#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1whd s SER 2 N 0.00 1.64 -0.25 1.61 0.15 -1.26 -5.03 113.70 110.56 1whd s SER 2 Ca 0.00 0.60 -0.12 0.00 0.70 0.00 0.00 55.95 57.14 1whd s SER 2 Cb 0.00 -0.85 -0.11 0.00 -1.71 0.00 0.00 66.02 63.35 1whd s SER 2 CO 0.00 -3.67 -0.32 -1.20 1.20 0.00 0.00 173.24 169.25 1whd n SER 3 N -4.45 1.79 0.00 5.45 7.64 -1.26 -5.11 113.62 117.68 1whd n SER 3 Ca 0.13 0.28 0.00 0.00 1.01 0.00 0.00 58.87 60.28 1whd n SER 3 Cb 0.59 -0.71 0.00 0.00 -1.01 0.00 0.00 64.21 63.08 1whd n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1whd n GLY 4 N 1.49 4.36 2.01 0.23 0.00 -1.26 -4.97 105.19 107.04 1whd n GLY 4 Ca -0.49 -0.64 -0.18 0.00 0.00 0.00 0.00 46.02 44.71 1whd n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1whd n SER 5 N 0.00 6.44 -4.18 1.61 2.88 -1.26 -4.88 113.62 114.23 1whd n SER 5 Ca 0.00 -3.08 -0.12 0.00 -1.33 0.00 0.00 58.87 54.34 1whd n SER 5 Cb 0.00 -1.10 -0.10 0.00 -0.75 0.00 0.00 64.21 62.26 1whd n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1whd s SER 6 N 0.26 1.31 0.00 -3.46 0.01 -1.26 -4.73 113.70 105.83 1whd s SER 6 Ca 0.37 -0.95 0.00 0.00 1.31 0.00 0.00 55.95 56.67 1whd s SER 6 Cb 0.27 0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.56 1whd s SER 6 CO -0.05 -0.39 0.00 0.61 0.41 0.00 0.00 173.24 173.82 1whd n GLY 7 N 0.09 3.24 0.13 3.44 0.00 -1.26 -4.78 105.19 106.05 1whd n GLY 7 Ca -0.13 -0.89 -0.22 0.00 0.00 0.00 0.00 46.02 44.78 1whd n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1whd n GLU 8 N 0.00 0.67 -3.69 1.61 1.02 -1.26 -4.91 120.64 114.07 1whd n GLU 8 Ca 0.00 0.27 -0.36 0.00 -0.02 0.00 0.00 57.16 57.05 1whd n GLU 8 Cb 0.00 -1.61 -0.07 0.00 -0.02 0.00 0.00 31.44 29.73 1whd n GLU 8 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1whd s GLY 9 N -5.81 2.11 0.80 0.62 0.00 -1.26 -5.07 107.32 98.71 1whd s GLY 9 Ca -0.31 -0.61 -0.15 0.00 0.00 0.00 0.00 44.72 43.66 1whd s GLY 9 CO 0.64 0.16 0.63 2.09 0.00 0.00 0.00 173.10 176.62 1whd n ASP 10 N 3.33 -0.97 -3.01 1.64 5.75 -1.26 -4.77 116.55 117.26 1whd n ASP 10 Ca -0.15 0.52 -0.14 0.00 -0.01 0.00 0.00 54.79 55.01 1whd n ASP 10 Cb 0.52 -1.27 0.12 0.00 -1.03 0.00 0.00 41.12 39.46 1whd n ASP 10 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 1whd n PRO 11 N -1.48 -2.04 -3.50 0.11 -0.04 -1.26 -5.00 135.00 121.79 1whd n PRO 11 Ca 0.10 -0.83 -0.42 0.00 -0.04 0.00 0.00 63.50 62.30 1whd n PRO 11 Cb 0.51 -0.78 -0.08 0.00 -0.04 0.00 0.00 33.50 33.11 1whd n PRO 11 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 1whd s GLU 12 N -4.18 2.62 0.00 0.54 -1.05 -1.26 -4.66 118.70 110.71 1whd s GLU 12 Ca 0.34 -1.71 0.00 0.00 -0.15 0.00 0.00 54.97 53.45 1whd s GLU 12 Cb -0.03 -4.00 0.00 0.00 -0.44 0.00 0.00 34.13 29.65 1whd s GLU 12 CO 0.26 -1.20 0.00 0.09 0.95 0.00 0.00 175.26 175.36 1whd n ASN 13 N 5.00 -0.78 0.00 0.83 5.03 -1.26 -4.51 115.26 119.57 1whd n ASN 13 Ca -0.10 0.39 0.00 0.00 0.87 0.00 0.00 54.58 55.74 1whd n ASN 13 Cb 0.41 -0.80 0.00 0.00 -1.02 0.00 0.00 39.78 38.37 1whd n ASN 13 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1whd n GLY 14 N -0.39 4.08 3.10 7.41 0.00 -1.26 -4.63 105.19 