#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bkz s ASN 2 N 0.00 5.47 -0.27 -3.46 3.84 -1.26 -4.90 114.94 114.35 1bkz s ASN 2 Ca 0.00 -2.32 -0.01 0.00 0.21 0.00 0.00 52.86 50.74 1bkz s ASN 2 Cb 0.00 -1.91 0.08 0.00 -0.55 0.00 0.00 41.25 38.87 1bkz s ASN 2 CO 0.00 -0.53 0.06 -0.69 -2.79 0.00 0.00 177.10 173.16 1bkz s VAL 3 N 0.73 0.84 0.83 -5.21 1.01 -1.26 -5.06 120.40 112.29 1bkz s VAL 3 Ca 0.11 -1.14 -0.14 0.00 0.00 0.00 0.00 61.98 60.81 1bkz s VAL 3 Cb -0.22 -1.50 0.04 0.00 0.00 0.00 0.00 36.38 34.69 1bkz s VAL 3 CO -0.03 -0.49 0.76 -2.65 0.00 0.00 0.00 175.10 172.68 1bkz n PRO 4 N 4.89 0.03 -2.79 2.72 -0.02 -1.26 -4.93 135.00 133.63 1bkz n PRO 4 Ca -0.05 0.07 -0.39 0.00 -2.02 0.00 0.00 63.50 61.11 1bkz n PRO 4 Cb 0.44 -2.08 -0.06 0.00 -0.02 0.00 0.00 33.50 31.78 1bkz n PRO 4 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1bkz s HIS 5 N -2.18 3.91 -0.05 6.00 5.65 0.16 -4.89 115.29 123.89 1bkz s HIS 5 Ca 0.66 1.85 0.04 0.00 0.25 0.00 0.00 55.06 57.85 1bkz s HIS 5 Cb -0.28 -2.94 -0.00 0.00 -1.18 0.00 0.00 32.58 28.18 1bkz s HIS 5 CO 0.58 0.41 -0.17 0.15 -0.65 0.00 0.00 174.74 175.07 1bkz s LYS 6 N -1.39 1.82 -0.06 2.88 1.02 -1.26 -2.00 119.74 120.75 1bkz s LYS 6 Ca 0.43 -0.59 -0.01 0.00 0.02 0.00 0.00 55.97 55.81 1bkz s LYS 6 Cb -0.24 -1.56 0.03 0.00 -0.52 0.00 0.00 37.83 35.54 1bkz s LYS 6 CO 0.29 0.21 0.00 -1.12 -0.92 0.00 0.00 175.35 173.82 1bkz s SER 7 N 0.12 1.24 0.34 2.83 0.01 -0.49 -5.01 113.70 112.75 1bkz s SER 7 Ca -0.06 -0.06 -0.25 0.00 1.31 0.00 0.00 55.95 56.89 1bkz s SER 7 Cb -0.12 -0.37 -0.10 0.00 0.21 0.00 0.00 66.02 65.64 1bkz s SER 7 CO 0.03 -0.16 0.97 -0.44 0.41 0.00 0.00 173.24 174.04 1bkz s SER 8 N 1.67 7.21 -0.50 2.44 0.01 -1.26 -0.75 113.70 122.52 1bkz s SER 8 Ca -0.00 1.86 0.04 0.00 1.31 0.00 0.00 55.95 59.16 1bkz s SER 8 Cb -0.13 -2.58 0.13 0.00 0.21 0.00 0.00 66.02 63.65 1bkz s SER 8 CO -0.04 -0.16 0.23 -0.76 0.41 0.00 0.00 173.24 172.92 1bkz s LEU 9 N -2.24 4.41 0.09 2.44 1.43 -0.35 -4.91 118.68 119.55 1bkz s LEU 9 Ca 0.52 -2.88 -0.29 0.00 -1.03 0.00 0.00 54.13 50.45 1bkz s LEU 9 Cb -0.19 -1.65 -0.15 0.00 0.03 0.00 0.00 46.19 44.24 1bkz s LEU 9 CO 0.24 -0.26 1.66 -0.65 0.23 0.00 0.00 176.35 177.57 1bkz h PRO 10 N 6.68 -0.55 -0.00 1.29 0.11 -1.95 -1.95 132.00 135.62 1bkz h PRO 10 Ca -0.07 0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1bkz h PRO 10 Cb 0.91 0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1bkz h PRO 10 CO 0.66 -0.37 0.00 -1.91 -0.21 0.00 0.00 178.00 176.18 1bkz n GLU 11 N -5.36 1.08 0.00 1.05 4.07 -1.26 -5.01 120.64 115.21 1bkz n GLU 11 Ca -0.10 -0.12 0.00 0.00 -0.06 0.00 0.00 57.16 56.88 1bkz n GLU 11 Cb 0.27 -1.47 0.00 0.00 -0.06 0.00 0.00 31.44 30.18 1bkz n GLU 11 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1bkz n GLY 12 N 0.99 -1.15 3.42 8.31 0.00 -0.73 -4.92 105.19 111.11 1bkz n GLY 12 Ca 0.22 -1.21 -0.21 0.00 0.00 0.00 0.00 46.02 44.82 1bkz n GLY 12 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1bkz s ILE 13 N 0.00 2.07 0.19 -0.61 -4.36 -1.26 -4.96 121.20 112.27 1bkz s ILE 13 Ca 0.00 -2.29 -0.09 0.00 -0.26 0.00 0.00 60.65 58.02 1bkz s ILE 13 Cb 0.00 -2.22 -0.01 0.00 1.25 0.00 0.00 42.46 41.48 1bkz s ILE 13 CO 0.00 -0.47 0.32 -0.13 0.24 0.00 0.00 174.94 174.90 1bkz s ARG 14 N -3.59 1.28 0.11 0.37 0.52 -1.26 -4.53 118.95 111.84 1bkz s ARG 14 Ca 0.27 -1.27 -0.35 0.00 -0.52 0.00 0.00 55.73 53.86 1bkz s ARG 14 Cb -0.02 0.39 -0.15 0.00 0.52 0.00 0.00 34.95 35.69 1bkz s ARG 14 CO 0.11 -0.48 1.54 -2.30 0.02 0.00 0.00 175.30 174.19 1bkz n PRO 15 N -0.27 1.84 0.00 3.54 -0.02 -1.26 -0.87 135.00 137.95 1bkz n PRO 15 Ca -0.04 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 1bkz n PRO 15 Cb 0.63 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 1bkz n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bkz n GLY 16 N 3.25 1.81 3.72 -1.23 0.00 0.46 -4.96 105.19 108.25 1bkz n GLY 16 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1bkz n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bkz s THR 17 N -2.22 4.36 -0.10 2.61 2.01 -0.05 -4.93 115.64 117.31 1bkz s THR 17 Ca 0.00 1.79 0.04 0.00 0.31 0.00 0.00 61.69 63.83 1bkz s THR 17 Cb 0.00 -4.15 0.00 0.00 0.01 0.00 0.00 72.50 68.36 1bkz s THR 17 CO 0.00 0.20 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.21 1bkz s VAL 18 N 0.60 1.98 -0.23 3.82 1.01 -0.28 -2.32 120.40 124.99 1bkz s VAL 18 Ca 0.53 -0.97 -0.07 0.00 0.00 0.00 0.00 61.98 61.47 1bkz