#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pwt n GLY 2 N 0.00 -0.23 2.70 3.03 0.00 -1.26 -0.64 105.19 108.79 1pwt n GLY 2 Ca 0.00 0.15 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 1pwt n GLY 2 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1pwt s THR 3 N -5.09 1.51 -2.94 2.61 -1.32 -1.26 -5.12 115.64 104.03 1pwt s THR 3 Ca -0.02 -2.85 0.00 0.00 -1.21 0.00 0.00 61.69 57.61 1pwt s THR 3 Cb 0.04 -2.04 0.00 0.00 -1.51 0.00 0.00 72.50 68.99 1pwt s THR 3 CO 0.11 -0.96 0.00 0.61 -2.21 0.00 0.00 174.62 172.17 1pwt n GLY 4 N 3.20 0.54 3.86 6.08 0.00 0.18 -5.08 105.19 113.97 1pwt n GLY 4 Ca 0.13 -1.74 -0.30 0.00 0.00 0.00 0.00 46.02 44.11 1pwt n GLY 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pwt s LYS 5 N -1.29 2.96 0.78 1.61 1.02 -1.26 0.10 119.74 123.65 1pwt s LYS 5 Ca 0.00 0.62 -0.11 0.00 0.02 0.00 0.00 55.97 56.49 1pwt s LYS 5 Cb 0.00 -2.02 0.06 0.00 -0.52 0.00 0.00 37.83 35.35 1pwt s LYS 5 CO 0.00 -1.00 1.11 -1.21 -0.92 0.00 0.00 175.35 173.33 1pwt s GLU 6 N -5.25 2.12 0.19 1.68 2.02 -1.26 -3.16 118.70 115.04 1pwt s GLU 6 Ca 0.58 1.31 0.07 0.00 0.02 0.00 0.00 54.97 56.95 1pwt s GLU 6 Cb -0.12 -1.87 -0.04 0.00 0.10 0.00 0.00 34.13 32.20 1pwt s GLU 6 CO 0.53 -1.76 0.02 -0.51 0.02 0.00 0.00 175.26 173.56 1pwt s LEU 7 N -5.82 3.37 0.09 1.80 1.43 -1.26 -0.88 118.68 117.41 1pwt s LEU 7 Ca 0.64 -0.40 0.04 0.00 -1.03 0.00 0.00 54.13 53.38 1pwt s LEU 7 Cb -0.19 -1.99 -0.03 0.00 0.03 0.00 0.00 46.19 44.00 1pwt s LEU 7 CO 0.53 0.07 -0.11 0.68 0.23 0.00 0.00 176.35 177.75 1pwt s VAL 8 N -1.83 0.96 -0.20 -1.59 -7.23 0.26 -1.37 120.40 109.40 1pwt s VAL 8 Ca 0.29 -1.52 -0.09 0.00 -1.81 0.00 0.00 61.98 58.84 1pwt s VAL 8 Cb -0.09 -1.24 -0.05 0.00 0.56 0.00 0.00 36.38 35.57 1pwt s VAL 8 CO 0.19 -0.47 0.10 -0.22 -0.31 0.00 0.00 175.10 174.40 1pwt s LEU 9 N -2.22 4.00 0.02 1.32 2.96 0.10 -0.73 118.68 124.13 1pwt s LEU 9 Ca 0.03 0.14 -0.30 0.00 -0.22 0.00 0.00 54.13 53.77 1pwt s LEU 9 Cb -0.05 -2.03 -0.05 0.00 0.50 0.00 0.00 46.19 44.56 1pwt s LEU 9 CO 0.01 0.16 1.28 0.00 -1.32 0.00 0.00 176.35 176.48 1pwt s ALA 10 N 0.46 3.50 -0.17 5.97 0.00 0.64 -0.95 121.76 131.21 1pwt s ALA 10 Ca 0.06 0.83 0.19 0.00 0.00 0.00 0.00 51.96 53.04 1pwt s ALA 10 Cb -0.12 -3.52 -0.09 0.00 0.00 0.00 0.00 23.12 