -3.48 116.42 112.57 1lwr h ASP 15 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1lwr h ASP 15 Cb 0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.56 1lwr h ASP 15 CO 0.00 0.22 0.00 0.61 -1.72 0.00 0.00 179.24 178.35 1lwr n GLY 16 N 1.13 3.35 0.00 2.75 0.00 -0.70 -4.69 105.19 107.03 1lwr n GLY 16 Ca 0.03 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.10 1lwr n GLY 16 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1lwr n ASN 17 N 0.32 1.04 -4.64 1.61 0.23 -1.26 -1.55 115.26 111.00 1lwr n ASN 17 Ca 0.00 -1.45 -0.43 0.00 -0.53 0.00 0.00 54.58 52.17 1lwr n ASN 17 Cb 0.00 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 37.68 1lwr n ASN 17 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 1lwr s SER 18 N -0.45 6.70 -0.13 0.53 0.15 -1.26 -4.35 113.70 114.89 1lwr s SER 18 Ca 0.00 1.60 0.02 0.00 0.70 0.00 0.00 55.95 58.26 1lwr s SER 18 Cb 0.00 -2.54 -0.01 0.00 -1.71 0.00 0.00 66.02 61.77 1lwr s SER 18 CO 0.00 -0.99 -0.18 -0.63 1.20 0.00 0.00 173.24 172.64 1lwr s ILE 19 N 4.22 2.55 -0.16 6.45 -1.09 0.12 -0.59 121.20 132.70 1lwr s ILE 19 Ca 0.61 -0.83 -0.01 0.00 -2.23 0.00 0.00 60.65 58.19 1lwr s ILE 19 Cb -0.22 -2.04 -0.01 0.00 -1.58 0.00 0.00 42.46 38.61 1lwr s ILE 19 CO 0.22 0.54 -0.11 -0.75 -1.23 0.00 0.00 174.94 173.61 1lwr s LYS 20 N 0.48 3.36 -0.36 2.79 2.20 -0.14 -1.50 119.74 126.57 1lwr s LYS 20 Ca -0.12 -0.67 -0.10 0.00 -0.36 0.00 0.00 55.97 54.72 1lwr s LYS 20 Cb -0.16 -2.76 0.03 0.00 -1.51 0.00 0.00 37.83 33.43 1lwr s LYS 20 CO 0.05 0.04 0.18 0.08 -0.36 0.00 0.00 175.35 175.34 1lwr s VAL 21 N 0.80 4.35 -0.10 4.02 1.01 0.25 -1.63 120.40 129.11 1lwr s VAL 21 Ca -0.04 -0.93 -0.22 0.00 0.00 0.00 0.00 61.98 60.79 1lwr s VAL 21 Cb -0.15 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 1lwr s VAL 21 CO 0.01 -0.22 0.64 0.21 0.00 0.00 0.00 175.10 175.75 1lwr s ASN 22 N 1.51 6.88 -0.53 3.32 3.84 -0.14 -1.01 114.94 128.82 1lwr s ASN 22 Ca 0.01 1.06 -0.16 0.00 0.21 0.00 0.00 52.86 53.98 1lwr s ASN 22 Cb -0.19 -2.38 0.12 0.00 -0.55 0.00 0.00 41.25 38.25 1lwr s ASN 22 CO 0.06 -0.11 0.49 -0.76 -2.79 0.00 0.00 177.10 173.98 1lwr s LEU 23 N 0.92 6.04 -0.15 3.21 1.43 -0.04 -1.44 118.68 128.66 1lwr s LEU 23 Ca 0.34 -1.68 -0.17 0.00 -1.03 0.00 0.00 54.13 51.58 1lwr s LEU 23 Cb -0.17 -2.21 -0.04 0.00 0.03 0.00 0.00 46.19 43.80 1lwr s LEU 23 CO 0.15 -0.84 0.43 -0.63 0.23 0.00 0.00 176.35 175.70 1lwr s ILE 24 N 1.67 5.21 0.02 -0.59 -1.09 0.16 -4.84 121.20 121.74 1lwr s ILE 24 Ca 0.04 0.84 -0.01 0.00 -2.23 0.00 0.00 60.65 59.28 1lwr s ILE 24 Cb -0.29 -3.77 -0.04 0.00 -1.58 0.00 0.00 42.46 36.78 1lwr s ILE 24 CO 0.04 0.31 0.17 -0.54 -1.23 0.00 0.00 174.94 173.69 1lwr s LYS 25 N 0.78 3.33 0.00 2.79 1.02 -1.26 -1.10 119.74 125.30 