s VAL 18 Cb -0.26 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 1bkz s VAL 18 CO 0.30 0.54 0.05 -0.76 0.00 0.00 0.00 175.10 175.23 1bkz s LEU 19 N 0.45 3.45 -0.25 3.92 1.02 -0.30 -0.61 118.68 126.36 1bkz s LEU 19 Ca -0.17 -0.16 -0.04 0.00 0.02 0.00 0.00 54.13 53.78 1bkz s LEU 19 Cb -0.17 -1.91 0.01 0.00 0.02 0.00 0.00 46.19 44.14 1bkz s LEU 19 CO 0.07 0.02 -0.01 -0.60 0.02 0.00 0.00 176.35 175.84 1bkz s ARG 20 N 1.28 3.06 -0.16 1.70 3.52 0.14 -0.82 118.95 127.67 1bkz s ARG 20 Ca 0.05 -0.84 -0.01 0.00 -0.13 0.00 0.00 55.73 54.80 1bkz s ARG 20 Cb -0.15 -3.11 -0.01 0.00 -1.56 0.00 0.00 34.95 30.13 1bkz s ARG 20 CO 0.03 -0.36 -0.13 0.42 -0.81 0.00 0.00 175.30 174.46 1bkz s ILE 21 N 1.42 2.89 -0.01 4.11 1.01 -0.43 -0.80 121.20 129.38 1bkz s ILE 21 Ca 0.02 -0.69 0.08 0.00 0.00 0.00 0.00 60.65 60.06 1bkz s ILE 21 Cb -0.16 -2.24 -0.02 0.00 0.01 0.00 0.00 42.46 40.05 1bkz s ILE 21 CO -0.02 0.50 -0.26 -0.13 0.00 0.00 0.00 174.94 175.03 1bkz s ARG 22 N 0.85 2.08 0.03 2.79 0.52 -0.74 -0.91 118.95 123.57 1bkz s ARG 22 Ca -0.04 -0.95 -0.06 0.00 -0.52 0.00 0.00 55.73 54.16 1bkz s ARG 22 Cb -0.15 -2.04 0.02 0.00 0.52 0.00 0.00 34.95 33.31 1bkz s ARG 22 CO -0.00 0.56 0.30 0.41 0.02 0.00 0.00 175.30 176.58 1bkz n GLY 23 N 2.38 0.88 2.90 -3.53 0.00 -0.95 -0.83 105.19 106.04 1bkz n GLY 23 Ca -0.16 -0.94 -0.15 0.00 0.00 0.00 0.00 46.02 44.77 1bkz n GLY 23 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1bkz s LEU 24 N 0.00 1.79 -0.34 0.99 2.96 0.10 -0.57 118.68 123.61 1bkz s LEU 24 Ca 0.07 -0.05 -0.24 0.00 -0.22 0.00 0.00 54.13 53.69 1bkz s LEU 24 Cb -0.01 -0.18 0.01 0.00 0.50 0.00 0.00 46.19 46.51 1bkz s LEU 24 CO 0.01 0.00 0.81 -0.69 -1.32 0.00 0.00 176.35 175.16 1bkz s VAL 25 N 0.21 4.74 0.66 1.68 1.01 -0.66 -1.16 120.40 126.88 1bkz s VAL 25 Ca -0.02 1.08 -0.17 0.00 0.00 0.00 0.00 61.98 62.87 1bkz s VAL 25 Cb -0.04 -4.20 -0.05 0.00 0.00 0.00 0.00 36.38 32.09 1bkz s VAL 25 CO -0.00 -0.36 0.66 -2.65 0.00 0.00 0.00 175.10 172.75 1bkz n PRO 26 N 6.36 0.49 -0.36 2.72 -0.02 -1.26 0.13 135.00 143.07 1bkz n PRO 26 Ca 0.04 0.21 0.04 0.00 -2.02 0.00 0.00 63.50 61.76 1bkz n PRO 26 Cb 0.48 -1.90 0.19 0.00 -0.02 0.00 0.00 33.50 32.25 1bkz n PRO 26 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1bkz h PRO 27 N -0.03 1.05 -0.65 0.52 0.11 -1.94 -1.88 132.00 129.17 1bkz h PRO 27 Ca -0.46 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1bkz h PRO 27 Cb 1.37 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1bkz h PRO 27 CO 0.46 0.70 0.00 0.27 -0.21 0.00 0.00 178.00 179.21 1bkz n ASN 28 N -4.56 4.72 -4.60 -2.05 6.94 -1.26 -4.70 115.26 109.75 1bkz n ASN 28 Ca 0.16 -2.47 -0.53 0.00 -0.02 0.00 0.00 54.58 51.73 1bkz n ASN 28 Cb 0.24 -0.58 -0.06 0.00 -2.36 0.00 0.00 39.78 37.02 1bkz n ASN 28 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1bkz n ALA 29 N 1.07 -1.04 -0.12 -2.53 0.00 -0.71 -4.91 120.51 112.26 1bkz n ALA 29 Ca 0.25 0.51 -0.26 0.00 0.00 0.00 0.00 53.44 53.94 1bkz n ALA 29 Cb 0.89 -2.07 -0.11 0.00 0.00 0.00 0.00 19.45 18.17 1bkz n ALA 29 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1bkz n SER 30 N 2.69 1.91 -3.63 0.00 2.88 -1.26 -4.55 113.62 111.66 1bkz n SER 30 Ca 0.19 0.38 -0.04 0.00 -1.33 0.00 0.00 58.87 58.07 1bkz n SER 30 Cb 0.18 -0.89 -0.04 0.00 -0.75 0.00 0.00 64.21 62.72 1bkz n SER 30 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1bkz s ARG 31 N -2.44 0.17 0.31 -1.46 1.70 -1.26 -1.59 118.95 114.38 1bkz s ARG 31 Ca -0.34 0.01 0.05 0.00 -0.47 0.00 0.00 55.73 54.97 1bkz s ARG 31 Cb 0.11 0.08 -0.03 0.00 -0.57 0.00 0.00 34.95 34.54 1bkz s ARG 31 CO 0.54 -0.06 0.21 -0.59 -1.08 0.00 0.00 175.30 174.32 1bkz s PHE 32 N -1.37 1.62 0.15 5.89 -0.71 -1.13 -0.88 117.98 121.56 1bkz s PHE 32 Ca 0.08 -1.51 -0.15 0.00 -1.04 0.00 0.00 56.93 54.30 1bkz s PHE 32 Cb -0.01 -0.77 0.03 0.00 -1.21 0.00 0.00 43.02 41.06 1bkz s PHE 32 CO -0.05 -0.69 0.42 -3.38 -1.34 0.00 0.00 175.22 170.17 1bkz s HIS 33 N -3.58 -0.09 -0.10 3.49 -3.43 0.22 -2.99 115.29 108.81 1bkz s HIS 33 Ca 0.38 -0.25 -0.00 0.00 -0.80 0.00 0.00 55.06 54.39 1bkz s HIS 33 Cb 0.04 0.26 0.02 0.00 -1.43 0.00 0.00 32.58 31.47 1bkz s HIS 33 CO 0.21 -0.77 -0.07 0.08 -2.00 0.00 0.00 174.74 172.19 1bkz s VAL 34 N -3.85 0.91 -0.05 -5.38 1.01 0.06 -1.17 120.40 111.92 1bkz s VAL 34 Ca 0.07 -0.24 0.05 0.00 0.00 0.00 0.00 61.98 61.86 1bkz s VAL 34 Cb 0.01 -0.94 -0.02 0.00 0.00 0.00 0.00 36.38 35.44 1bkz s VAL 34 CO -0.07 0.34 -0.19 0.20 