19.39 1pwt s ALA 10 CO -0.00 -0.69 0.88 1.28 0.00 0.00 0.00 175.76 177.23 1pwt n LEU 11 N 4.72 0.80 -4.03 0.00 4.77 -0.00 -0.82 117.00 122.43 1pwt n LEU 11 Ca 0.11 0.33 -0.08 0.00 -0.03 0.00 0.00 56.01 56.34 1pwt n LEU 11 Cb 0.45 0.02 -0.10 0.00 -2.33 0.00 0.00 43.42 41.47 1pwt n LEU 11 CO 0.57 0.01 -0.31 -0.31 -1.33 0.00 0.00 177.39 176.01 1pwt s TYR 12 N -3.13 0.40 0.53 -1.77 2.02 -1.25 -4.85 117.35 109.31 1pwt s TYR 12 Ca -0.02 -0.87 -0.21 0.00 -0.37 0.00 0.00 57.07 55.60 1pwt s TYR 12 Cb 0.09 -0.29 -0.06 0.00 -0.40 0.00 0.00 41.96 41.30 1pwt s TYR 12 CO 0.81 -0.37 1.20 -0.51 -1.57 0.00 0.00 175.55 175.11 1pwt s ASP 13 N -2.61 5.65 -0.12 2.29 1.01 -1.26 -3.72 116.67 117.91 1pwt s ASP 13 Ca 0.02 2.39 -0.05 0.00 0.71 0.00 0.00 52.55 55.62 1pwt s ASP 13 Cb 0.04 -2.60 0.06 0.00 1.01 0.00 0.00 42.92 41.42 1pwt s ASP 13 CO -0.08 -1.28 0.27 -0.47 0.21 0.00 0.00 175.17 173.82 1pwt s TYR 14 N -1.55 -0.40 -0.20 4.23 5.04 -0.39 -4.90 117.35 119.17 1pwt s TYR 14 Ca 0.71 0.92 -0.10 0.00 -2.44 0.00 0.00 57.07 56.16 1pwt s TYR 14 Cb -0.30 0.03 -0.05 0.00 0.35 0.00 0.00 41.96 41.98 1pwt s TYR 14 CO 0.35 -0.30 0.15 -0.65 -1.34 0.00 0.00 175.55 173.76 1pwt s GLN 15 N 1.87 4.19 0.30 4.97 1.11 -1.26 -1.20 119.66 129.63 1pwt s GLN 15 Ca -0.04 -0.19 -0.29 0.00 0.01 0.00 0.00 55.36 54.85 1pwt s GLN 15 Cb -0.11 -3.43 -0.13 0.00 -1.01 0.00 0.00 33.01 28.33 1pwt s GLN 15 CO -0.09 0.27 1.32 -0.85 0.01 0.00 0.00 175.29 175.95 1pwt n GLU 16 N 3.60 2.06 -0.00 2.91 -0.00 -1.26 -4.90 120.64 123.05 1pwt n GLU 16 Ca -0.15 0.72 0.00 0.00 -0.00 0.00 0.00 57.16 57.73 1pwt n GLU 16 Cb 0.52 -2.32 0.00 0.00 -0.00 0.00 0.00 31.44 29.64 1pwt n GLU 16 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1pwt n LYS 17 N 1.08 0.16 -3.68 3.44 5.02 -1.26 -4.98 118.16 117.94 1pwt n LYS 17 Ca 0.07 -0.79 -0.09 0.00 -2.02 0.00 0.00 58.31 55.48 1pwt n LYS 17 Cb 0.34 -1.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.33 1pwt n LYS 17 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1pwt s SER 18 N -0.29 -0.35 0.55 4.39 1.04 -1.26 -5.04 113.70 112.73 1pwt s SER 18 Ca 0.00 -0.38 0.28 0.00 0.48 0.00 0.00 55.95 56.33 1pwt s SER 18 Cb 0.00 0.63 1.45 0.00 0.10 0.00 0.00 66.02 68.21 1pwt s SER 18 CO 0.00 -1.13 1.95 -0.65 0.98 0.00 0.00 173.24 174.39 