1lwr s LYS 25 Ca 0.23 -0.42 0.00 0.00 0.02 0.00 0.00 55.97 55.80 1lwr s LYS 25 Cb -0.15 -3.01 0.00 0.00 -0.52 0.00 0.00 37.83 34.15 1lwr s LYS 25 CO 0.09 0.64 0.00 0.00 -0.92 0.00 0.00 175.35 175.16 1lwr n GLN 26 N 0.74 0.00 -3.69 1.68 0.00 -1.26 -4.99 117.38 109.86 1lwr n GLN 26 Ca -0.09 0.00 -0.39 0.00 0.00 0.00 0.00 57.00 56.52 1lwr n GLN 26 Cb 0.52 0.00 -0.12 0.00 0.00 0.00 0.00 30.24 30.64 1lwr n GLN 26 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1lwr s ASP 27 N 1.00 5.49 0.00 2.61 2.15 -1.26 -4.81 116.67 121.84 1lwr s ASP 27 Ca 0.00 -1.13 0.00 0.00 0.43 0.00 0.00 52.55 51.85 1lwr s ASP 27 Cb 0.00 -1.93 0.00 0.00 -0.30 0.00 0.00 42.92 40.69 1lwr s ASP 27 CO 0.00 -0.37 0.00 0.47 -0.17 0.00 0.00 175.17 175.10 1lwr n ASP 28 N 4.88 1.45 0.00 -0.34 8.00 -1.26 -1.49 116.55 127.79 1lwr n ASP 28 Ca -0.12 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.38 1lwr n ASP 28 Cb 0.45 0.09 0.00 0.00 -0.02 0.00 0.00 41.12 41.64 1lwr n ASP 28 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1lwr n GLY 29 N 1.68 0.75 0.83 0.44 0.00 -1.26 -4.33 105.19 103.29 1lwr n GLY 29 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1lwr n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lwr n GLY 30 N 0.00 0.80 3.94 -0.02 0.00 -1.26 -4.38 105.19 104.27 1lwr n GLY 30 Ca 0.00 -0.45 -0.40 0.00 0.00 0.00 0.00 46.02 45.17 1lwr n GLY 30 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1lwr n SER 31 N 0.83 -4.57 -2.07 1.61 7.64 -1.26 -4.82 113.62 110.98 1lwr n SER 31 Ca 0.00 -1.18 -0.17 0.00 1.01 0.00 0.00 58.87 58.53 1lwr n SER 31 Cb 0.02 -2.10 -0.05 0.00 -1.01 0.00 0.00 64.21 61.07 1lwr n SER 31 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1lwr n PRO 32 N -4.51 1.94 -2.94 1.43 -0.04 -1.26 -4.96 135.00 124.66 1lwr n PRO 32 Ca -0.13 -1.49 -0.34 0.00 -0.04 0.00 0.00 63.50 61.50 1lwr n PRO 32 Cb 0.58 -1.80 -0.07 0.00 -0.04 0.00 0.00 33.50 32.18 1lwr n PRO 32 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1lwr s ILE 33 N -1.25 4.47 -0.22 0.52 -1.09 -1.26 -1.37 121.20 121.01 1lwr s ILE 33 Ca 0.44 1.34 0.01 0.00 -2.23 0.00 0.00 60.65 60.21 1lwr s ILE 33 Cb 0.27 -3.68 0.05 0.00 -1.58 0.00 0.00 42.46 37.53 1lwr s ILE 33 CO -0.08 -0.17 -0.07 -0.13 -1.23 0.00 0.00 174.94 173.26 1lwr s ARG 34 N -2.86 1.73 0.00 2.79 0.52 0.12 -4.72 118.95 116.53 1lwr s ARG 34 Ca 0.56 -0.94 0.00 0.00 -0.52 0.00 0.00 55.73 54.83 1lwr s ARG 34 Cb -0.11 -2.52 0.00 0.00 0.52 0.00 0.00 34.95 32.83 1lwr s ARG 34 CO 0.16 -0.55 0.00 -2.39 0.02 0.00 0.00 175.30 172.55 1lwr n HIS 35 N 4.68 -0.80 -4.14 -0.53 1.44 -1.26 -1.78 115.22 112.82 1lwr n HIS 35 Ca -0.13 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.46 1lwr n HIS 35 Cb 0.45 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.45 