0.00 0.00 0.00 175.10 175.37 1bkz s ASN 35 N 1.57 3.57 -0.36 3.32 0.01 0.95 -1.08 114.94 122.91 1bkz s ASN 35 Ca 0.02 -0.35 -0.08 0.00 -0.71 0.00 0.00 52.86 51.74 1bkz s ASN 35 Cb -0.13 -0.83 0.05 0.00 0.41 0.00 0.00 41.25 40.75 1bkz s ASN 35 CO -0.06 0.29 0.16 -0.76 -1.51 0.00 0.00 177.10 175.22 1bkz s LEU 36 N -0.43 4.60 0.28 0.60 1.43 0.20 -0.84 118.68 124.53 1bkz s LEU 36 Ca 0.05 -1.22 0.07 0.00 -1.03 0.00 0.00 54.13 52.00 1bkz s LEU 36 Cb -0.12 -1.92 -0.03 0.00 0.03 0.00 0.00 46.19 44.15 1bkz s LEU 36 CO 0.02 -0.39 0.28 -0.76 0.23 0.00 0.00 176.35 175.72 1bkz s LEU 37 N 1.43 3.87 0.00 1.79 1.43 -0.20 0.03 118.68 127.03 1bkz s LEU 37 Ca 0.00 -0.25 0.22 0.00 -1.03 0.00 0.00 54.13 53.07 1bkz s LEU 37 Cb -0.20 -2.45 0.14 0.00 0.03 0.00 0.00 46.19 43.71 1bkz s LEU 37 CO 0.03 -0.16 1.16 0.00 0.23 0.00 0.00 176.35 177.61 1bkz s GLY 39 N -1.94 -0.03 0.00 0.00 0.00 -1.26 -4.55 107.32 99.54 1bkz s GLY 39 Ca 0.24 -0.30 0.25 0.00 0.00 0.00 0.00 44.72 44.91 1bkz s GLY 39 CO 0.33 0.03 1.40 1.18 0.00 0.00 0.00 173.10 176.04 1bkz n GLU 40 N -0.49 0.99 -2.82 2.90 1.02 -1.26 -4.81 120.64 116.16 1bkz n GLU 40 Ca -0.05 -0.68 -0.32 0.00 -0.02 0.00 0.00 57.16 56.08 1bkz n GLU 40 Cb 0.60 -1.49 -0.06 0.00 -0.02 0.00 0.00 31.44 30.47 1bkz n GLU 40 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1bkz s GLU 41 N -2.48 4.08 0.18 3.49 8.01 -1.26 -4.99 118.70 125.72 1bkz s GLU 41 Ca 0.23 0.91 -0.32 0.00 0.01 0.00 0.00 54.97 55.80 1bkz s GLU 41 Cb 0.19 -2.25 -0.12 0.00 -4.31 0.00 0.00 34.13 27.63 1bkz s GLU 41 CO 0.53 -0.03 1.72 1.04 0.01 0.00 0.00 175.26 178.54 1bkz n GLN 42 N -0.81 2.65 -1.01 1.61 6.02 -1.26 -1.63 117.38 122.95 1bkz n GLN 42 Ca 0.06 0.96 -0.00 0.00 -0.01 0.00 0.00 57.00 58.00 1bkz n GLN 42 Cb 0.54 -2.80 -0.00 0.00 1.02 0.00 0.00 30.24 29.00 1bkz n GLN 42 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1bkz n GLY 43 N 3.93 0.47 3.71 1.08 0.00 -1.26 -5.03 105.19 108.09 1bkz n GLY 43 Ca 0.17 -0.31 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 1bkz n GLY 43 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bkz s SER 44 N -2.29 3.61 0.73 1.61 1.04 -0.64 -4.65 113.70 113.10 1bkz s SER 44 Ca 0.00 1.79 -0.16 0.00 0.48 0.00 0.00 55.95 58.07 1bkz s SER 44 Cb 0.00 -2.42 0.04 0.00 0.10 0.00 0.00 66.02 63.74 1bkz s SER 44 CO 0.00 -2.60 1.25 0.47 0.98 0.00 0.00 173.24 173.34 1bkz n ASP 45 N -3.88 1.57 -4.06 7.02 8.00 -1.26 -4.77 116.55 119.16 1bkz n ASP 45 Ca 0.09 0.71 -0.32 0.00 0.71 0.00 0.00 54.79 55.98 1bkz n ASP 45 Cb 0.53 -1.54 -0.15 0.00 -0.02 0.00 0.00 41.12 39.95 1bkz n ASP 45 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bkz s ALA 46 N -1.76 2.39 0.28 2.24 0.00 -0.76 -0.64 121.76 123.51 1bkz s ALA 46 Ca 0.78 -1.55 0.01 0.00 0.00 0.00 0.00 51.96 51.21 1bkz s ALA 46 Cb -0.33 -1.45 0.41 0.00 0.00 0.00 0.00 23.12 21.75 1bkz s ALA 46 CO 0.45 -0.97 1.75 0.00 0.00 0.00 0.00 175.76 177.00 1bkz h ALA 47 N 7.85 1.14 -3.19 0.00 0.00 -0.69 -2.37 119.26 122.00 1bkz h ALA 47 Ca -0.26 -0.30 -0.21 0.00 0.00 0.00 0.00 54.91 54.15 1bkz h ALA 47 Cb 1.07 -0.15 -0.29 0.00 0.00 0.00 0.00 17.79 18.42 1bkz h ALA 47 CO 0.50 0.54 -0.53 -1.17 0.00 0.00 0.00 179.25 178.58 1bkz s LEU 48 N -8.88 0.81 -0.24 0.00 2.96 -1.17 -4.68 118.68 107.48 1bkz s LEU 48 Ca -0.08 0.39 0.01 0.00 -0.22 0.00 0.00 54.13 54.23 1bkz s LEU 48 Cb 0.14 0.56 0.06 0.00 0.50 0.00 0.00 46.19 47.45 1bkz s LEU 48 CO 0.79 -0.13 -0.04 -2.28 -1.32 0.00 0.00 176.35 173.38 1bkz s HIS 49 N 0.87 2.31 -0.27 5.38 5.65 0.80 -0.63 115.29 129.40 1bkz s HIS 49 Ca -0.06 -1.73 -0.05 0.00 0.25 0.00 0.00 55.06 53.47 1bkz s HIS 49 Cb -0.08 -1.58 0.01 0.00 -1.18 0.00 0.00 32.58 29.74 1bkz s HIS 49 CO -0.05 -0.77 0.03 0.12 -0.65 0.00 0.00 174.74 173.42 1bkz s PHE 50 N 1.42 3.09 -0.46 3.88 5.36 -0.24 -1.55 117.98 129.49 1bkz s PHE 50 Ca -0.04 -1.05 0.03 0.00 -0.96 0.00 0.00 56.93 54.91 1bkz s PHE 50 Cb -0.19 -2.19 0.15 0.00 -0.34 0.00 0.00 43.02 40.46 1bkz s PHE 50 CO -0.07 -0.59 0.31 1.21 -1.46 0.00 0.00 175.22 174.63 1bkz s ASN 51 N 1.47 2.97 -0.05 6.13 3.04 0.19 -0.76 114.94 127.92 1bkz s ASN 51 Ca 0.03 -2.92 -0.30 0.00 0.04 0.00 0.00 52.86 49.71 1bkz s ASN 51 Cb -0.16 -0.83 -0.05 0.00 -1.54 0.00 0.00 41.25 38.67 1bkz s ASN 51 CO 0.00 -0.21 1.64 -2.84 -3.04 0.00 0.00 177.10 172.65 1bkz s PRO 52 N 0.05 4.18 -0.40 0.43 0.02 -1.16 -2.01 135.00 136.11 1bkz s PRO 52 Ca 0.24 2.17 -0.08 0.00 0.02 0.00 0.00 61.00 63.35 1bkz s PRO 52 Cb -0.11 -3.97 0.07 