1pwt h PRO 19 N 2.07 0.00 -0.04 4.02 0.11 -2.02 -0.89 132.00 135.25 1pwt h PRO 19 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1pwt h PRO 19 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1pwt h PRO 19 CO 0.33 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 178.66 1pwt n ARG 20 N -4.18 1.99 -2.94 1.05 5.12 -1.26 -4.89 116.66 111.55 1pwt n ARG 20 Ca 0.12 -1.44 -0.19 0.00 -1.93 0.00 0.00 57.85 54.41 1pwt n ARG 20 Cb 0.71 -1.47 0.04 0.00 -1.16 0.00 0.00 32.46 30.58 1pwt n ARG 20 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1pwt s GLU 21 N -1.97 2.52 0.03 5.56 2.02 -0.34 -1.12 118.70 125.41 1pwt s GLU 21 Ca 0.33 -1.31 0.01 0.00 0.02 0.00 0.00 54.97 54.02 1pwt s GLU 21 Cb 0.20 -2.65 -0.02 0.00 0.10 0.00 0.00 34.13 31.76 1pwt s GLU 21 CO 0.32 -0.62 -0.05 0.54 0.02 0.00 0.00 175.26 175.47 1pwt s VAL 22 N -2.57 0.29 0.15 2.63 0.11 -0.99 -4.56 120.40 115.45 1pwt s VAL 22 Ca 0.59 -1.10 -0.19 0.00 -2.93 0.00 0.00 61.98 58.35 1pwt s VAL 22 Cb -0.08 -0.56 -0.07 0.00 -1.53 0.00 0.00 36.38 34.14 1pwt s VAL 22 CO 0.37 -0.53 0.63 -0.89 -3.33 0.00 0.00 175.10 171.35 1pwt s THR 23 N -1.77 4.68 0.03 5.04 2.01 -1.26 -4.17 115.64 120.21 1pwt s THR 23 Ca -0.11 1.17 -0.02 0.00 0.31 0.00 0.00 61.69 63.04 1pwt s THR 23 Cb -0.08 -3.86 -0.02 0.00 0.01 0.00 0.00 72.50 68.55 1pwt s THR 23 CO -0.02 0.35 0.01 0.00 -0.69 0.00 0.00 174.62 174.28 1pwt s MET 24 N -1.63 0.46 0.00 4.92 0.23 -0.34 -4.94 119.30 118.01 1pwt s MET 24 Ca 0.36 -0.77 0.01 0.00 -1.03 0.00 0.00 55.69 54.27 1pwt s MET 24 Cb -0.18 0.17 -0.04 0.00 -1.53 0.00 0.00 34.83 33.26 1pwt s MET 24 CO 0.20 -0.09 0.02 0.21 -2.03 0.00 0.00 175.02 173.33 1pwt s LYS 25 N -2.30 2.85 0.01 3.16 2.20 -1.26 -1.27 119.74 123.13 1pwt s LYS 25 Ca -0.08 -0.59 -0.36 0.00 -0.36 0.00 0.00 55.97 54.58 1pwt s LYS 25 Cb -0.04 -2.71 -0.15 0.00 -1.51 0.00 0.00 37.83 33.42 1pwt s LYS 25 CO -0.04 0.62 1.58 1.17 -0.36 0.00 0.00 175.35 178.33 1pwt n LYS 26 N 1.27 1.62 0.00 4.03 4.81 -1.24 -1.04 118.16 127.60 1pwt n LYS 26 Ca -0.14 0.59 0.00 0.00 -0.87 0.00 0.00 58.31 57.89 1pwt n LYS 26 Cb 0.53 -2.31 0.00 0.00 0.02 0.00 0.00 35.03 33.27 1pwt n LYS 26 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1pwt n GLY 27 N 3.42 1.14 3.75 3.14 0.00 -0.00 -4.94 105.19 111.70 1pwt