1lwr n HIS 35 CO 0.00 0.00 0.00 0.71 -2.81 0.00 0.00 176.34 174.24 1lwr s TYR 36 N -0.10 0.88 -0.30 -1.40 2.02 -1.26 -3.19 117.35 114.00 1lwr s TYR 36 Ca 0.00 -0.74 -0.03 0.00 -0.37 0.00 0.00 57.07 55.93 1lwr s TYR 36 Cb 0.00 -0.51 0.04 0.00 -0.40 0.00 0.00 41.96 41.09 1lwr s TYR 36 CO 0.00 -0.09 0.02 -0.51 -1.57 0.00 0.00 175.55 173.40 1lwr s LEU 37 N -2.52 3.87 -0.16 -1.29 1.43 0.63 -1.01 118.68 119.63 1lwr s LEU 37 Ca 0.05 -1.10 -0.00 0.00 -1.03 0.00 0.00 54.13 52.04 1lwr s LEU 37 Cb -0.01 -1.76 -0.00 0.00 0.03 0.00 0.00 46.19 44.45 1lwr s LEU 37 CO -0.02 -0.24 -0.14 -0.69 0.23 0.00 0.00 176.35 175.48 1lwr s VAL 38 N 1.33 2.75 -0.01 -1.59 1.01 -0.35 -0.97 120.40 122.57 1lwr s VAL 38 Ca -0.03 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.23 1lwr s VAL 38 Cb -0.19 -2.17 0.00 0.00 0.00 0.00 0.00 36.38 34.02 1lwr s VAL 38 CO -0.00 0.51 -0.04 -0.75 0.00 0.00 0.00 175.10 174.82 1lwr s LYS 39 N 0.88 0.37 0.05 2.72 2.20 -0.68 -1.39 119.74 123.88 1lwr s LYS 39 Ca -0.04 -0.12 -0.04 0.00 -0.36 0.00 0.00 55.97 55.41 1lwr s LYS 39 Cb -0.15 -0.38 -0.02 0.00 -1.51 0.00 0.00 37.83 35.77 1lwr s LYS 39 CO -0.01 0.05 0.06 1.52 -0.36 0.00 0.00 175.35 176.62 1lwr s TYR 40 N 0.10 0.29 0.24 4.03 1.13 -1.26 -0.63 117.35 121.26 1lwr s TYR 40 Ca -0.01 -0.69 0.01 0.00 -1.41 0.00 0.00 57.07 54.98 1lwr s TYR 40 Cb -0.04 -0.21 -0.05 0.00 -1.10 0.00 0.00 41.96 40.56 1lwr s TYR 40 CO -0.00 -0.39 0.08 -0.98 -2.51 0.00 0.00 175.55 171.75 1lwr s ARG 41 N -3.12 1.34 0.36 -3.49 1.70 0.02 -1.14 118.95 114.61 1lwr s ARG 41 Ca -0.01 -1.71 0.04 0.00 -0.47 0.00 0.00 55.73 53.58 1lwr s ARG 41 Cb 0.02 -0.25 -0.05 0.00 -0.57 0.00 0.00 34.95 34.10 1lwr s ARG 41 CO -0.07 -0.26 0.06 0.00 -1.08 0.00 0.00 175.30 173.95 1lwr s ALA 42 N -3.75 2.66 -0.07 7.88 0.00 -0.39 -0.88 121.76 127.21 1lwr s ALA 42 Ca 0.35 -1.80 0.00 0.00 0.00 0.00 0.00 51.96 50.51 1lwr s ALA 42 Cb 0.07 0.60 0.00 0.00 0.00 0.00 0.00 23.12 23.79 1lwr s ALA 42 CO 0.12 -0.28 0.57 1.47 0.00 0.00 0.00 175.76 177.63 1lwr n LEU 43 N -0.79 1.69 0.12 0.00 -0.00 -0.61 -3.53 117.00 113.87 1lwr n LEU 43 Ca -0.04 -0.84 0.00 0.00 -0.00 0.00 0.00 56.01 55.12 1lwr n LEU 43 Cb 0.66 -0.29 0.00 0.00 -0.00 0.00 0.00 43.42 43.79 1lwr n LEU 43 CO 0.41 0.28 -0.01 0.00 -0.00 0.00 0.00 177.39 178.08 1lwr n ALA 44 N 0.67 3.00 -2.38 1.47 0.00 -1.26 -5.00 120.51 117.02 1lwr n ALA 44 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 1lwr n ALA 44 Cb 0.28 0.05 -0.10 0.00 0.00 0.00 0.00 19.45 19.68 1lwr n ALA 44 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1lwr s SER 45 N -5.15 2.55 0.37 0.00 0.01 -1.23 -5.16 113.70 105.09 1lwr s SER 45 Ca 0.00 -0.98 0.07 0.00 1.31 0.00 0.00 55.95 56.35 1lwr s SER 45 Cb 0.00 -0.14 -0.01 0.00 0.21 0.00 0.00 66.02 66.09 1lwr s SER 45 CO 0.00 -0.14 0.47 -1.83 0.41 0.00 0.00 173.24 172.14 1lwr s GLU 46 N -3.43 2.93 0.00 12.44 -1.05 -1.26 -1.27 118.70 127.07 1lwr s GLU 46 Ca 0.20 -1.16 0.00 0.00 -0.15 0.00 0.00 54.97 53.86 1lwr s GLU 46 Cb -0.02 -2.72 0.00 0.00 -0.44 0.00 0.00 34.13 30.95 1lwr s GLU 46 CO 0.07 -0.05 0.00 0.91 0.95 0.00 0.00 175.26 177.14 1lwr n TRP 47 N -1.66 0.00 -1.46 4.83 5.03 -1.24 -4.89 117.44 118.05 1lwr n TRP 47 Ca 0.02 0.00 -0.29 0.00 3.03 0.00 0.00 57.50 60.26 1lwr n TRP 47 Cb 0.59 0.00 0.12 0.00 -1.03 0.00 0.00 31.31 30.99 1lwr n TRP 47 CO 0.00 0.00 0.00 0.15 -0.03 0.00 0.00 177.69 177.81 1lwr s LYS 48 N 0.00 1.43 -0.81 -0.99 3.01 -0.29 -4.84 119.74 117.25 1lwr s LYS 48 Ca 0.00 0.52 -0.27 0.00 -1.01 0.00 0.00 55.97 55.21 1lwr s LYS 48 Cb 0.00 -1.85 -0.17 0.00 -1.01 0.00 0.00 37.83 34.79 1lwr s LYS 48 CO 0.00 -2.04 2.54 -2.30 0.51 0.00 0.00 175.35 174.05 1lwr n PRO 49 N -3.70 0.39 -1.11 -1.68 -0.02 -1.26 -4.63 135.00 122.98 1lwr n PRO 49 Ca 0.07 -0.05 -0.29 0.00 -2.02 0.00 0.00 63.50 61.20 1lwr n PRO 49 Cb 0.57 -2.26 0.21 0.00 -0.02 0.00 0.00 33.50 32.01 1lwr n PRO 49 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1lwr s GLU 50 N 8.58 -0.57 0.04 -0.52 -1.05 -1.26 -4.99 118.70 118.92 1lwr s GLU 50 Ca 1.20 0.17 -0.00 0.00 -0.15 0.00 0.00 54.97 56.19 1lwr s GLU 50 Cb -0.78 -1.65 -0.03 0.00 -0.44 0.00 0.00 34.13 31.23 1lwr s GLU 50 CO 0.39 -3.33 -0.04 -1.50 0.95 0.00 0.00 175.26 171.74 1lwr s ILE 51 N -2.99 0.25 -0.08 1.83 2.07 -0.49 -5.02 121.20 116.78 1lwr s ILE 51 Ca 0.69 -1.38 0.02 0.00 -1.41 0.00 0.00 60.65 58.57 1lwr s ILE 51 Cb -0.14 -0.93 -0.02 0.00 0.13 0.00 0.00 42.46 41.50 1lwr s ILE 51 CO 0.57 -0.72 -0.12 -0.60 -1.91 0.00 0.00 174.94 172.15 1lwr s ARG 52 N -2.67 2.81 0.60 3.50 3.52 -1.26 -1.21 118.95 124.24 1lwr s ARG 52 Ca -0.04 -0.66 -0.05 0.00 -0.13 0.00 0.00 55.73 54.85 1lwr s ARG 52 Cb -0.01 -2.50 0.02 0.00 -1.56 0.00 0.00 34.95 30.90 1lwr s ARG 52 CO -0.05 0.51 0.89 -0.51 -0.81 0.00 0.00 175.30 175.33 1lwr s LEU 53 N -0.43 3.18 0.22 -0.88 1.43 -0.18 -4.95 118.68 117.07 1lwr s LEU 53 Ca 0.05 0.54 -0.28 0.00 -1.03 0.00 0.00 54.13 53.41 1lwr s LEU 53 Cb -0.12 -3.33 -0.09 0.00 0.03 0.00 0.00 46.19 42.68 1lwr s LEU 53 CO 0.02 -1.16 0.89 -2.16 0.23 0.00 0.00 176.35 174.17 1lwr s PRO 54 N -4.98 4.76 0.28 1.29 0.04 -1.26 -4.27 135.00 130.86 1lwr s PRO 54 Ca 0.55 1.38 -0.30 0.00 0.04 0.00 0.00 61.00 62.67 1lwr s PRO 54 Cb -0.10 -3.27 -0.11 0.00 0.04 0.00 0.00 34.50 31.06 1lwr s PRO 54 CO 0.44 0.54 1.53 0.45 0.04 0.00 0.00 177.00 179.99 1lwr s SER 55 N -1.17 6.49 0.00 6.66 0.15 -1.26 -3.41 113.70 121.15 1lwr s SER 55 Ca 0.39 2.84 0.00 0.00 0.70 0.00 0.00 55.95 59.88 1lwr s SER 55 Cb -0.25 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.43 1lwr s SER 55 CO 0.30 -0.82 0.00 0.61 1.20 0.00 0.00 173.24 174.53 1lwr n GLY 56 N 2.11 0.90 3.99 9.45 0.00 -1.26 -4.83 105.19 115.54 1lwr n GLY 56 Ca 0.07 -0.17 -0.19 0.00 0.00 0.00 0.00 46.02 45.73 1lwr n GLY 56 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1lwr s SER 57 N -2.14 5.60 -0.07 1.61 0.01 -1.22 -5.05 113.70 112.44 1lwr s SER 57 Ca 0.00 -0.17 -0.02 0.00 1.31 0.00 0.00 55.95 57.07 1lwr s SER 57 Cb 0.00 -0.92 -0.04 0.00 0.21 0.00 0.00 66.02 65.28 1lwr s SER 57 CO 0.00 -0.83 -0.08 -0.67 0.41 0.00 0.00 173.24 172.07 1lwr n ASP 58 N -2.00 1.76 -4.00 2.44 2.03 -1.26 -4.96 116.55 110.54 1lwr n ASP 58 Ca 0.06 0.04 -0.10 0.00 0.52 0.00 0.00 54.79 55.31 1lwr n ASP 58 Cb 0.59 -0.18 -0.07 0.00 -0.72 0.00 0.00 41.12 40.75 1lwr n ASP 58 CO 0.00 0.00 0.00 -1.38 -1.92 0.00 0.00 177.20 173.90 1lwr s HIS 59 N -2.14 0.49 0.12 -0.67 -3.43 -1.26 -0.86 115.29 107.54 1lwr s HIS 59 Ca -0.10 -0.83 0.10 0.00 -0.80 0.00 0.00 55.06 53.43 1lwr s HIS 59 Cb 0.03 -0.05 -0.04 0.00 -1.43 0.00 0.00 32.58 31.10 1lwr s HIS 59 CO 0.15 -0.80 -0.25 0.54 -2.00 0.00 0.00 174.74 172.38 1lwr s VAL 60 N -4.01 2.39 0.05 -5.38 0.11 -0.18 -4.95 120.40 108.44 1lwr s VAL 60 Ca 0.22 -1.65 0.04 0.00 -2.93 0.00 0.00 61.98 57.66 1lwr s VAL 60 Cb 0.03 -2.05 -0.02 0.00 -1.53 0.00 0.00 36.38 32.80 1lwr s VAL 60 CO 0.05 0.13 -0.12 0.00 -3.33 0.00 0.00 175.10 171.83 1lwr s MET 61 N -1.97 0.73 0.00 1.54 0.23 -1.26 -0.58 119.30 117.98 1lwr s MET 61 Ca 0.15 -0.80 0.00 0.00 -1.03 0.00 0.00 55.69 54.01 1lwr s MET 61 Cb -0.10 -0.66 -0.00 0.00 -1.53 0.00 0.00 34.83 32.54 1lwr s MET 61 CO 0.06 0.15 -0.01 -0.48 -2.03 0.00 0.00 175.02 172.71 1lwr s LEU 62 N -1.45 2.01 0.09 0.18 0.05 -0.56 -5.03 118.68 113.97 1lwr s LEU 62 Ca -0.03 -0.04 -0.02 0.00 0.05 0.00 0.00 54.13 54.09 1lwr s LEU 62 Cb -0.09 -0.06 -0.04 0.00 -2.05 0.00 0.00 46.19 43.95 1lwr s LEU 62 CO 0.01 0.00 0.03 -0.54 -0.55 0.00 0.00 176.35 175.30 1lwr s LYS 63 N -0.09 0.77 -0.52 1.48 1.02 -1.26 -0.71 119.74 120.43 1lwr s LYS 63 Ca -0.00 -1.30 -0.01 0.00 0.02 0.00 0.00 55.97 54.68 1lwr s LYS 63 Cb -0.01 0.23 0.00 0.00 -0.52 0.00 0.00 37.83 37.54 1lwr s LYS 63 CO -0.00 -0.19 0.44 0.43 -0.92 0.00 0.00 175.35 175.11 1lwr n SER 64 N 0.01 -2.67 -3.68 2.83 7.64 -1.26 -5.01 113.62 111.48 1lwr n SER 64 Ca -0.10 -0.25 -0.14 0.00 1.01 0.00 0.00 58.87 59.40 1lwr n SER 64 Cb 0.62 -2.41 0.06 0.00 -1.01 0.00 0.00 64.21 61.47 1lwr n SER 64 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1lwr n LEU 65 N -2.33 0.00 -4.82 -3.43 7.99 -1.26 -5.08 117.00 108.07 1lwr n LEU 65 Ca -0.08 -1.41 -0.35 0.00 -0.01 0.00 0.00 56.01 54.16 1lwr n LEU 65 Cb 0.55 -0.35 -0.06 0.00 -0.11 0.00 0.00 43.42 