0.00 0.02 0.00 0.00 34.50 30.51 1bkz s PRO 52 CO -0.10 -0.84 0.23 1.03 -0.33 0.00 0.00 177.00 176.99 1bkz s ARG 53 N 3.98 2.57 0.03 5.54 0.52 0.25 -2.83 118.95 129.02 1bkz s ARG 53 Ca 0.73 -1.42 -0.21 0.00 -0.52 0.00 0.00 55.73 54.31 1bkz s ARG 53 Cb -0.33 -3.71 -0.15 0.00 0.52 0.00 0.00 34.95 31.28 1bkz s ARG 53 CO 0.29 -0.90 1.34 -0.07 0.02 0.00 0.00 175.30 175.97 1bkz h LEU 54 N 8.35 0.34 -1.20 2.53 -0.00 -1.55 -0.14 115.31 123.65 1bkz h LEU 54 Ca -0.22 -0.48 -0.04 0.00 -0.00 0.00 0.00 57.88 57.14 1bkz h LEU 54 Cb 1.08 -0.10 -0.02 0.00 -0.00 0.00 0.00 40.66 41.62 1bkz h LEU 54 CO 0.72 0.75 0.14 -2.24 -0.00 0.00 0.00 178.44 177.82 1bkz h ASP 55 N -0.06 0.64 -0.08 -0.43 2.03 -1.74 -2.59 116.42 114.19 1bkz h ASP 55 Ca 0.02 -0.09 0.00 0.00 -0.73 0.00 0.00 57.03 56.23 1bkz h ASP 55 Cb 0.65 -0.17 0.00 0.00 -0.83 0.00 0.00 39.33 38.99 1bkz h ASP 55 CO 0.03 0.62 0.00 0.35 -1.03 0.00 0.00 179.24 179.21 1bkz n THR 56 N -4.32 0.07 -3.65 1.15 -2.24 -1.24 -5.00 114.28 99.05 1bkz n THR 56 Ca 0.03 -0.53 -0.22 0.00 -2.27 0.00 0.00 64.05 61.06 1bkz n THR 56 Cb 0.19 1.42 0.04 0.00 -2.10 0.00 0.00 70.33 69.88 1bkz n THR 56 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1bkz n SER 57 N 1.35 -2.49 -3.66 3.42 7.64 -0.17 -5.02 113.62 114.69 1bkz n SER 57 Ca 0.15 -0.84 -0.13 0.00 1.01 0.00 0.00 58.87 59.05 1bkz n SER 57 Cb 0.59 -4.06 -0.06 0.00 -1.01 0.00 0.00 64.21 59.67 1bkz n SER 57 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1bkz s GLU 58 N -5.80 0.91 -0.23 1.43 -1.05 -0.55 -4.70 118.70 108.71 1bkz s GLU 58 Ca 0.14 -0.29 0.00 0.00 -0.15 0.00 0.00 54.97 54.67 1bkz s GLU 58 Cb -0.04 0.41 0.03 0.00 -0.44 0.00 0.00 34.13 34.09 1bkz s GLU 58 CO 0.81 -0.31 -0.11 0.08 0.95 0.00 0.00 175.26 176.69 1bkz s VAL 59 N -2.25 2.51 -0.15 1.83 1.01 -1.26 0.86 120.40 122.96 1bkz s VAL 59 Ca -0.07 -1.11 -0.09 0.00 0.00 0.00 0.00 61.98 60.71 1bkz s VAL 59 Cb -0.01 -2.26 -0.05 0.00 0.00 0.00 0.00 36.38 34.07 1bkz s VAL 59 CO -0.01 0.25 0.16 -0.69 0.00 0.00 0.00 175.10 174.82 1bkz s VAL 60 N 1.27 5.43 0.10 2.92 1.01 -0.85 -1.60 120.40 128.68 1bkz s VAL 60 Ca -0.00 0.26 0.08 0.00 0.00 0.00 0.00 61.98 62.32 1bkz s VAL 60 Cb -0.16 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 1bkz s VAL 60 CO -0.07 0.52 -0.17 -0.36 0.00 0.00 0.00 175.10 175.01 1bkz s PHE 61 N -0.28 2.55 -0.02 5.22 0.40 0.12 -0.64 117.98 125.33 1bkz s PHE 61 Ca 0.12 -0.25 -0.30 0.00 -0.60 0.00 0.00 56.93 55.90 1bkz s PHE 61 Cb -0.12 -1.37 0.12 0.00 0.51 0.00 0.00 43.02 42.16 1bkz s PHE 61 CO 0.02 0.37 1.29 1.21 0.70 0.00 0.00 175.22 178.80 1bkz s ASN 62 N -2.03 -0.06 0.21 1.36 3.84 -0.59 -0.96 114.94 116.71 1bkz s ASN 62 Ca 0.18 -0.13 0.03 0.00 0.21 0.00 0.00 52.86 53.14 1bkz s ASN 62 Cb -0.11 0.16 -0.05 0.00 -0.55 0.00 0.00 41.25 40.70 1bkz s ASN 62 CO 0.09 -0.29 0.00 -0.94 -2.79 0.00 0.00 177.10 173.17 1bkz s SER 63 N -2.99 1.54 -0.06 -4.21 1.04 -1.26 -0.14 113.70 107.62 1bkz s SER 63 Ca 0.14 -1.21 -0.01 0.00 0.48 0.00 0.00 55.95 55.36 1bkz s SER 63 Cb 0.05 0.06 0.03 0.00 0.10 0.00 0.00 66.02 66.26 1bkz s SER 63 CO -0.04 -0.54 0.00 -0.75 0.98 0.00 0.00 173.24 172.89 1bkz s LYS 64 N -3.89 0.48 -0.04 4.02 2.20 -0.89 -1.90 119.74 119.72 1bkz s LYS 64 Ca 0.27 0.12 0.04 0.00 -0.36 0.00 0.00 55.97 56.04 1bkz s LYS 64 Cb 0.06 -0.80 -0.00 0.00 -1.51 0.00 0.00 37.83 35.58 1bkz s LYS 64 CO 0.07 -0.25 -0.15 -1.21 -0.36 0.00 0.00 175.35 173.44 1bkz s GLU 65 N 1.71 1.59 0.00 4.03 2.02 -0.31 -1.83 118.70 125.90 1bkz s GLU 65 Ca 0.00 -0.54 0.00 0.00 0.02 0.00 0.00 54.97 54.45 1bkz s GLU 65 Cb -0.13 -1.40 0.00 0.00 0.10 0.00 0.00 34.13 32.70 1bkz s GLU 65 CO -0.04 0.22 0.00 1.04 0.02 0.00 0.00 175.26 176.50 1bkz n GLN 66 N 3.16 -1.56 0.00 1.61 1.13 -1.26 -1.47 117.38 118.99 1bkz n GLN 66 Ca -0.18 0.37 0.00 0.00 -1.94 0.00 0.00 57.00 55.25 1bkz n GLN 66 Cb 0.53 -4.78 0.00 0.00 0.11 0.00 0.00 30.24 26.10 1bkz n GLN 66 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1bkz n GLY 67 N 0.34 0.91 3.22 1.08 0.00 -1.26 -5.10 105.19 104.38 1bkz n GLY 67 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1bkz n GLY 67 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bkz s SER 68 N -1.49 2.40 0.96 1.61 1.04 -0.54 -5.13 113.70 112.56 1bkz s SER 68 Ca 0.00 -0.40 -0.12 0.00 0.48 0.00 0.00 55.95 55.91 1bkz s SER 68 Cb 0.00 -0.25 0.17 0.00 0.10 0.00 0.00 66.02 66.03 1bkz s SER 68 CO 0.00 0.23 1.09 0.26 0.98 0.00 0.00 173.24 175.80 1bkz s TRP 69 N -0.54 2.11 