n GLY 27 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 1pwt n GLY 27 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pwt s ASP 28 N -1.84 5.29 -0.31 1.61 1.01 -0.21 -4.69 116.67 117.53 1pwt s ASP 28 Ca 0.00 2.68 -0.06 0.00 0.71 0.00 0.00 52.55 55.87 1pwt s ASP 28 Cb 0.00 -2.63 0.02 0.00 1.01 0.00 0.00 42.92 41.32 1pwt s ASP 28 CO 0.00 -1.55 0.08 -0.63 0.21 0.00 0.00 175.17 173.28 1pwt s ILE 29 N -1.36 3.81 0.12 0.77 -1.09 -1.26 -0.26 121.20 121.93 1pwt s ILE 29 Ca 0.72 -0.89 0.04 0.00 -2.23 0.00 0.00 60.65 58.30 1pwt s ILE 29 Cb -0.38 -3.04 -0.04 0.00 -1.58 0.00 0.00 42.46 37.42 1pwt s ILE 29 CO 0.44 -0.01 0.07 -0.76 -1.23 0.00 0.00 174.94 173.45 1pwt s LEU 30 N 1.45 3.67 -0.05 2.97 1.43 0.09 -4.77 118.68 123.46 1pwt s LEU 30 Ca 0.01 -0.13 -0.22 0.00 -1.03 0.00 0.00 54.13 52.76 1pwt s LEU 30 Cb -0.18 -2.34 -0.04 0.00 0.03 0.00 0.00 46.19 43.66 1pwt s LEU 30 CO 0.02 0.13 0.66 -0.89 0.23 0.00 0.00 176.35 176.51 1pwt s THR 31 N -1.52 5.02 -0.31 5.49 2.01 -0.77 -0.58 115.64 124.98 1pwt s THR 31 Ca 0.29 1.37 -0.24 0.00 0.31 0.00 0.00 61.69 63.42 1pwt s THR 31 Cb -0.11 -4.00 0.00 0.00 0.01 0.00 0.00 72.50 68.40 1pwt s THR 31 CO 0.21 0.30 0.82 -0.22 -0.69 0.00 0.00 174.62 175.04 1pwt s LEU 32 N 0.55 4.07 -0.18 4.42 2.96 -0.06 -0.57 118.68 129.88 1pwt s LEU 32 Ca 0.35 0.70 -0.02 0.00 -0.22 0.00 0.00 54.13 54.94 1pwt s LEU 32 Cb -0.18 -3.13 -0.22 0.00 0.50 0.00 0.00 46.19 43.16 1pwt s LEU 32 CO 0.17 -0.65 0.10 0.18 -1.32 0.00 0.00 176.35 174.83 1pwt n LEU 33 N 6.29 2.75 -3.65 -0.68 4.77 0.12 -4.41 117.00 122.19 1pwt n LEU 33 Ca 0.05 0.05 -0.05 0.00 -0.03 0.00 0.00 56.01 56.03 1pwt n LEU 33 Cb 0.48 -1.00 -0.07 0.00 -2.33 0.00 0.00 43.42 40.51 1pwt n LEU 33 CO 0.51 0.89 0.20 0.21 -1.33 0.00 0.00 177.39 177.87 1pwt s ASN 34 N -6.78 -0.83 -0.16 -1.43 3.84 -0.92 -4.96 114.94 103.69 1pwt s ASN 34 Ca -0.28 1.36 0.15 0.00 0.21 0.00 0.00 52.86 54.30 1pwt s ASN 34 Cb 0.08 1.77 0.43 0.00 -0.55 0.00 0.00 41.25 42.97 1pwt s ASN 34 CO 0.69 -0.22 1.21 -1.54 -2.79 0.00 0.00 177.10 174.45 1pwt n SER 35 N 5.14 1.68 0.22 -4.21 3.41 -1.26 -0.87 113.62 117.73 1pwt n SER 35 Ca -0.13 -3.42 0.09 0.00 -0.26 0.00 0.00 58.87 55.15 1pwt n SER 35 Cb 0.51 -0.47 0.45 0.00 -0.26 0.00 0.00 64.21 64.45 1pwt n SER 35 