43.45 1lwr n LEU 65 CO 0.26 -0.74 0.45 -0.62 -1.51 0.00 0.00 177.39 175.23 1lwr s ASP 66 N -3.43 6.99 0.53 -1.43 2.15 -1.26 -4.89 116.67 115.32 1lwr s ASP 66 Ca 0.40 1.43 -0.15 0.00 0.43 0.00 0.00 52.55 54.65 1lwr s ASP 66 Cb -0.03 -2.42 -0.07 0.00 -0.30 0.00 0.00 42.92 40.10 1lwr s ASP 66 CO 0.26 -0.06 0.98 0.26 -0.17 0.00 0.00 175.17 176.44 1lwr s TRP 67 N -1.69 3.48 -1.56 -5.34 0.52 -1.26 -3.58 118.94 109.50 1lwr s TRP 67 Ca 0.48 1.42 -0.07 0.00 0.02 0.00 0.00 56.10 57.95 1lwr s TRP 67 Cb -0.15 -2.77 0.06 0.00 -1.15 0.00 0.00 33.47 29.47 1lwr s TRP 67 CO 0.20 -0.41 0.41 -1.71 0.02 0.00 0.00 176.95 175.46 1lwr n ASN 68 N -1.75 -0.80 -4.28 2.95 2.85 0.24 -4.95 115.26 109.52 1lwr n ASN 68 Ca 0.06 -1.10 -0.24 0.00 -0.11 0.00 0.00 54.58 53.19 1lwr n ASN 68 Cb 0.54 -2.45 -0.12 0.00 1.24 0.00 0.00 39.78 38.98 1lwr n ASN 68 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1lwr s ALA 69 N -3.86 1.76 -0.04 5.20 0.00 -1.24 -4.96 121.76 118.63 1lwr s ALA 69 Ca 0.25 -1.23 -0.06 0.00 0.00 0.00 0.00 51.96 50.92 1lwr s ALA 69 Cb -0.14 -0.24 -0.04 0.00 0.00 0.00 0.00 23.12 22.70 1lwr s ALA 69 CO 0.94 0.35 0.21 -2.00 0.00 0.00 0.00 175.76 175.26 1lwr s GLU 70 N -1.89 3.51 0.02 0.00 2.12 -1.26 -1.10 118.70 120.10 1lwr s GLU 70 Ca 0.06 -0.13 0.04 0.00 0.36 0.00 0.00 54.97 55.30 1lwr s GLU 70 Cb -0.10 -3.13 -0.02 0.00 0.26 0.00 0.00 34.13 31.14 1lwr s GLU 70 CO 0.04 0.71 -0.12 0.71 -0.54 0.00 0.00 175.26 176.06 1lwr s TYR 71 N -1.20 1.05 -0.19 5.30 1.51 0.13 -1.57 117.35 122.38 1lwr s TYR 71 Ca 0.23 -0.31 0.01 0.00 -1.01 0.00 0.00 57.07 55.99 1lwr s TYR 71 Cb -0.13 -0.64 0.02 0.00 -0.11 0.00 0.00 41.96 41.10 1lwr s TYR 71 CO 0.12 0.01 -0.18 -1.21 -1.11 0.00 0.00 175.55 173.18 1lwr s GLU 72 N -0.89 2.98 -0.18 -0.62 8.01 -0.06 -1.85 118.70 126.10 1lwr s GLU 72 Ca 0.01 -0.84 -0.02 0.00 0.01 0.00 0.00 54.97 54.13 1lwr s GLU 72 Cb -0.07 -2.64 -0.01 0.00 -4.31 0.00 0.00 34.13 27.11 1lwr s GLU 72 CO 0.01 -0.23 -0.10 0.08 0.01 0.00 0.00 175.26 175.03 1lwr s VAL 73 N 1.30 3.12 -0.17 2.63 1.01 0.16 -0.80 120.40 127.65 1lwr s VAL 73 Ca 0.04 -0.60 -0.03 0.00 0.00 0.00 0.00 61.98 61.39 1lwr s VAL 73 Cb -0.14 -2.37 -0.02 0.00 0.00 0.00 0.00 36.38 33.86 1lwr s VAL 73 CO -0.11 0.48 -0.07 -0.31 0.00 0.00 0.00 175.10 175.09 1lwr s TYR 74 N 0.95 2.94 -0.16 5.22 2.02 0.20 -0.51 117.35 128.00 1lwr s TYR 74 Ca -0.02 -0.58 0.01 0.00 -0.37 0.00 0.00 57.07 56.11 1lwr s TYR 74 Cb -0.15 -1.97 0.02 0.00 -0.40 0.00 0.00 41.96 39.46 1lwr s TYR 74 CO -0.00 -0.24 -0.20 0.08 -1.57 0.00 0.00 175.55 173.62 1lwr s VAL 75 N 0.70 1.96 0.24 0.71 1.01 -0.43 -1.69 120.40 122.90 1lwr s VAL 75 Ca -0.03 -0.89 0.08 0.00 0.00 0.00 0.00 61.98 61.13 1lwr s VAL 75 Cb -0.15 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.43 