113.49 1whd n GLY 14 Ca 0.00 -1.56 -0.13 0.00 0.00 0.00 0.00 46.02 44.33 1whd n GLY 14 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1whd s GLU 15 N -2.72 0.63 -0.21 1.61 -1.05 0.03 -4.85 118.70 112.13 1whd s GLU 15 Ca 0.00 -0.91 -0.29 0.00 -0.15 0.00 0.00 54.97 53.62 1whd s GLU 15 Cb 0.00 -0.31 0.01 0.00 -0.44 0.00 0.00 34.13 33.38 1whd s GLU 15 CO 0.00 0.04 1.03 0.15 0.95 0.00 0.00 175.26 177.44 1whd s LYS 16 N -2.14 4.28 -0.07 -4.83 1.02 -1.26 -2.69 119.74 114.05 1whd s LYS 16 Ca -0.04 1.35 0.03 0.00 0.02 0.00 0.00 55.97 57.34 1whd s LYS 16 Cb -0.06 -3.63 0.00 0.00 -0.52 0.00 0.00 37.83 33.62 1whd s LYS 16 CO -0.01 -0.59 -0.17 -0.51 -0.92 0.00 0.00 175.35 173.16 1whd s LEU 17 N 3.05 1.83 0.06 3.17 1.43 -0.97 -5.03 118.68 122.22 1whd s LEU 17 Ca 0.44 -0.38 0.01 0.00 -1.03 0.00 0.00 54.13 53.17 1whd s LEU 17 Cb -0.15 -1.01 -0.04 0.00 0.03 0.00 0.00 46.19 45.02 1whd s LEU 17 CO 0.07 0.10 0.16 -1.58 0.23 0.00 0.00 176.35 175.34 1whd s GLN 18 N 0.39 3.25 -0.02 1.70 0.74 -1.26 -1.99 119.66 122.47 1whd s GLN 18 Ca -0.12 -0.51 0.02 0.00 0.05 0.00 0.00 55.36 54.79 1whd s GLN 18 Cb -0.15 -2.94 0.01 0.00 1.10 0.00 0.00 33.01 31.03 1whd s GLN 18 CO 0.05 0.60 -0.05 0.42 -0.55 0.00 0.00 175.29 175.76 1whd s ILE 19 N -1.45 0.48 -0.25 -2.34 -1.09 -0.80 -5.01 121.20 110.73 1whd s ILE 19 Ca 0.32 -0.19 -0.06 0.00 -2.23 0.00 0.00 60.65 58.49 1whd s ILE 19 Cb -0.13 -0.45 -0.01 0.00 -1.58 0.00 0.00 42.46 40.29 1whd s ILE 19 CO 0.25 0.17 0.04 -0.89 -1.23 0.00 0.00 174.94 173.27 1whd s THR 20 N 0.29 3.91 -0.17 2.92 2.01 -1.26 -2.50 115.64 120.83 1whd s THR 20 Ca -0.03 -0.43 -0.05 0.00 0.31 0.00 0.00 61.69 61.49 1whd s THR 20 Cb -0.07 -2.88 -0.03 0.00 0.01 0.00 0.00 72.50 69.53 1whd s THR 20 CO -0.00 0.28 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.57 1whd s ILE 21 N 1.54 4.09 -0.30 1.82 1.01 -0.90 -4.93 121.20 123.54 1whd s ILE 21 Ca 0.05 -0.28 -0.09 0.00 0.00 0.00 0.00 60.65 60.33 1whd s ILE 21 Cb -0.15 -2.82 -0.01 0.00 0.01 0.00 0.00 42.46 39.49 1whd s ILE 21 CO 0.01 0.47 0.13 -0.60 0.00 0.00 0.00 174.94 174.96 1whd s ARG 22 N 0.52 3.39 -0.28 2.79 3.52 -1.26 -2.17 118.95 125.47 1whd s ARG 22 Ca -0.01 -0.67 -0.34 0.00 -0.13 0.00 0.00 55.73 54.57 1whd s ARG 22 Cb -0.14 -3.51 -0.10 0.00 -1.56 0.00 0.00 34.95 29.63 1whd s ARG 22 CO 0.02 -0.37 2.12 -2.13 -0.81 0.00 0.00 175.30 174.13 1whd n ARG 23 N 4.97 1.43 0.00 5.12 0.63 -0.97 -4.89 116.66 122.94 1whd n ARG 23 Ca -0.14 0.43 0.00 0.00 -0.92 0.00 0.00 57.85 57.22 1whd n ARG 23 Cb 0.50 -2.62 0.00 0.00 0.45 0.00 0.00 32.46 30.78 1whd n ARG 23 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1whd n GLY 24 N 5.92 -0.67 0.22 5.14 0.00 -1.20 -4.96 105.19 109.64 1whd n GLY 24 Ca 0.35 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.31 1whd n GLY 24 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1whd n LYS 25 N 0.00 0.37 -3.86 1.61 4.81 -1.26 -4.92 118.16 114.91 1whd n LYS 25 Ca 0.00 0.15 -0.30 0.00 -0.87 0.00 0.00 58.31 57.29 1whd n LYS 25 Cb 0.00 -1.13 -0.14 0.00 0.02 0.00 0.00 35.03 33.78 1whd n LYS 25 CO 0.00 0.00 0.00 0.16 1.17 0.00 0.00 177.40 178.73 1whd s ASP 26 N -5.61 4.16 0.00 