0.00 5.02 0.52 -1.26 -1.17 118.94 123.62 1bkz s TRP 69 Ca 0.08 1.18 0.00 0.00 0.02 0.00 0.00 56.10 57.38 1bkz s TRP 69 Cb -0.08 -3.20 0.00 0.00 -1.15 0.00 0.00 33.47 29.04 1bkz s TRP 69 CO -0.00 -2.75 0.00 0.41 0.02 0.00 0.00 176.95 174.63 1bkz n GLY 70 N -0.84 5.43 3.58 0.98 0.00 -0.80 -4.84 105.19 108.70 1bkz n GLY 70 Ca 0.06 -1.74 -0.41 0.00 0.00 0.00 0.00 46.02 43.93 1bkz n GLY 70 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bkz s ARG 71 N 1.86 3.03 -0.08 1.61 1.81 -1.26 -4.88 118.95 121.04 1bkz s ARG 71 Ca 0.00 1.09 -0.30 0.00 -1.72 0.00 0.00 55.73 54.80 1bkz s ARG 71 Cb 0.00 -4.28 -0.02 0.00 -0.45 0.00 0.00 34.95 30.21 1bkz s ARG 71 CO 0.00 -2.23 1.06 -2.00 -0.68 0.00 0.00 175.30 171.45 1bkz s GLU 72 N 6.25 4.41 0.05 3.54 2.12 -1.26 -4.71 118.70 129.09 1bkz s GLU 72 Ca 0.75 1.48 0.01 0.00 0.36 0.00 0.00 54.97 57.56 1bkz s GLU 72 Cb -0.18 -3.53 -0.04 0.00 0.26 0.00 0.00 34.13 30.64 1bkz s GLU 72 CO 0.28 -0.33 0.13 -1.21 -0.54 0.00 0.00 175.26 173.59 1bkz s GLU 73 N 1.97 3.16 0.10 4.30 2.02 -0.14 -4.93 118.70 125.18 1bkz s GLU 73 Ca 0.51 -0.53 0.10 0.00 0.02 0.00 0.00 54.97 55.07 1bkz s GLU 73 Cb -0.20 -2.90 -0.04 0.00 0.10 0.00 0.00 34.13 31.09 1bkz s GLU 73 CO 0.20 0.61 -0.26 0.50 0.02 0.00 0.00 175.26 176.33 1bkz s ARG 74 N -2.24 1.51 0.66 1.61 3.52 -1.26 0.12 118.95 122.87 1bkz s ARG 74 Ca 0.30 -1.24 -0.01 0.00 -0.13 0.00 0.00 55.73 54.64 1bkz s ARG 74 Cb -0.12 -1.87 0.08 0.00 -1.56 0.00 0.00 34.95 31.48 1bkz s ARG 74 CO 0.22 0.46 0.92 0.20 -0.81 0.00 0.00 175.30 176.29 1bkz s GLY 75 N -1.73 1.78 -0.78 8.12 0.00 -0.63 -4.98 107.32 109.10 1bkz s GLY 75 Ca 0.12 -1.45 -0.24 0.00 0.00 0.00 0.00 44.72 43.16 1bkz s GLY 75 CO 0.04 -1.00 1.17 2.56 0.00 0.00 0.00 173.10 175.87 1bkz s PRO 76 N -5.04 3.28 0.57 2.90 0.04 -1.26 -4.69 135.00 130.80 1bkz s PRO 76 Ca 0.62 -0.82 0.00 0.00 0.04 0.00 0.00 61.00 60.84 1bkz s PRO 76 Cb -0.08 -4.49 0.00 0.00 0.04 0.00 0.00 34.50 29.97 1bkz s PRO 76 CO 0.42 -1.98 0.00 0.41 0.04 0.00 0.00 177.00 175.89 1bkz n GLY 77 N 5.62 -2.22 2.90 0.56 0.00 -1.26 -4.81 105.19 105.98 1bkz n GLY 77 Ca 0.08 -1.58 -0.30 0.00 0.00 0.00 0.00 46.02 44.22 1bkz n GLY 77 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bkz s VAL 78 N -0.31 1.63 -0.74 1.61 1.01 -1.26 -4.32 120.40 118.03 1bkz s VAL 78 Ca 0.00 -1.77 0.00 0.00 0.00 0.00 0.00 61.98 60.21 1bkz s VAL 78 Cb 0.00 -2.14 0.00 0.00 0.00 0.00 0.00 36.38 34.24 1bkz s VAL 78 CO 0.00 -0.51 0.63 -0.81 0.00 0.00 0.00 175.10 174.41 1bkz n PRO 79 N 4.55 1.01 -4.34 2.72 -0.04 -1.26 -4.79 135.00 132.85 1bkz n PRO 79 Ca -0.02 -0.01 -0.23 0.00 -0.04 0.00 0.00 63.50 63.20 1bkz n PRO 79 Cb 0.42 -1.37 -0.13 0.00 -0.04 0.00 0.00 33.50 32.38 1bkz n PRO 79 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1bkz s PHE 80 N -0.75 1.66 -0.00 0.54 0.40 -1.26 -4.97 117.98 113.60 1bkz s PHE 80 Ca 0.00 -0.41 0.01 0.00 -0.60 0.00 0.00 56.93 55.93 1bkz s PHE 80 Cb 0.00 -0.93 -0.00 0.00 0.51 0.00 0.00 43.02 42.60 1bkz s PHE 80 CO 0.00 0.15 -0.02 -1.14 0.70 0.00 0.00 175.22 174.91 1bkz s GLN 81 N -1.69 0.19 0.56 0.44 0.74 -1.26 -5.05 119.66 113.59 1bkz s GLN 81 Ca 0.05 -0.09 -0.20 0.00 0.05 0.00 0.00 55.36 55.17 1bkz s GLN 81 Cb -0.10 -0.18 -0.06 0.00 1.10 0.00 0.00 33.01 33.78 1bkz s GLN 81 CO 0.03 0.05 1.04 0.54 -0.55 0.00 0.00 175.29 176.40 1bkz n ARG 82 N 3.01 1.11 -0.48 1.67 1.74 -1.26 -2.05 116.66 120.39 1bkz n ARG 82 Ca -0.12 0.42 0.00 0.00 -0.77 0.00 0.00 57.85 57.37 1bkz n ARG 82 Cb 0.59 -2.21 0.00 0.00 -1.02 0.00 0.00 32.46 29.82 1bkz n ARG 82 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1bkz n GLY 83 N 1.18 0.66 3.72 -0.13 0.00 0.36 -4.88 105.19 106.11 1bkz n GLY 83 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 1bkz n GLY 83 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bkz s GLN 84 N -0.41 3.00 0.52 1.61 -1.52 -0.87 -4.85 119.66 117.14 1bkz s GLN 84 Ca 0.00 -0.45 -0.14 0.00 -1.95 0.00 0.00 55.36 52.82 1bkz s GLN 84 Cb 0.00 -2.82 -0.07 0.00 -0.22 0.00 0.00 33.01 29.91 1bkz s GLN 84 CO 0.00 0.68 0.96 -1.25 -0.25 0.00 0.00 175.29 175.43 1bkz s PRO 85 N -1.24 3.85 0.07 2.91 0.04 -1.26 -1.65 135.00 137.72 1bkz s PRO 85 Ca 0.17 0.83 -0.04 0.00 0.04 0.00 0.00 61.00 62.00 1bkz s PRO 85 Cb -0.12 -2.16 -0.02 0.00 0.04 0.00 0.00 34.50 32.24 1bkz s PRO 85 CO 0.07 -0.30 0.07 -0.59 0.04 0.00 0.00 177.00 176.29 1bkz s PHE 86 N -2.71 0.39 -0.05 0.56 -0.12 0.26 -4.93 117.98 111.38 1bkz s PHE 86 Ca 0.57 -0.88 0.01 0.00 -0.05 0.00 0.00 56.93 56.57 1bkz s PHE 86 Cb -0.10 -0.25 0.02 0.00 -0.63 0.00 0.00 43.02 42.06 1bkz s PHE 86 CO 0.36 -0.46 -0.04 -2.00 -0.05 0.00 0.00 175.22 173.03 1bkz s GLU 87 N -3.91 0.78 -0.02 1.99 2.12 -1.26 -2.23 118.70 116.17 1bkz s GLU 87 Ca 0.08 -0.07 0.06 0.00 0.36 0.00 0.00 54.97 55.40 1bkz s GLU 87 Cb 0.07 -0.85 -0.01 0.00 0.26 0.00 0.00 34.13 33.59 1bkz s GLU 87 CO -0.09 -0.12 -0.20 0.08 -0.54 0.00 0.00 175.26 174.38 1bkz s VAL 88 N 1.08 1.61 -0.14 3.70 1.01 -0.09 -1.31 120.40 126.26 1bkz s VAL 88 Ca -0.08 -0.87 0.02 0.00 0.00 0.00 0.00 61.98 61.04 1bkz s VAL 88 Cb -0.14 -1.35 0.01 0.00 0.00 0.00 0.00 36.38 34.90 1bkz s VAL 88 CO -0.01 0.46 -0.20 -0.76 0.00 0.00 0.00 175.10 174.59 1bkz s LEU 89 N -0.43 2.24 -0.29 3.92 1.43 0.41 -1.32 118.68 124.65 1bkz s LEU 89 Ca 0.07 -0.55 -0.06 0.00 -1.03 0.00 0.00 54.13 52.55 1bkz s LEU 89 Cb -0.08 -1.49 0.01 0.00 0.03 0.00 0.00 46.19 44.66 1bkz s LEU 89 CO -0.00 0.09 0.06 -0.63 0.23 0.00 0.00 176.35 176.10 1bkz s ILE 90 N 0.78 3.82 -0.22 -0.59 1.01 -0.00 -0.94 121.20 125.06 1bkz s ILE 90 Ca -0.07 -0.75 -0.06 0.00 0.00 0.00 0.00 60.65 59.77 1bkz s ILE 90 Cb -0.16 -2.97 -0.02 0.00 0.01 0.00 0.00 42.46 39.32 1bkz s ILE 90 CO -0.01 0.09 0.02 -0.63 0.00 0.00 0.00 174.94 174.41 1bkz s ILE 91 N 1.47 3.96 -0.19 2.92 1.01 0.92 -1.14 121.20 130.15 1bkz s ILE 91 Ca 0.02 -0.30 -0.20 0.00 0.00 0.00 0.00 60.65 60.17 1bkz s ILE 91 Cb -0.17 -2.82 -0.03 0.00 0.01 0.00 0.00 42.46 39.45 1bkz s ILE 91 CO 0.02 0.39 0.59 0.00 0.00 0.00 0.00 174.94 175.94 1bkz s ALA 92 N 1.35 3.53 0.51 9.38 0.00 -0.98 0.36 121.76 135.92 1bkz s ALA 92 Ca 0.05 -0.29 0.01 0.00 0.00 0.00 0.00 51.96 51.72 1bkz s ALA 92 Cb -0.15 -2.90 -0.00 0.00 0.00 0.00 0.00 23.12 20.07 1bkz s ALA 92 CO 0.01 -0.46 0.03 -1.13 0.00 0.00 0.00 175.76 174.20 1bkz n SER 93 N 4.82 3.10 0.20 0.00 3.41 0.03 -0.40 113.62 124.78 1bkz n SER 93 Ca -0.03 -3.31 0.04 0.00 -0.26 0.00 0.00 58.87 55.31 1bkz n SER 93 Cb 0.50 0.49 0.41 0.00 -0.26 0.00 0.00 64.21 65.34 1bkz n SER 93 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 1bkz h ASP 94 N 1.34 0.00 -0.11 4.04 3.04 -1.96 -3.16 116.42 119.60 1bkz h ASP 94 Ca -0.42 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.37 1bkz h ASP 94 Cb 1.32 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.61 1bkz h ASP 94 CO 0.69 0.32 0.00 -0.90 -2.04 0.00 0.00 179.24 177.32 1bkz n ASP 95 N -4.07 2.88 0.00 4.15 5.68 -1.26 -4.95 116.55 118.98 1bkz n ASP 95 Ca -0.02 -1.89 0.00 0.00 -0.50 0.00 0.00 54.79 52.38 1bkz n ASP 95 Cb 0.37 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.30 1bkz n ASP 95 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1bkz n GLY 96 N 1.21 -1.42 3.54 6.12 0.00 -1.20 -2.95 105.19 110.49 1bkz n GLY 96 Ca 0.13 -1.24 -0.34 0.00 0.00 0.00 0.00 46.02 44.58 1bkz n GLY 96 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bkz s PHE 97 N -2.96 3.04 -0.19 1.61 0.08 0.98 -0.79 117.98 119.75 1bkz s PHE 97 Ca 0.00 -0.18 -0.08 0.00 0.12 0.00 0.00 56.93 56.78 1bkz s PHE 97 Cb 0.00 -1.91 -0.04 0.00 -0.57 0.00 0.00 43.02 40.49 1bkz s PHE 97 CO 0.00 0.08 0.09 0.15 -0.10 0.00 0.00 175.22 175.44 1bkz s LYS 98 N 0.06 4.06 -0.25 0.44 1.02 0.16 -0.61 119.74 124.62 1bkz s LYS 98 Ca 0.00 -0.30 -0.06 0.00 0.02 0.00 0.00 55.97 55.64 1bkz s LYS 98 Cb -0.13 -3.30 -0.01 0.00 -0.52 0.00 0.00 37.83 33.86 1bkz s LYS 98 CO 0.03 0.28 0.03 0.00 -0.92 0.00 0.00 175.35 174.76 1bkz s ALA 99 N 0.39 3.02 -0.19 5.17 0.00 0.16 -0.06 121.76 130.25 1bkz s ALA 99 Ca 0.05 -1.21 -0.03 0.00 0.00 0.00 0.00 51.96 50.77 1bkz s ALA 99 Cb -0.12 -1.97 -0.01 0.00 0.00 0.00 0.00 23.12 21.02 1bkz s ALA 99 CO -0.01 -0.56 -0.07 0.08 0.00 0.00 0.00 175.76 175.20 1bkz s VAL 100 N 1.54 3.27 -0.24 0.00 1.01 -0.11 0.95 120.40 126.82 1bkz s VAL 100 Ca 0.05 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.50 1bkz s VAL 100 Cb -0.15 -2.45 0.04 0.00 0.00 0.00 0.00 36.38 33.82 1bkz s VAL 100 CO 0.01 0.46 -0.12 -0.69 0.00 0.00 0.00 175.10 174.76 1bkz s VAL 101 N 1.11 2.34 -0.87 2.92 1.01 -0.68 -0.44 120.40 125.78 1bkz s VAL 101 Ca 0.01 -1.32 -0.05 0.00 0.00 0.00 0.00 61.98 60.62 1bkz s VAL 101 Cb -0.15 -2.24 -0.00 0.00 0.00 0.00 0.00 36.38 33.99 1bkz s VAL 101 CO -0.01 0.16 0.68 0.61 0.00 0.00 0.00 175.10 176.53 1bkz n GLY 102 N 4.54 -1.22 2.73 4.51 0.00 -0.43 -3.17 105.19 112.16 1bkz n GLY 102 Ca -0.16 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.38 1bkz n GLY 102 