1lwr s VAL 75 CO 0.02 0.53 0.08 -0.69 0.00 0.00 0.00 175.10 175.04 1lwr s VAL 76 N 1.16 3.94 0.18 2.92 1.01 -0.15 -0.73 120.40 128.72 1lwr s VAL 76 Ca 0.01 -1.60 0.06 0.00 0.00 0.00 0.00 61.98 60.45 1lwr s VAL 76 Cb -0.14 -3.09 -0.05 0.00 0.00 0.00 0.00 36.38 33.10 1lwr s VAL 76 CO -0.09 -0.31 -0.12 0.00 0.00 0.00 0.00 175.10 174.58 1lwr s ALA 77 N -2.13 1.78 0.33 5.51 0.00 -0.86 -0.27 121.76 126.13 1lwr s ALA 77 Ca 0.31 -1.60 0.08 0.00 0.00 0.00 0.00 51.96 50.76 1lwr s ALA 77 Cb -0.08 -0.01 -0.04 0.00 0.00 0.00 0.00 23.12 22.99 1lwr s ALA 77 CO 0.22 -0.01 0.15 -2.00 0.00 0.00 0.00 175.76 174.12 1lwr s GLU 78 N -3.69 2.41 0.00 0.00 2.12 -0.73 -0.23 118.70 118.58 1lwr s GLU 78 Ca 0.20 -1.51 -0.18 0.00 0.36 0.00 0.00 54.97 53.84 1lwr s GLU 78 Cb 0.01 -2.21 0.03 0.00 0.26 0.00 0.00 34.13 32.23 1lwr s GLU 78 CO 0.04 0.13 0.39 1.21 -0.54 0.00 0.00 175.26 176.49 1lwr s ASN 79 N -3.85 -0.28 0.35 -1.70 3.84 0.02 0.16 114.94 113.47 1lwr s ASN 79 Ca 0.38 0.12 0.15 0.00 0.21 0.00 0.00 52.86 53.72 1lwr s ASN 79 Cb -0.03 0.38 1.14 0.00 -0.55 0.00 0.00 41.25 42.19 1lwr s ASN 79 CO 0.23 -0.55 1.60 -0.61 -2.79 0.00 0.00 177.10 174.98 1lwr h GLN 80 N 3.42 0.09 0.06 0.43 4.15 -1.55 -1.15 115.11 120.55 1lwr h GLN 80 Ca -0.30 -0.01 -0.08 0.00 0.77 0.00 0.00 58.65 59.04 1lwr h GLN 80 Cb 1.18 -0.02 0.01 0.00 0.21 0.00 0.00 27.48 28.86 1lwr h GLN 80 CO 0.42 0.06 -0.35 1.96 -1.93 0.00 0.00 178.83 178.99 1lwr h GLN 81 N 0.10 0.13 0.00 1.69 1.08 -1.86 -3.49 115.11 112.76 1lwr h GLN 81 Ca 0.76 -0.22 0.00 0.00 -1.45 0.00 0.00 58.65 57.74 1lwr h GLN 81 Cb 1.86 0.08 0.00 0.00 -0.05 0.00 0.00 27.48 29.37 1lwr h GLN 81 CO -0.75 1.09 0.00 0.41 -0.95 0.00 0.00 178.83 178.64 1lwr n GLY 82 N 1.59 0.73 3.25 3.46 0.00 -0.44 -4.95 105.19 108.83 1lwr n GLY 82 Ca -0.12 0.40 -0.14 0.00 0.00 0.00 0.00 46.02 46.16 1lwr n GLY 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lwr s LYS 83 N 1.88 1.41 -0.15 1.61 1.02 -1.26 -0.80 119.74 123.45 1lwr s LYS 83 Ca 0.00 -1.74 0.00 0.00 0.02 0.00 0.00 55.97 54.25 1lwr s LYS 83 Cb 0.00 0.30 0.03 0.00 -0.52 0.00 0.00 37.83 37.64 1lwr s LYS 83 CO 0.00 -0.50 -0.12 0.45 -0.92 0.00 0.00 175.35 174.26 1lwr s SER 84 N -3.22 2.65 1.00 2.83 0.15 0.69 -3.82 113.70 113.97 1lwr s SER 84 Ca 0.39 -0.49 -0.19 0.00 0.70 0.00 0.00 55.95 56.35 1lwr s SER 84 Cb 0.05 -1.10 -0.12 0.00 -1.71 0.00 0.00 66.02 63.14 1lwr s SER 84 CO 0.17 -0.08 -0.76 0.29 1.20 0.00 0.00 173.24 174.06 1lwr n LYS 85 N 4.81 -0.14 -2.81 5.44 5.02 -1.26 -2.02 118.16 127.20 1lwr n LYS 85 Ca -0.16 -0.03 -0.41 0.00 -2.02 0.00 0.00 58.31 55.69 1lwr n LYS 85 Cb 0.50 -1.16 -0.05 0.00 -0.02 0.00 0.00 35.03 34.30 1lwr n LYS 85 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1lwr