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1pwt h THR 36 N 2.55 0.61 -3.19 6.66 1.35 -1.96 -3.43 112.91 115.50 1pwt h THR 36 Ca -0.04 -1.15 -0.58 0.00 -0.55 0.00 0.00 66.41 64.09 1pwt h THR 36 Cb 1.24 1.76 -0.04 0.00 -1.73 0.00 0.00 68.15 69.38 1pwt h THR 36 CO 0.06 0.24 -0.10 0.21 -0.25 0.00 0.00 175.52 175.67 1pwt s ASN 37 N -6.23 6.91 0.10 5.36 3.84 -1.26 -5.00 114.94 118.66 1pwt s ASN 37 Ca 0.00 1.11 0.25 0.00 0.21 0.00 0.00 52.86 54.43 1pwt s ASN 37 Cb 0.11 -2.30 0.61 0.00 -0.55 0.00 0.00 41.25 39.12 1pwt s ASN 37 CO 0.64 0.24 1.54 2.29 -2.79 0.00 0.00 177.10 179.01 1pwt n LYS 38 N 1.44 0.19 -0.09 0.43 2.85 -1.26 -4.11 118.16 117.61 1pwt n LYS 38 Ca -0.10 0.09 -0.10 0.00 -1.05 0.00 0.00 58.31 57.15 1pwt n LYS 38 Cb 0.52 -1.66 -0.13 0.00 -0.65 0.00 0.00 35.03 33.11 1pwt n LYS 38 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1pwt n ASP 39 N -1.96 1.09 -3.78 -5.58 8.00 -1.26 -4.72 116.55 108.34 1pwt n ASP 39 Ca 0.05 -0.03 -0.23 0.00 0.71 0.00 0.00 54.79 55.29 1pwt n ASP 39 Cb 0.40 0.62 -0.17 0.00 -0.02 0.00 0.00 41.12 41.95 1pwt n ASP 39 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1pwt s TRP 40 N -2.43 0.68 0.02 1.24 0.52 -1.26 -0.98 118.94 116.74 1pwt s TRP 40 Ca -0.14 -0.18 0.03 0.00 0.02 0.00 0.00 56.10 55.83 1pwt s TRP 40 Cb 0.06 -0.79 -0.04 0.00 -1.15 0.00 0.00 33.47 31.55 1pwt s TRP 40 CO 0.66 -0.32 -0.02 -1.58 0.02 0.00 0.00 176.95 175.72 1pwt s TRP 41 N 1.86 2.99 -0.20 -1.98 0.51 -0.29 -4.29 118.94 117.55 1pwt s TRP 41 Ca 0.03 0.02 -0.15 0.00 -2.12 0.00 0.00 56.10 53.88 1pwt s TRP 41 Cb -0.12 -1.62 -0.04 0.00 -0.81 0.00 0.00 33.47 30.88 1pwt s TRP 41 CO -0.05 0.44 0.33 0.21 -0.51 0.00 0.00 176.95 177.38 1pwt s LYS 42 N -1.71 4.18 0.22 4.98 2.20 -0.05 -1.46 119.74 128.10 1pwt s LYS 42 Ca 0.20 0.10 0.04 0.00 -0.36 0.00 0.00 55.97 55.96 1pwt s LYS 42 Cb -0.11 -3.51 -0.05 0.00 -1.51 0.00 0.00 37.83 32.65 1pwt s LYS 42 CO 0.11 0.05 -0.03 0.14 -0.36 0.00 0.00 175.35 175.27 1pwt s VAL 43 N 1.05 1.13 -0.21 4.02 -7.23 0.85 -0.71 120.40 119.30 1pwt s VAL 43 Ca 0.17 -2.05 -0.04 0.00 -1.81 0.00 0.00 61.98 58.25 1pwt s VAL 43 Cb -0.14 -2.27 -0.01 0.00 0.56 0.00 0.00 36.38 34.52 1pwt s VAL 43 CO 0.06 -0.40 -0.04 -0.70 -0.31 0.00 0.00 175.10 173.72 1pwt s GLU 44 N -3.83 3.42 -0.35 4.82 2.12 0.27 -1.37 118.70 123.78 1pwt s GLU 44 Ca 0.26 -0.61 -0.02 0.00 0.36 0.00 0.00 54.97 54.97 1pwt s GLU 44 Cb 0.05 -3.00 0.08 0.00 0.26 0.00 0.00 34.13 31.52 1pwt s GLU 44 CO 0.08 -0.13 0.10 0.08 -0.54 0.00 0.00 175.26 174.84 1pwt s VAL 45 N 1.32 3.08 0.00 3.70 1.01 0.18 -1.86 120.40 127.83 1pwt s VAL 45 Ca 0.04 -1.75 0.00 0.00 0.00 0.00 0.00 61.98 60.27 1pwt s VAL 45 Cb -0.14 -2.96 0.00 0.00 0.00 0.00 0.00 36.38 33.28 1pwt s VAL 45 CO -0.02 -0.40 0.00 -3.20 0.00 0.00 0.00 175.10 171.48 1pwt n ASN 46 N 4.58 0.00 -0.15 3.32 5.15 -1.26 -0.58 115.26 126.32 1pwt n ASN 46 Ca -0.07 0.00 0.04 0.00 -0.60 0.00 0.00 54.58 53.95 1pwt n ASN 46 Cb 0.42 0.00 0.07 0.00 -0.53 0.00 0.00 39.78 39.75 1pwt n ASN 46 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 1pwt n ASP 47 N 8.05 2.32 -4.48 1.20 8.00 -1.26 -5.02 116.55 125.36 1pwt n ASP 47 Ca 0.00 -2.35 -0.27 0.00 0.71 0.00 0.00 54.79 52.88 1pwt n ASP 47 Cb 0.00 -0.18 -0.11 0.00 -0.02 0.00 0.00 41.12 40.82 1pwt n ASP 47 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1pwt s ARG 48 N -1.61 1.74 0.05 -1.24 0.52 0.25 -5.14 118.95 113.52 1pwt s ARG 48 Ca 0.14 -1.38 0.05 0.00 -0.52 0.00 0.00 55.73 54.02 1pwt s ARG 48 Cb 0.11 -1.99 -0.02 0.00 0.52 0.00 0.00 34.95 33.56 1pwt s ARG 48 CO 0.03 0.43 -0.14 -0.65 0.02 0.00 0.00 175.30 174.98 1pwt s GLN 49 N -2.62 0.91 0.00 3.54 -0.21 -1.26 0.49 119.66 120.51 1pwt s GLN 49 Ca 0.21 -0.85 0.00 0.00 0.02 0.00 0.00 55.36 54.75 1pwt s GLN 49 Cb -0.09 -0.93 0.00 0.00 1.00 0.00 0.00 33.01 32.99 1pwt s GLN 49 CO 0.11 0.22 0.00 0.41 -2.12 0.00 0.00 175.29 173.92 1pwt n GLY 50 N 1.65 -1.56 3.84 3.09 0.00 -0.47 -4.69 105.19 107.05 1pwt n GLY 50 Ca -0.19 -1.05 -0.35 0.00 0.00 0.00 0.00 46.02 44.42 1pwt n GLY 50 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1pwt s PHE 51 N -2.41 3.60 0.08 1.61 0.08 -0.27 -0.10 117.98 120.56 1pwt s PHE 51 Ca 0.00 1.08 0.01 0.00 0.12 0.00 0.00 56.93 58.14 1pwt s PHE 51 Cb 0.00 -2.38 -0.04 0.00 -0.57 0.00 0.00 43.02 40.03 1pwt s PHE 51 CO 0.00 0.41 -0.06 0.14 -0.10 0.00 0.00 175.22 175.61 1pwt s VAL 52 N -1.49 0.54 0.21 -0.44 -7.23 -0.54 -2.35 120.40 109.09 1pwt s VAL 52 Ca 0.39 -1.75 -0.32 0.00 -1.81 0.00 0.00 61.98 58.49 1pwt s VAL 52 Cb -0.15 -1.44 -0.12 0.00 0.56 0.00 0.00 36.38 35.23 1pwt s VAL 