3.14 -4.77 -1.26 -5.06 116.67 107.28 1whd s ASP 26 Ca -0.20 -2.48 0.00 0.00 -3.30 0.00 0.00 52.55 46.57 1whd s ASP 26 Cb 0.03 -1.32 0.00 0.00 -1.09 0.00 0.00 42.92 40.53 1whd s ASP 26 CO 0.30 -0.30 0.00 0.61 0.70 0.00 0.00 175.17 176.47 1whd n GLY 27 N 3.78 0.99 0.22 2.12 0.00 -1.26 -4.86 105.19 106.17 1whd n GLY 27 Ca 0.05 -1.85 -0.08 0.00 0.00 0.00 0.00 46.02 44.14 1whd n GLY 27 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1whd h PHE 28 N 0.00 -0.44 0.00 1.61 0.04 -1.94 -3.19 116.94 113.02 1whd h PHE 28 Ca 0.00 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1whd h PHE 28 Cb 0.00 0.15 0.00 0.00 2.20 0.00 0.00 35.95 38.30 1whd h PHE 28 CO 0.00 -0.25 0.00 0.41 -0.60 0.00 0.00 178.31 177.87 1whd n GLY 29 N 0.53 3.72 3.88 -1.45 0.00 -1.26 -4.41 105.19 106.20 1whd n GLY 29 Ca -0.06 -0.56 -0.33 0.00 0.00 0.00 0.00 46.02 45.07 1whd n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1whd s PHE 30 N 0.00 3.52 -0.01 1.61 -0.71 -1.26 -3.69 117.98 117.44 1whd s PHE 30 Ca 0.00 0.71 0.07 0.00 -1.04 0.00 0.00 56.93 56.67 1whd s PHE 30 Cb 0.00 -2.11 -0.02 0.00 -1.21 0.00 0.00 43.02 39.67 1whd s PHE 30 CO 0.00 0.46 -0.22 0.99 -1.34 0.00 0.00 175.22 175.11 1whd s THR 31 N -1.54 2.40 -0.06 -4.49 2.01 -0.32 -5.01 115.64 108.63 1whd s THR 31 Ca 0.37 -1.05 -0.03 0.00 0.31 0.00 0.00 61.69 61.30 1whd s THR 31 Cb -0.13 -1.89 0.03 0.00 0.01 0.00 0.00 72.50 70.52 1whd s THR 31 CO 0.21 0.53 0.13 0.27 -0.69 0.00 0.00 174.62 175.07 1whd s ILE 32 N -0.70 -0.04 -0.19 1.82 -5.25 -1.26 -1.28 121.20 114.30 1whd s ILE 32 Ca 0.11 0.15 -0.08 0.00 -0.99 0.00 0.00 60.65 59.84 1whd s ILE 32 Cb -0.10 -0.21 0.08 0.00 2.95 0.00 0.00 42.46 45.18 1whd s ILE 32 CO 0.00 0.06 0.42 0.00 -1.79 0.00 0.00 174.94 173.64 1whd s ASP 35 N -3.33 5.28 -0.25 0.00 1.47 -1.26 -1.65 116.67 116.92 1whd s ASP 35 Ca 0.21 0.00 -0.24 0.00 1.18 0.00 0.00 52.55 53.69 1whd s ASP 35 Cb 0.03 -1.87 -0.10 0.00 -0.34 0.00 0.00 42.92 40.63 1whd s ASP 35 CO -0.02 0.18 0.82 -1.54 0.68 0.00 0.00 175.17 175.29 1whd n SER 36 N 3.46 0.60 -4.77 2.11 3.41 -0.98 -4.08 113.62 113.36 1whd n SER 36 Ca -0.17 0.62 -0.34 0.00 -0.26 0.00 0.00 58.87 58.71 1whd n SER 36 Cb 0.52 -0.46 0.02 0.00 -0.26 0.00 0.00 64.21 64.03 1whd n SER 36 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1whd s PRO 37 N 1.49 3.16 0.36 4.33 0.04 -1.25 -4.93 135.00 138.20 1whd s PRO 37 Ca 0.54 1.53 -0.17 0.00 0.04 0.00 0.00 61.00 62.94 1whd s PRO 37 Cb -0.77 -1.99 -0.10 0.00 0.04 0.00 0.00 34.50 31.68 1whd s PRO 37 CO 0.42 -0.99 0.82 0.08 0.04 0.00 0.00 177.00 177.37 1whd s VAL 38 N -1.97 4.56 0.28 -0.36 1.01 -1.25 -4.91 120.40 117.76 1whd s VAL 38 Ca 0.71 1.16 0.02 0.00 0.00 0.00 0.00 61.98 63.87 1whd s VAL 38 Cb -0.23 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 1whd s VAL 38 CO 0.32 -0.22 0.16 -0.13 0.00 0.00 0.00 175.10 175.22 1whd s ARG 39 N -3.03 1.49 0.19 2.72 0.52 -1.26 -2.30 118.95 117.29 1whd s ARG 39 Ca 0.57 -1.84 -0.18 0.00 -0.52 0.00 0.00 55.73 53.76 1whd s ARG 39 Cb -0.10 0.01 -0.08 0.00 0.52 0.00 0.00 34.95 35.30 1whd s ARG 39 CO 0.16 -0.43 0.67 0.08 0.02 0.00 0.00 175.30 175.80 1whd s VAL 40 N -3.74 4.65 -0.21 3.52 1.01 0.04 -3.36 120.40 122.32 1whd s VAL 40 Ca 0.37 1.17 -0.16 0.00 0.00 0.00 0.00 61.98 63.36 1whd s VAL 40 Cb 0.06 -3.83 -0.09 0.00 0.00 0.00 0.00 36.38 32.51 1whd s VAL 40 CO 0.17 0.24 -0.25 1.67 0.00 0.00 0.00 175.10 176.93 1whd n GLN 41 N 0.81 0.54 -3.55 2.72 -0.06 -0.40 -4.06 117.38 113.38 1whd n GLN 41 Ca -0.04 0.33 -0.13 0.00 -2.00 0.00 0.00 57.00 55.16 1whd n GLN 41 Cb 0.51 -1.54 -0.05 0.00 -4.06 0.00 0.00 30.24 25.10 1whd n GLN 41 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1whd s ALA 42 N -2.69 -1.86 -0.04 1.69 0.00 -0.70 -4.78 121.76 113.38 1whd s ALA 42 Ca -0.29 1.44 0.03 0.00 0.00 0.00 0.00 51.96 53.13 1whd s ALA 42 Cb 0.07 -0.36 -0.03 0.00 0.00 0.00 0.00 23.12 22.81 1whd s ALA 42 CO 0.43 -0.36 -0.11 0.08 0.00 0.00 0.00 175.76 175.81 1whd s VAL 43 N -1.27 3.35 -0.13 0.00 1.01 -1.26 -1.18 120.40 120.92 1whd s VAL 43 Ca -0.05 -0.67 -0.29 0.00 0.00 0.00 0.00 61.98 60.96 1whd s VAL 43 Cb -0.00 -2.36 -0.02 0.00 0.00 0.00 0.00 36.38 33.99 1whd s VAL 43 CO 0.04 0.55 1.28 -0.62 0.00 0.00 0.00 175.10 176.36 1whd s ASP 44 N -0.90 6.94 -0.27 3.32 -1.08 -1.24 -4.95 116.67 118.49 1whd s ASP 44 Ca 0.13 1.77 -0.28 0.00 -0.52 0.00 0.00 52.55 53.64 1whd s ASP 44 Cb -0.11 -2.54 -0.03 0.00 -1.46 0.00 0.00 42.92 38.78 1whd s ASP 44 CO 0.02 -0.74 1.94 -0.44 0.52 0.00 0.00 175.17 176.48 1whd s SER 45 N 1.97 5.78 0.00 -0.34 0.01 -1.26 -2.37 113.70 117.49 1whd s SER 45 Ca 0.57 1.58 0.00 0.00 1.31 0.00 0.00 55.95 59.40 1whd s SER 45 Cb -0.23 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.47 1whd s SER 45 CO 0.17 -1.75 0.00 0.61 0.41 0.00 0.00 173.24 172.68 1whd n GLY 46 N 5.48 0.89 1.46 3.44 0.00 -1.26 -5.08 105.19 110.12 1whd n GLY 46 Ca 0.25 -0.61 -0.12 0.00 0.00 0.00 0.00 46.02 45.54 1whd n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1whd n GLY 47 N -0.53 3.65 0.24 -0.02 0.00 -1.00 -4.93 105.19 102.60 1whd n GLY 47 Ca 0.00 -2.26 0.16 0.00 0.00 0.00 0.00 46.02 43.92 1whd n GLY 47 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1whd h PRO 48 N 0.00 0.00 0.01 1.61 0.13 -1.88 -1.99 132.00 129.87 1whd h PRO 48 Ca -0.16 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.67 1whd h PRO 48 Cb 0.51 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.59 1whd h PRO 48 CO 0.26 0.00 -1.63 0.00 -0.23 0.00 0.00 178.00 176.40 1whd n ALA 49 N -2.00 0.90 0.37 -0.56 0.00 -1.26 -3.54 120.51 114.40 1whd n ALA 49 Ca 0.01 -0.64 -0.17 0.00 0.00 0.00 0.00 53.44 52.64 1whd n ALA 49 Cb 0.28 -0.41 -0.09 0.00 0.00 0.00 0.00 19.45 19.23 1whd n ALA 49 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1whd h GLU 50 N -0.89 -0.89 -0.87 0.00 4.81 -1.73 -1.08 114.58 113.92 1whd h GLU 50 Ca -0.44 0.06 0.12 0.00 -0.13 0.00 0.00 59.36 58.97 1whd h GLU 50 Cb 1.44 0.20 -0.08 0.00 0.63 0.00 0.00 28.75 30.95 1whd h GLU 50 CO -0.23 -0.57 0.50 0.00 -0.73 0.00 0.00 179.01 177.98 1whd h ARG 51 N -1.05 0.76 -0.43 1.92 3.08 -1.60 -1.73 114.38 115.33 1whd h ARG 51 Ca -0.09 -0.05 0.07 0.00 0.07 0.00 0.00 59.98 59.98 1whd h ARG 51 Cb 0.74 -0.17 -0.06 0.00 0.08 0.00 0.00 29.97 30.56 1whd h ARG 51 CO 0.16 0.50 0.10 0.00 -1.07 0.00 0.00 179.97 179.66 