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bkz n ASP 103 N -2.33 -3.55 -3.86 1.61 9.92 -1.26 -5.00 116.55 112.08 1bkz n ASP 103 Ca -0.16 0.00 -0.16 0.00 -0.53 0.00 0.00 54.79 53.94 1bkz n ASP 103 Cb 0.60 -1.88 -0.16 0.00 -0.64 0.00 0.00 41.12 39.05 1bkz n ASP 103 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1bkz s ALA 104 N -1.70 0.33 0.14 2.24 0.00 -1.19 -5.10 121.76 116.47 1bkz s ALA 104 Ca 0.00 0.06 -0.31 0.00 0.00 0.00 0.00 51.96 51.70 1bkz s ALA 104 Cb 0.00 -0.24 -0.10 0.00 0.00 0.00 0.00 23.12 22.77 1bkz s ALA 104 CO 0.00 -0.02 1.76 -1.14 0.00 0.00 0.00 175.76 176.37 1bkz s GLN 105 N 0.65 4.15 -0.23 0.00 2.00 -1.26 -1.69 119.66 123.28 1bkz s GLN 105 Ca -0.07 2.55 -0.00 0.00 -2.00 0.00 0.00 55.36 55.84 1bkz s GLN 105 Cb -0.10 -3.45 -0.14 0.00 0.80 0.00 0.00 33.01 30.12 1bkz s GLN 105 CO -0.01 -0.79 -0.22 0.98 -0.50 0.00 0.00 175.29 174.75 1bkz n TYR 106 N 5.18 0.00 -3.55 1.67 9.36 0.27 -4.89 117.16 125.20 1bkz n TYR 106 Ca 0.17 0.00 -0.16 0.00 3.32 0.00 0.00 57.90 61.23 1bkz n TYR 106 Cb 0.38 -0.87 -0.06 0.00 -0.63 0.00 0.00 39.34 38.16 1bkz n TYR 106 CO 0.00 0.00 0.00 -1.58 0.22 0.00 0.00 176.86 175.50 1bkz s HIS 107 N -2.45 -0.60 -0.18 2.98 5.04 -1.06 -4.57 115.29 114.45 1bkz s HIS 107 Ca -0.31 1.10 -0.02 0.00 -1.54 0.00 0.00 55.06 54.29 1bkz s HIS 107 Cb 0.09 0.40 -0.01 0.00 0.04 0.00 0.00 32.58 33.10 1bkz s HIS 107 CO 0.51 -0.51 -0.09 -1.58 -2.34 0.00 0.00 174.74 170.73 1bkz s HIS 108 N -0.95 2.90 -0.27 3.88 2.46 -1.26 -0.67 115.29 121.37 1bkz s HIS 108 Ca -0.07 -0.83 -0.01 0.00 0.47 0.00 0.00 55.06 54.61 1bkz s HIS 108 Cb -0.01 -1.98 0.04 0.00 -0.13 0.00 0.00 32.58 30.50 1bkz s HIS 108 CO 0.07 -0.40 -0.04 0.12 -2.47 0.00 0.00 174.74 172.02 1bkz s PHE 109 N 0.96 3.18 0.34 3.88 2.19 0.22 -4.96 117.98 123.79 1bkz s PHE 109 Ca -0.01 -1.79 -0.28 0.00 0.33 0.00 0.00 56.93 55.18 1bkz s PHE 109 Cb -0.15 -2.07 -0.09 0.00 -1.31 0.00 0.00 43.02 39.40 1bkz s PHE 109 CO -0.00 -0.78 1.22 1.03 1.83 0.00 0.00 175.22 178.52 1bkz s ARG 110 N 1.27 4.30 0.17 10.12 0.52 -1.26 -0.01 118.95 134.06 1bkz s ARG 110 Ca -0.03 2.02 -0.33 0.00 -0.52 0.00 0.00 55.73 56.87 1bkz s ARG 110 Cb -0.18 -2.96 -0.13 0.00 0.52 0.00 0.00 34.95 32.19 1bkz s ARG 110 CO -0.03 -0.16 1.68 0.72 0.02 0.00 0.00 175.30 177.53 1bkz n HIS 111 N 0.63 2.53 -0.10 -0.53 8.25 -1.15 -4.87 115.22 119.98 1bkz n HIS 111 Ca 0.01 0.12 -0.17 0.00 -0.26 0.00 0.00 57.72 57.42 1bkz n HIS 111 Cb 0.44 -2.62 -0.09 0.00 1.12 0.00 0.00 29.99 28.84 1bkz n HIS 111 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1bkz n ARG 112 N 3.96 0.48 -3.92 -0.41 1.74 -1.26 -4.99 116.66 112.25 1bkz n ARG 112 Ca 0.17 0.14 -0.21 0.00 -0.77 0.00 0.00 57.85 57.17 1bkz n ARG 112 Cb 0.32 -1.34 -0.04 0.00 -1.02 0.00 0.00 32.46 30.38 1bkz n ARG 112 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1bkz s LEU 113 N -6.48 3.66 0.14 0.55 1.43 -1.26 -5.08 118.68 111.64 1bkz s LEU 113 Ca -0.27 -0.42 -0.30 0.00 -1.03 0.00 0.00 54.13 52.10 1bkz s LEU 113 Cb 0.08 -2.24 -0.07 0.00 0.03 0.00 0.00 46.19 43.99 1bkz s LEU 113 CO 0.43 -0.24 1.27 -2.84 0.23 0.00 0.00 176.35 175.19 1bkz s PRO 114 N -3.94 4.41 0.42 1.29 0.02 -1.26 -4.89 135.00 131.05 1bkz s PRO 114 Ca 0.38 1.93 0.21 0.00 0.02 0.00 0.00 61.00 63.54 1bkz s PRO 114 Cb -0.06 -3.26 1.16 0.00 0.02 0.00 0.00 34.50 32.35 1bkz s PRO 114 CO 0.26 -0.25 1.79 1.25 -0.33 0.00 0.00 177.00 179.72 1bkz h LEU 115 N 6.07 0.38 0.00 -5.54 6.46 -1.98 -1.11 115.31 119.60 1bkz h LEU 115 Ca -0.43 0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.39 1bkz h LEU 115 Cb 1.21 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.15 1bkz h LEU 115 CO 0.80 0.09 0.00 0.00 -0.62 0.00 0.00 178.44 178.70 1bkz n ALA 116 N -2.52 1.79 0.77 1.25 0.00 -1.26 -2.60 120.51 117.93 1bkz n ALA 116 Ca 0.24 -0.06 0.11 0.00 0.00 0.00 0.00 53.44 53.73 1bkz n ALA 116 Cb 0.89 -1.24 0.05 0.00 0.00 0.00 0.00 19.45 19.15 1bkz n ALA 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1bkz n ARG 117 N -1.34 0.16 -2.07 0.00 1.74 -0.42 -4.91 116.66 109.81 1bkz n ARG 117 Ca 0.06 -0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.71 1bkz n ARG 117 Cb 0.13 -1.55 -0.03 0.00 -1.02 0.00 0.00 32.46 30.00 1bkz n ARG 117 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1bkz s VAL 118 N -3.11 3.34 0.00 1.55 1.01 -1.07 -4.24 120.40 117.87 1bkz s VAL 118 Ca 0.06 0.78 0.00 0.00 0.00 0.00 0.00 61.98 62.82 1bkz s VAL 118 Cb 0.16 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 