52 CO 0.19 -0.82 1.73 -2.65 -0.31 0.00 0.00 175.10 173.24 1pwt n PRO 53 N 0.26 2.80 0.01 4.82 -0.02 -1.26 -1.13 135.00 140.48 1pwt n PRO 53 Ca -0.14 1.01 0.09 0.00 -2.02 0.00 0.00 63.50 62.44 1pwt n PRO 53 Cb 0.60 -2.86 0.51 0.00 -0.02 0.00 0.00 33.50 31.73 1pwt n PRO 53 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pwt h ALA 54 N 6.87 1.94 0.00 3.55 0.00 -1.34 -1.17 119.26 129.11 1pwt h ALA 54 Ca -0.43 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1pwt h ALA 54 Cb 1.20 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1pwt h ALA 54 CO 0.96 -0.01 0.00 0.00 0.00 0.00 0.00 179.25 180.20 1pwt h ALA 55 N 1.77 1.00 -0.01 0.00 0.00 -1.88 -2.67 119.26 117.47 1pwt h ALA 55 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1pwt h ALA 55 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1pwt h ALA 55 CO -0.04 0.00 -0.08 0.66 0.00 0.00 0.00 179.25 179.78 1pwt n TYR 56 N -2.38 0.00 -4.24 0.00 4.01 -0.44 -4.89 117.16 109.22 1pwt n TYR 56 Ca 0.01 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.60 1pwt n TYR 56 Cb 0.21 -0.03 -0.10 0.00 -0.31 0.00 0.00 39.34 39.10 1pwt n TYR 56 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 1pwt s VAL 57 N -2.15 1.19 -0.11 -0.72 -7.23 -1.01 -0.82 120.40 109.55 1pwt s VAL 57 Ca 0.33 -1.94 0.01 0.00 -1.81 0.00 0.00 61.98 58.56 1pwt s VAL 57 Cb 0.20 -1.73 0.02 0.00 0.56 0.00 0.00 36.38 35.44 1pwt s VAL 57 CO 0.39 -0.65 -0.11 -0.75 -0.31 0.00 0.00 175.10 173.66 1pwt s LYS 58 N -3.40 1.86 0.29 4.82 2.20 -0.12 -4.91 119.74 120.47 1pwt s LYS 58 Ca 0.14 -0.41 -0.30 0.00 -0.36 0.00 0.00 55.97 55.04 1pwt s LYS 58 Cb 0.00 -1.73 -0.12 0.00 -1.51 0.00 0.00 37.83 34.48 1pwt s LYS 58 CO 0.01 -0.17 1.62 1.63 -0.36 0.00 0.00 175.35 178.08 1pwt n LYS 59 N 4.55 2.73 -3.00 4.03 5.02 -1.26 -0.72 118.16 129.52 1pwt n LYS 59 Ca -0.17 0.97 -0.44 0.00 -2.02 0.00 0.00 58.31 56.65 1pwt n LYS 59 Cb 0.51 -2.77 -0.03 0.00 -0.02 0.00 0.00 35.03 32.72 1pwt n LYS 59 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1pwt s LEU 60 N -0.30 5.30 0.00 -0.35 1.43 -0.47 -4.88 118.68 119.40 1pwt s LEU 60 Ca 0.65 -2.00 0.00 0.00 -1.03 0.00 0.00 54.13 51.75 1pwt s LEU 60 Cb -0.49 -2.36 0.00 0.00 0.03 0.00 0.00 46.19 43.37 1pwt s LEU 60 CO 0.47 -1.02 0.00 -0.90 0.23 0.00 0.00 176.35 175.12