1whd h ALA 52 N 1.50 0.48 0.00 0.04 0.00 -1.58 -3.46 119.26 116.25 1whd h ALA 52 Ca 0.44 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.43 1whd h ALA 52 Cb 0.48 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1whd h ALA 52 CO -0.28 -0.30 0.00 0.41 0.00 0.00 0.00 179.25 179.07 1whd n GLY 53 N -1.26 0.00 3.80 0.00 0.00 -0.65 -4.98 105.19 102.10 1whd n GLY 53 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 1whd n GLY 53 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1whd s LEU 54 N 0.00 4.35 -0.01 0.99 0.20 -0.46 -4.96 118.68 118.79 1whd s LEU 54 Ca 0.00 0.67 0.03 0.00 0.69 0.00 0.00 54.13 55.52 1whd s LEU 54 Cb 0.00 -2.39 -0.03 0.00 -0.43 0.00 0.00 46.19 43.33 1whd s LEU 54 CO 0.00 0.24 -0.10 -1.58 -0.29 0.00 0.00 176.35 174.62 1whd s GLN 55 N -0.36 2.51 0.58 1.98 0.74 -1.26 -4.62 119.66 119.22 1whd s GLN 55 Ca 0.19 -0.72 -0.16 0.00 0.05 0.00 0.00 55.36 54.72 1whd s GLN 55 Cb -0.14 -2.45 -0.05 0.00 1.10 0.00 0.00 33.01 31.48 1whd s GLN 55 CO 0.07 0.61 1.04 -1.14 -0.55 0.00 0.00 175.29 175.32 1whd s GLN 56 N -1.17 3.45 -1.18 1.67 0.74 -1.26 -3.73 119.66 118.18 1whd s GLN 56 Ca 0.15 1.15 -0.03 0.00 0.05 0.00 0.00 55.36 56.68 1whd s GLN 56 Cb -0.11 -2.05 0.00 0.00 1.10 0.00 0.00 33.01 31.95 1whd s GLN 56 CO 0.05 -0.70 0.38 1.28 -0.55 0.00 0.00 175.29 175.75 1whd n LEU 57 N -1.94 -2.28 -4.96 3.68 4.77 -1.26 -5.01 117.00 110.00 1whd n LEU 57 Ca 0.08 -0.18 -0.23 0.00 -0.03 0.00 0.00 56.01 55.66 1whd n LEU 57 Cb 0.53 -2.33 -0.02 0.00 -2.33 0.00 0.00 43.42 39.27 1whd n LEU 57 CO 0.47 0.12 0.03 -1.81 -1.33 0.00 0.00 177.39 174.87 1whd s ASP 58 N -2.71 6.32 -0.21 -1.43 1.11 -1.24 -4.82 116.67 113.68 1whd s ASP 58 Ca 0.19 0.21 -0.06 0.00 0.18 0.00 0.00 52.55 53.07 1whd s ASP 58 Cb -0.08 -1.93 -0.03 0.00 1.07 0.00 0.00 42.92 41.95 1whd s ASP 58 CO 0.23 -0.13 0.03 -0.89 1.18 0.00 0.00 175.17 175.59 1whd s THR 59 N -2.06 4.16 0.13 -1.27 2.01 -1.26 -0.78 115.64 116.56 1whd s THR 59 Ca 0.36 -0.24 -0.30 0.00 0.31 0.00 0.00 61.69 61.82 1whd s THR 59 Cb -0.09 -2.90 -0.07 0.00 0.01 0.00 0.00 72.50 69.45 1whd s THR 59 CO 0.31 0.41 1.22 -0.69 -0.69 0.00 0.00 174.62 175.18 1whd s VAL 60 N 1.10 3.73 -0.15 3.82 1.01 -0.97 -2.95 120.40 125.99 1whd s VAL 60 Ca 0.03 1.34 -0.14 0.00 0.00 0.00 0.00 61.98 63.20 1whd s VAL 60 Cb -0.14 -3.85 -0.06 0.00 0.00 0.00 0.00 36.38 32.32 1whd s VAL 60 CO 0.02 0.16 -0.29 0.18 0.00 0.00 0.00 175.10 175.17 1whd n LEU 61 N 3.23 1.78 -3.74 3.92 4.77 -0.16 -4.45 117.00 122.36 1whd n LEU 61 Ca 0.07 0.30 -0.14 0.00 -0.03 0.00 0.00 56.01 56.21 1whd n LEU 61 Cb 0.45 -0.68 -0.08 0.00 -2.33 0.00 0.00 43.42 40.78 1whd n LEU 61 CO 0.56 -0.21 0.07 0.00 -1.33 0.00 0.00 177.39 176.47 1whd s GLN 62 N -2.70 0.69 0.03 3.23 -2.07 -1.19 -2.45 119.66 115.19 1whd s GLN 62 Ca -0.26 -0.10 0.07 0.00 -1.82 0.00 0.00 55.36 53.26 1whd s GLN 62 Cb 0.05 0.31 -0.02 0.00 -1.09 0.00 0.00 33.01 32.26 1whd s GLN 62 CO 0.37 -0.19 -0.20 -1.17 -1.32 0.00 0.00 175.29 172.78 1whd s LEU 63 N -1.20 2.13 -1.71 2.60 2.96 0.12 -1.11 118.68 122.48 1whd s LEU 63 Ca -0.12 -0.47 -0.11 0.00 -0.22 0.00 0.00 54.13 53.21 1whd s LEU 63 Cb -0.05 -0.95 0.11 0.00 