s ALA 86 N -2.07 3.28 -0.05 7.82 0.00 -1.26 -4.17 121.76 125.30 1lwr s ALA 86 Ca 0.42 0.48 -0.03 0.00 0.00 0.00 0.00 51.96 52.83 1lwr s ALA 86 Cb -0.11 -3.19 -0.04 0.00 0.00 0.00 0.00 23.12 19.78 1lwr s ALA 86 CO 0.76 -0.00 0.11 0.00 0.00 0.00 0.00 175.76 176.63 1lwr s ALA 87 N 0.00 3.73 -0.13 0.00 0.00 0.09 -4.92 121.76 120.53 1lwr s ALA 87 Ca 0.44 -0.76 -0.00 0.00 0.00 0.00 0.00 51.96 51.64 1lwr s ALA 87 Cb -0.22 -1.76 -0.02 0.00 0.00 0.00 0.00 23.12 21.12 1lwr s ALA 87 CO 0.28 0.67 -0.12 -1.58 0.00 0.00 0.00 175.76 175.01 1lwr s HIS 88 N -1.13 2.84 -0.14 0.00 5.04 -1.26 -1.31 115.29 119.33 1lwr s HIS 88 Ca 0.20 -0.55 0.01 0.00 -1.54 0.00 0.00 55.06 53.18 1lwr s HIS 88 Cb -0.12 -1.85 -0.00 0.00 0.04 0.00 0.00 32.58 30.65 1lwr s HIS 88 CO 0.10 -0.15 -0.17 0.12 -2.34 0.00 0.00 174.74 172.30 1lwr s PHE 89 N 0.26 2.74 -0.05 3.88 5.36 0.33 -4.91 117.98 125.59 1lwr s PHE 89 Ca -0.08 -1.01 0.05 0.00 -0.96 0.00 0.00 56.93 54.93 1lwr s PHE 89 Cb -0.15 -1.85 -0.01 0.00 -0.34 0.00 0.00 43.02 40.67 1lwr s PHE 89 CO 0.05 -0.44 -0.20 0.08 -1.46 0.00 0.00 175.22 173.25 1lwr s VAL 90 N 0.66 1.68 0.32 3.12 1.01 -1.26 -0.67 120.40 125.26 1lwr s VAL 90 Ca -0.08 -0.86 -0.15 0.00 0.00 0.00 0.00 61.98 60.89 1lwr s VAL 90 Cb -0.16 -1.43 0.03 0.00 0.00 0.00 0.00 36.38 34.82 1lwr s VAL 90 CO 0.02 0.47 0.67 0.72 0.00 0.00 0.00 175.10 176.98 1lwr s PHE 91 N -0.06 0.18 0.07 5.22 -0.71 -0.77 -5.03 117.98 116.87 1lwr s PHE 91 Ca -0.03 -0.66 0.07 0.00 -1.04 0.00 0.00 56.93 55.26 1lwr s PHE 91 Cb -0.12 0.56 -0.03 0.00 -1.21 0.00 0.00 43.02 42.21 1lwr s PHE 91 CO 0.03 -1.29 -0.18 0.50 -1.34 0.00 0.00 175.22 172.93 1lwr s ARG 92 N -3.28 1.06 0.78 1.99 3.52 -1.26 -0.70 118.95 121.07 1lwr s ARG 92 Ca 0.17 -0.99 -0.12 0.00 -0.13 0.00 0.00 55.73 54.66 1lwr s ARG 92 Cb -0.04 -1.19 0.06 0.00 -1.56 0.00 0.00 34.95 32.22 1lwr s ARG 92 CO 0.11 0.28 1.16 0.95 -0.81 0.00 0.00 175.30 176.99 1lwr s THR 93 N -1.06 2.40 0.31 4.11 -4.23 -0.26 -4.98 115.64 111.93 1lwr s THR 93 Ca 0.04 0.13 -0.05 0.00 -1.18 0.00 0.00 61.69 60.63 1lwr s THR 93 Cb -0.09 -3.12 0.07 0.00 1.34 0.00 0.00 72.50 70.70 1lwr s THR 93 CO 0.03 -0.17 0.42 -1.20 -0.54 0.00 0.00 174.62 173.16 1lwr n SER 94 N -3.25 0.07 -4.91 3.99 7.64 -0.60 -4.21 113.62 112.35 1lwr n SER 94 Ca 0.08 -1.18 -0.31 0.00 1.01 0.00 0.00 58.87 58.47 1lwr n SER 94 Cb 0.60 -0.32 -0.04 0.00 -1.01 0.00 0.00 64.21 63.44 1lwr n SER 94 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1lwr s ALA 95 N -3.88 3.91 -2.48 -0.43 0.00 -1.26 -0.59 121.76 117.02 1lwr s ALA 95 Ca 0.24 -0.74 0.28 0.00 0.00 0.00 0.00 51.96 51.74 1lwr s ALA 95 Cb -0.01 -1.95 1.08 0.00 0.00 0.00 0.00 23.12 22.24 1lwr s ALA 95 CO 0.17 0.73 1.76 0.94 0.00 0.00 0.00 175.76 179.36