33.04 1bkz s VAL 118 CO 0.79 0.00 0.00 0.54 0.00 0.00 0.00 175.10 176.43 1bkz n ARG 119 N 5.37 4.60 -3.48 2.72 1.74 0.47 -4.14 116.66 123.94 1bkz n ARG 119 Ca 0.14 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 57.08 1bkz n ARG 119 Cb 0.42 -0.36 -0.04 0.00 -1.02 0.00 0.00 32.46 31.46 1bkz n ARG 119 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 1bkz s LEU 120 N -1.39 -0.59 -0.12 0.55 2.34 -1.05 -1.20 118.68 117.22 1bkz s LEU 120 Ca 0.00 0.36 -0.02 0.00 0.06 0.00 0.00 54.13 54.53 1bkz s LEU 120 Cb 0.00 2.50 -0.03 0.00 -0.56 0.00 0.00 46.19 48.10 1bkz s LEU 120 CO 0.00 -0.75 -0.04 -0.69 -1.06 0.00 0.00 176.35 173.82 1bkz s VAL 121 N -2.36 3.94 -0.07 1.48 1.01 0.07 -1.03 120.40 123.43 1bkz s VAL 121 Ca -0.05 -0.36 0.02 0.00 0.00 0.00 0.00 61.98 61.59 1bkz s VAL 121 Cb -0.00 -2.68 0.01 0.00 0.00 0.00 0.00 36.38 33.71 1bkz s VAL 121 CO -0.01 0.54 -0.12 -0.70 0.00 0.00 0.00 175.10 174.81 1bkz s GLU 122 N -0.20 1.72 -0.16 2.72 2.12 -0.02 -1.39 118.70 123.49 1bkz s GLU 122 Ca 0.04 -0.41 0.01 0.00 0.36 0.00 0.00 54.97 54.97 1bkz s GLU 122 Cb -0.13 -1.46 0.02 0.00 0.26 0.00 0.00 34.13 32.82 1bkz s GLU 122 CO 0.02 -0.01 -0.19 0.08 -0.54 0.00 0.00 175.26 174.62 1bkz s VAL 123 N 0.79 1.94 0.22 3.70 1.01 -0.85 -0.04 120.40 127.18 1bkz s VAL 123 Ca -0.12 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.00 1bkz s VAL 123 Cb -0.15 -1.75 -0.01 0.00 0.00 0.00 0.00 36.38 34.47 1bkz s VAL 123 CO 0.02 0.52 0.25 0.61 0.00 0.00 0.00 175.10 176.50 1bkz n GLY 124 N 4.47 2.87 2.30 4.51 0.00 -0.32 -0.67 105.19 118.36 1bkz n GLY 124 Ca -0.20 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.17 1bkz n GLY 124 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bkz n GLY 125 N -0.38 -1.37 3.55 -0.02 0.00 -1.26 -0.61 105.19 105.10 1bkz n GLY 125 Ca 0.02 -1.73 -0.43 0.00 0.00 0.00 0.00 46.02 43.88 1bkz n GLY 125 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1bkz s ASP 126 N -4.00 6.88 -0.08 1.61 1.01 -0.06 -4.90 116.67 117.13 1bkz s ASP 126 Ca 0.00 -2.53 -0.20 0.00 0.71 0.00 0.00 52.55 50.52 1bkz s ASP 126 Cb 0.00 -2.54 0.04 0.00 1.01 0.00 0.00 42.92 41.43 1bkz s ASP 126 CO 0.00 -1.09 0.48 0.54 0.21 0.00 0.00 175.17 175.31 1bkz s VAL 127 N 3.68 0.02 -0.49 -1.27 0.11 -1.26 -4.36 120.40 116.83 1bkz s VAL 127 Ca 0.51 -0.19 -0.11 0.00 -2.93 0.00 0.00 61.98 59.25 1bkz s VAL 127 Cb 0.02 -0.75 0.12 0.00 -1.53 0.00 0.00 36.38 34.24 1bkz s VAL 127 CO 0.06 -0.11 0.40 -1.10 -3.33 0.00 0.00 175.10 171.02 1bkz s GLN 128 N -0.82 2.65 -0.08 1.54 -0.21 -0.31 -4.97 119.66 117.47 1bkz s GLN 128 Ca -0.09 -1.74 -0.30 0.00 0.02 0.00 0.00 55.36 53.26 1bkz s GLN 128 Cb -0.03 -4.05 -0.02 0.00 1.00 0.00 0.00 33.01 29.91 1bkz s GLN 128 CO 0.05 -1.23 1.10 -1.17 -2.12 0.00 0.00 175.29 171.91 1bkz s LEU 129 N 1.44 4.27 -0.16 2.90 2.96 -1.26 -0.72 118.68 128.10 1bkz s LEU 129 Ca 0.05 1.67 -0.09 0.00 -0.22 0.00 0.00 54.13 55.53 1bkz s LEU 129 Cb -0.27 -3.56 -0.23 0.00 0.50 0.00 0.00 46.19 42.63 1bkz s LEU 129 CO 0.01 -0.51 0.25 -0.67 -1.32 0.00 0.00 176.35 174.11 1bkz n ASP 130 N 5.05 2.05 -3.60 3.68 2.03 -0.01 -4.96 116.55 120.79 1bkz n ASP 130 Ca 0.10 0.23 -0.06 0.00 0.52 0.00 0.00 54.79 55.57 1bkz n ASP 130 Cb 0.48 -0.84 -0.04 0.00 -0.72 0.00 0.00 41.12 39.99 1bkz n ASP 130 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1bkz s SER 131 N -6.97 -0.20 -0.15 1.67 1.04 -1.07 -5.01 113.70 103.00 1bkz s SER 131 Ca -0.26 0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.35 1bkz s SER 131 Cb 0.07 0.17 0.03 0.00 0.10 0.00 0.00 66.02 66.39 1bkz s SER 131 CO 0.70 -0.21 -0.12 -0.69 0.98 0.00 0.00 173.24 173.90 1bkz s VAL 132 N -1.37 1.46 -0.04 5.02 1.01 -1.26 -1.79 120.40 123.43 1bkz s VAL 132 Ca 0.05 -0.63 0.07 0.00 0.00 0.00 0.00 61.98 61.47 1bkz s VAL 132 Cb -0.01 -1.42 -0.02 0.00 0.00 0.00 0.00 36.38 34.93 1bkz s VAL 132 CO -0.04 0.38 -0.25 -0.13 0.00 0.00 0.00 175.10 175.07 1bkz s ARG 133 N 1.52 2.26 -0.17 2.72 1.81 0.02 -4.97 118.95 122.15 1bkz s ARG 133 Ca 0.04 -0.90 -0.01 0.00 -1.72 0.00 0.00 55.73 53.14 1bkz s ARG 133 Cb -0.13 -2.05 -0.01 0.00 -0.45 0.00 0.00 34.95 32.31 1bkz s ARG 133 CO -0.10 0.47 -0.12 0.42 -0.68 0.00 0.00 175.30 175.29 1bkz s ILE 134 N -0.39 2.93 -0.76 1.52 1.01 -1.26 0.24 121.20 124.48 1bkz s ILE 134 Ca 0.04 -0.67 0.06 0.00 0.00 0.00 0.00 60.65 60.07 1bkz s ILE 134 Cb -0.12 -2.26 0.05 0.00 0.01 0.00 0.00 42.46 40.14 1bkz s ILE 134 CO 0.01 0.49 0.69 0.49 0.00 0.00 0.00 174.94 176.63