0.50 0.00 0.00 46.19 45.80 1whd s LEU 63 CO 0.05 0.17 0.29 0.59 -1.32 0.00 0.00 176.35 176.12 1whd n ASN 64 N 2.07 -0.37 -2.86 3.68 3.02 0.04 0.21 115.26 121.06 1whd n ASN 64 Ca -0.17 -1.26 -0.21 0.00 -0.03 0.00 0.00 54.58 52.91 1whd n ASN 64 Cb 0.53 -1.62 0.04 0.00 -0.61 0.00 0.00 39.78 38.13 1whd n ASN 64 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1whd n GLU 65 N -4.34 -4.90 -4.37 3.52 1.02 -1.26 -5.00 120.64 105.31 1whd n GLU 65 Ca -0.12 0.83 -0.19 0.00 -0.02 0.00 0.00 57.16 57.67 1whd n GLU 65 Cb 0.58 -5.56 -0.15 0.00 -0.02 0.00 0.00 31.44 26.30 1whd n GLU 65 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1whd s ARG 66 N -5.68 0.73 -0.06 3.49 0.52 0.57 -5.12 118.95 113.40 1whd s ARG 66 Ca 0.31 -0.32 -0.30 0.00 -0.52 0.00 0.00 55.73 54.90 1whd s ARG 66 Cb -0.14 -0.71 -0.05 0.00 0.52 0.00 0.00 34.95 34.58 1whd s ARG 66 CO 0.39 0.19 1.50 -1.25 0.02 0.00 0.00 175.30 176.15 1whd s PRO 67 N -0.21 4.22 -0.05 3.54 0.04 -1.26 0.15 135.00 141.43 1whd s PRO 67 Ca 0.03 2.02 0.14 0.00 0.04 0.00 0.00 61.00 63.23 1whd s PRO 67 Cb -0.03 -3.81 0.27 0.00 0.04 0.00 0.00 34.50 30.96 1whd s PRO 67 CO -0.00 -0.74 1.12 1.33 0.04 0.00 0.00 177.00 178.74 1whd n VAL 68 N 5.21 0.55 0.18 -0.36 0.24 -1.03 -4.81 118.33 118.31 1whd n VAL 68 Ca 0.15 -1.14 0.05 0.00 -2.04 0.00 0.00 64.34 61.36 1whd n VAL 68 Cb 0.43 0.50 0.33 0.00 -1.47 0.00 0.00 33.84 33.64 1whd n VAL 68 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 1whd h GLU 69 N 0.54 0.00 -0.18 7.34 4.22 -1.73 -3.07 114.58 121.71 1whd h GLU 69 Ca -0.09 0.00 -0.09 0.00 0.08 0.00 0.00 59.36 59.26 1whd h GLU 69 Cb 1.49 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.69 1whd h GLU 69 CO 0.04 0.40 -0.26 -2.39 -2.18 0.00 0.00 179.01 174.62 1whd n HIS 70 N -3.62 0.55 -3.95 0.92 1.44 -1.26 -3.83 115.22 105.47 1whd n HIS 70 Ca -0.01 -1.50 -0.27 0.00 -2.01 0.00 0.00 57.72 53.93 1whd n HIS 70 Cb 0.50 -0.36 -0.03 0.00 0.12 0.00 0.00 29.99 30.22 1whd n HIS 70 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 1whd s TRP 71 N -3.21 3.46 0.14 -1.40 0.52 -1.16 -4.78 118.94 112.51 1whd s TRP 71 Ca 0.41 0.14 0.05 0.00 0.02 0.00 0.00 56.10 56.71 1whd s TRP 71 Cb 0.38 -1.67 -0.04 0.00 -1.15 0.00 0.00 33.47 30.99 1whd s TRP 71 CO -0.03 0.53 0.10 0.15 0.02 0.00 0.00 176.95 177.72 1whd s LYS 72 N -3.05 2.83 0.24 4.98 1.02 -1.26 -2.33 119.74 122.17 1whd s LYS 72 Ca 0.34 -0.84 0.10 0.00 0.02 0.00 0.00 55.97 55.59 1whd s LYS 72 Cb -0.11 -2.64 0.77 0.00 -0.52 0.00 0.00 37.83 35.33 1whd s LYS 72 CO 0.28 0.51 1.07 0.00 -0.92 0.00 0.00 175.35 176.29 1whd h VAL 74 N 0.00 1.35 -0.43 0.00 -1.51 -1.94 0.41 116.25 114.13 1whd h VAL 74 Ca 0.52 -1.34 -0.01 0.00 -1.23 0.00 0.00 66.70 64.64 1whd h VAL 74 Cb 1.28 1.90 -0.02 0.00 -2.13 0.00 0.00 31.29 32.32 1whd h VAL 74 CO -0.57 0.39 0.22 -0.08 -1.23 0.00 0.00 177.57 176.30 1whd h GLU 75 N -0.02 0.61 0.27 5.19 4.57 0.25 -2.90 114.58 122.56 1whd h GLU 75 Ca 0.02 -0.08 -0.01 0.00 -1.18 0.00 0.00 59.36 58.10 1whd h GLU 75 Cb 0.70 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.18 1whd h GLU 75 CO 0.04 0.52 -0.13 1.25 -1.18 0.00 0.00 179.01 179.51 1whd h LEU 76 N 0.55 -0.31 -0.71 1.64 5.85 -0.57 -3.29 115.31 118.48 1whd h LEU 76 Ca 0.15 -0.05 0.28 0.00 0.84 0.00 0.00 57.88 59.10 1whd h LEU 76 Cb 0.10 0.08 -0.13 0.00 0.37 0.00 0.00 40.66 41.08 1whd h LEU 76 CO -0.02 0.16 0.33 0.00 -0.34 0.00 0.00 178.44 178.58 1whd n ALA 77 N -2.73 0.68 0.16 1.25 0.00 0.14 0.15 120.51 120.17 1whd n ALA 77 Ca -0.05 0.73 -0.14 0.00 0.00 0.00 0.00 53.44 53.98 1whd n ALA 77 Cb 0.17 -0.70 -0.08 0.00 0.00 0.00 0.00 19.45 18.84 1whd n ALA 77 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1whd h HIS 78 N 0.00 -0.32 0.25 0.00 3.86 -1.57 -2.14 115.15 115.23 1whd h HIS 78 Ca 0.58 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.78 1whd h HIS 78 Cb 1.50 0.10 -0.01 0.00 1.06 0.00 0.00 27.41 30.07 1whd h HIS 78 CO -0.06 -0.17 -0.17 1.49 0.86 0.00 0.00 177.93 179.88 1whd h GLU 79 N -0.37 -0.40 -0.26 2.45 4.57 0.13 -1.57 114.58 119.14 1whd h GLU 79 Ca -0.03 0.03 0.03 0.00 -1.18 0.00 0.00 59.36 58.21 1whd h GLU 79 Cb 0.28 0.09 -0.06 0.00 -0.16 0.00 0.00 28.75 28.91 1whd h GLU 79 CO 0.06 -0.26 -0.40 0.82 -1.18 0.00 0.00 179.01 178.05 1whd h ILE 80 N -0.41 0.00 -0.85 2.32 2.04 -1.23 0.10 117.51 119.48 1whd h ILE 80 Ca -0.02 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.02 1whd h ILE 80 Cb 0.35 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.37 1whd h ILE 80 CO 0.01 0.00 0.57 0.03 0.00 0.00 0.00 178.15 178.76 1whd h ARG 81 N -0.30 0.41 -0.72 2.37 3.08 -1.35 -2.52 114.38 115.35 1whd h ARG 81 Ca 0.05 -0.02 0.12 0.00 0.07 0.00 0.00 59.98 60.20 1whd h ARG 81 Cb 0.43 -0.09 -0.12 0.00 0.08 0.00 0.00 29.97 30.27 1whd h ARG 81 CO -0.41 0.27 -0.25 0.45 -1.07 0.00 0.00 179.97 178.97 1whd n SER 82 N -4.50 -0.39 -4.21 7.04 2.88 0.36 -3.07 113.62 111.74 1whd n SER 82 Ca 0.17 1.26 -0.40 0.00 -1.33 0.00 0.00 58.87 58.57 1whd n SER 82 Cb 0.63 -0.32 -0.09 0.00 -0.75 0.00 0.00 64.21 63.68 1whd n SER 82 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1whd h PRO 84 N 8.40 0.51 0.00 0.00 0.13 -1.78 -3.36 132.00 135.91 1whd h PRO 84 Ca -0.20 -0.27 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1whd h PRO 84 Cb 1.07 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1whd h PRO 84 CO 0.83 0.85 0.00 0.43 -0.23 0.00 0.00 178.00 179.88 1whd n SER 85 N -4.43 0.00 -4.03 1.44 7.64 -1.26 -4.23 113.62 108.75 1whd n SER 85 Ca -0.05 0.78 -0.08 0.00 1.01 0.00 0.00 58.87 60.53 1whd n SER 85 Cb 0.41 -0.28 -0.10 0.00 -1.01 0.00 0.00 64.21 63.22 1whd n SER 85 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1whd s GLU 86 N -2.12 0.46 0.00 1.43 -6.30 -1.26 -2.30 118.70 108.61 1whd s GLU 86 Ca 0.00 -0.90 0.02 0.00 -2.50 0.00 0.00 54.97 51.59 1whd s GLU 86 Cb 0.00 0.16 -0.01 0.00 0.00 0.00 0.00 34.13 34.28 1whd s GLU 86 CO 0.00 -0.08 -0.07 0.96 0.02 0.00 0.00 175.26 176.09 1whd s ILE 87 N -2.65 0.56 -0.28 -3.70 -4.36 -0.92 -4.78 121.20 105.07 1whd s ILE 87 Ca -0.05 -0.42 -0.00 0.00 -0.26 0.00 0.00 60.65 59.92 1whd s ILE 87 Cb -0.01 -0.49 0.05 0.00 1.25 0.00 0.00 42.46 43.25 1whd s ILE 87 CO -0.05 0.08 -0.04 -0.63 0.24 0.00 0.00 174.94 174.53 1whd s ILE 88 N -0.34 2.72 -0.08 8.37 1.01 -1.26 -2.11 121.20 129.51 1whd s ILE 88 Ca 0.01 -1.39 0.04 0.00 0.00 0.00 0.00 60.65 59.31 1whd s ILE 88 Cb -0.04 -2.54 -0.01 0.00 0.01 0.00 0.00 42.46 39.89 1whd s ILE 88 CO -0.00 -0.02 -0.22 -1.48 0.00 0.00 0.00 174.94 173.21 1whd s LEU 89 N 1.22 2.20 -0.17 2.97 2.34 -1.04 -0.78 118.68 125.43 1whd s LEU 89 Ca -0.05 -0.49 -0.05 0.00 0.06 0.00 0.00 54.13 53.60 1whd s LEU 89 Cb -0.19 -1.43 -0.03 0.00 -0.56 0.00 0.00 46.19 43.98 1whd s LEU 89 CO -0.03 0.21 -0.01 -0.22 -1.06 0.00 0.00 176.35 175.24 1whd s LEU 90 N 0.06 3.40 0.33 1.48 2.96 -0.26 -1.91 118.68 124.74 1whd s LEU 90 Ca -0.10 -0.08 0.05 0.00 -0.22 0.00 0.00 54.13 53.78 1whd s LEU 90 Cb -0.15 -1.83 -0.07 0.00 0.50 0.00 0.00 46.19 44.64 1whd s LEU 90 CO 0.06 0.16 0.04 0.68 -1.32 0.00 0.00 176.35 175.96 1whd s VAL 91 N 0.42 1.37 -0.16 1.68 -7.23 -0.84 -0.99 120.40 114.65 1whd s VAL 91 Ca -0.02 -2.02 -0.06 0.00 -1.81 0.00 0.00 61.98 58.08 1whd s VAL 91 Cb -0.14 -2.78 -0.04 0.00 0.56 0.00 0.00 36.38 33.99 1whd s VAL 91 CO 0.02 -0.04 0.03 0.86 -0.31 0.00 0.00 175.10 175.65 1whd s TRP 92 N -3.17 3.19 0.02 2.82 -0.11 -1.15 -2.29 118.94 118.24 1whd s TRP 92 Ca 0.35 -0.00 0.05 0.00 1.22 0.00 0.00 56.10 57.72 1whd s TRP 92 Cb 0.08 -2.00 -0.02 0.00 -1.50 0.00 0.00 33.47 30.04 1whd s TRP 92 CO 0.15 0.17 -0.15 0.50 -4.62 0.00 0.00 176.95 173.00 1whd s ARG 93 N 0.14 1.10 -0.17 5.86 3.52 -1.10 -4.47 118.95 123.84 1whd s ARG 93 Ca 0.03 -0.68 0.00 0.00 -0.13 0.00 0.00 55.73 54.95 1whd s ARG 93 Cb -0.13 -1.11 0.03 0.00 -1.56 0.00 0.00 34.95 32.19 1whd s ARG 93 CO 0.01 0.29 -0.11 0.54 -0.81 0.00 0.00 175.30 175.22 1whd s VAL 94 N -0.63 1.50 0.30 7.11 0.11 -1.26 -0.79 120.40 126.74 1whd s VAL 94 Ca 0.04 -0.74 -0.27 0.00 -2.93 0.00 0.00 61.98 58.08 1whd s VAL 94 Cb -0.07 -1.51 -0.10 0.00 -1.53 0.00 0.00 36.38 33.18 1whd s VAL 94 CO 0.01 0.30 0.96 -0.94 -3.33 0.00 0.00 175.10 172.10 1whd s SER 95 N 1.49 7.37 -0.22 3.54 1.04 -1.26 -4.99 113.70 120.67 1whd s SER 95 Ca 0.02 1.91 -0.04 0.00 0.48 0.00 0.00 55.95 58.32 1whd s SER 95 Cb -0.14 -2.59 -0.01 0.00 0.10 0.00 0.00 66.02 63.38 1whd s SER 95 CO -0.09 -0.04 -0.04 -0.83 0.98 0.00 0.00 173.24 173.21 1whd s GLY 96 N -1.46 1.61 0.50 7.32 0.00 -1.26 -4.95 107.32 109.08 1whd s GLY 96 Ca 0.48 -1.16 0.28 0.00 0.00 0.00 0.00 44.72 44.32 1whd s GLY 96 CO 0.27 0.42 1.93 -0.56 0.00 0.00 0.00 173.10 175.16 1whd h PRO 97 N 8.10 0.00 -6.64 2.90 0.13 -2.06 -3.45 132.00 130.97 1whd h PRO 97 Ca -0.41 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.13 1whd h PRO 97 Cb 1.16 0.00 0.12 0.00 0.13 0.00 0.00 31.00 32.41 1whd h PRO 97 CO 0.60 0.13 0.24 0.43 -0.23 0.00 0.00 178.00 179.17 1whd n SER 98 N -3.32 1.64 -4.73 1.44 7.64 -1.26 -4.86 113.62 110.17 1whd n SER 98 Ca -0.00 1.11 -0.42 0.00 1.01 0.00 0.00 58.87 60.57 1whd n SER 98 Cb 0.35 -1.37 -0.03 0.00 -1.01 0.00 0.00 64.21 62.15 1whd n SER 98 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1whd s SER 99 N -0.60 6.42 0.00 6.43 0.01 -1.26 -5.26 113.70 119.44 1whd s SER 99 Ca 0.60 2.84 0.00 0.00 1.31 0.00 0.00 55.95 60.71 1whd s SER 99 Cb -0.59 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.03 1whd s SER 99 CO 0.59 -0.92 0.00 0.61 0.41 0.00 0.00 173.24 173.92