#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oay s VAL 3 N 0.00 4.61 -0.51 0.00 1.01 -1.26 -4.91 120.40 119.35 1oay s VAL 3 Ca 0.00 1.93 -0.13 0.00 0.00 0.00 0.00 61.98 63.79 1oay s VAL 3 Cb 0.00 -4.26 0.13 0.00 0.00 0.00 0.00 36.38 32.25 1oay s VAL 3 CO 0.00 0.31 0.42 -0.69 0.00 0.00 0.00 175.10 175.15 1oay s VAL 4 N 0.09 4.71 0.34 2.92 1.01 -1.26 -2.74 120.40 125.47 1oay s VAL 4 Ca 0.45 -1.65 -0.23 0.00 0.00 0.00 0.00 61.98 60.54 1oay s VAL 4 Cb -0.22 -4.06 -0.10 0.00 0.00 0.00 0.00 36.38 32.00 1oay s VAL 4 CO 0.27 -0.82 0.90 -0.89 0.00 0.00 0.00 175.10 174.56 1oay s THR 5 N 1.47 4.33 0.00 3.92 2.01 0.29 -4.56 115.64 123.10 1oay s THR 5 Ca 0.04 1.61 0.00 0.00 0.31 0.00 0.00 61.69 63.66 1oay s THR 5 Cb -0.28 -3.86 0.00 0.00 0.01 0.00 0.00 72.50 68.37 1oay s THR 5 CO 0.01 0.01 0.00 0.00 -0.69 0.00 0.00 174.62 173.95 1oay n GLN 6 N 0.22 0.00 -0.43 4.92 6.02 -1.26 2.11 117.38 128.96 1oay n GLN 6 Ca 0.03 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 57.01 1oay n GLN 6 Cb 0.51 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.78 1oay n GLN 6 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1oay n GLU 7 N 0.00 0.37 0.06 -1.09 4.71 -1.26 -4.75 120.64 118.68 1oay n GLU 7 Ca 0.00 -0.05 0.00 0.00 -0.01 0.00 0.00 57.16 57.10 1oay n GLU 7 Cb 0.00 -0.02 0.00 0.00 -1.01 0.00 0.00 31.44 30.41 1oay n GLU 7 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 1oay n SER 8 N -3.01 -0.63 -2.70 1.62 2.88 -1.26 -4.78 113.62 105.75 1oay n SER 8 Ca 0.00 0.22 -0.06 0.00 -1.33 0.00 0.00 58.87 57.70 1oay n SER 8 Cb 0.01 0.77 0.07 0.00 -0.75 0.00 0.00 64.21 64.31 1oay n SER 8 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1oay n ALA 9 N -2.82 -2.53 -0.94 -1.46 0.00 -1.26 -4.79 120.51 106.71 1oay n ALA 9 Ca 0.00 -0.79 -0.12 0.00 0.00 0.00 0.00 53.44 52.53 1oay n ALA 9 Cb 0.00 -2.40 0.16 0.00 0.00 0.00 0.00 19.45 17.21 1oay n ALA 9 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1oay n LEU 10 N 1.29 0.00 -3.69 0.00 4.77 -1.26 -5.11 117.00 113.00 1oay n LEU 10 Ca 0.03 -0.68 -0.11 0.00 -0.03 0.00 0.00 56.01 55.22 1oay n LEU 10 Cb 0.69 -0.61 -0.09 0.00 -2.33 0.00 0.00 43.42 41.07 1oay n LEU 10 CO -0.06 -1.84 0.16 -0.89 -1.33 0.00 0.00 177.39 173.44 1oay s THR 11 N -2.11 -0.01 0.12 -5.08 2.01 -1.26 -4.74 115.64 104.57 1oay s THR 11 Ca 0.43 0.03 -0.12 0.00 0.31 0.00 0.00 61.69 62.34 1oay s THR 11 Cb -0.05 -0.72 0.02 0.00 0.01 0.00 0.00 72.50 71.76 1oay s THR 11 CO 0.34 0.01 0.31 0.28 -0.69 0.00 0.00 174.62 174.87 1oay s THR 12 N 0.90 0.10 0.41 -0.82 -1.32 -1.26 -5.09 115.64 108.56 1oay s THR 12 Ca -0.05 -0.91 0.08 0.00 -1.21 0.00 0.00 61.69 59.59 1oay s THR 12 Cb -0.06 -1.32 -0.01 0.00 -1.51 0.00 0.00 72.50 69.60 1oay s THR 12 CO -0.08 -0.45 0.44 -0.55 -2.21 0.00 0.00 174.62 171.78 1oay s SER 13 N -2.85 5.33 0.13 8.08 0.15 -1.26 -3.25 113.70 120.03 1oay s SER 13 Ca 0.05 -0.58 -0.31 0.00 0.70 0.00 0.00 55.95 55.81 1oay s SER 13 Cb 0.03 -0.67 -0.09 0.00 -1.71 0.00 0.00 66.02 63.58 1oay s SER 13 CO -0.10 -0.65 1.46 -2.84 1.20 0.00 0.00 173.24 172.31 1oay s PRO 14 N -4.20 4.28 0.00 5.44 0.02 -1.26 -2.78 135.00 136.49 1oay s PRO 14 Ca 0.50 2.18 0.00 0.00 0.02 0.00 0.00 61.00 63.70 1oay s PRO 14 Cb -0.06 -3.23 0.00 0.00 0.02 0.00 0.00 34.50 31.23 1oay s PRO 14 CO 0.30 -0.51 0.00 0.41 -0.33 0.00 0.00 177.00 176.87 1oay n GLY 15 N 3.61 3.04 3.81 0.52 0.00 -1.15 -4.97 105.19 110.04 1oay n GLY 15 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 1oay n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1oay s GLU 16 N -0.18 2.29 -0.18 1.61 0.41 -1.12 -4.17 118.70 117.37 1oay s GLU 16 Ca 0.00 0.67 -0.07 0.00 -0.41 0.00 0.00 54.97 55.15 1oay s GLU 16 Cb 0.00 -1.94 -0.04 0.00 -1.78 0.00 0.00 34.13 30.37 1oay s GLU 16 CO 0.00 -1.48 0.06 0.99 -0.49 0.00 0.00 175.26 174.34 1oay s THR 17 N -3.16 4.81 -0.02 3.63 2.01 -1.26 -3.12 115.64 118.52 1oay s THR 17 Ca 0.60 -0.03 0.06 0.00 0.31 0.00 0.00 61.69 62.63 1oay s THR 17 Cb -0.14 -3.16 -0.01 0.00 0.01 0.00 0.00 72.50 69.19 1oay s THR 17 CO 0.54 0.47 -0.21 0.54 -0.69 0.00 0.00 174.62 175.27 1oay s VAL 18 N 0.29 1.64 -0.10 3.82 0.11 -1.24 -5.03 120.40 119.89 1oay s VAL 18 Ca 0.04 -0.88 0.03 0.00 -2.93 0.00 0.00 61.98 58.24 1oay s VAL 18 Cb -0.12 -1.37 -0.01 0.00 -1.53 0.00 0.00 36.38 33.35 1oay s VAL 18 CO 0.00 0.46 -0.20 -0.89 -3.33 0.00 0.00 175.10 171.14 1oay s THR 19 N -0.39 2.40 0.32 5.04 2.01 -1.26 -2.21 115.64 121.55 1oay s THR 19 Ca 0.06 -0.91 0.07 0.00 0.31 0.00 0.00 61.69 61.22 1oay s THR 19 Cb -0.09 -1.94 -0.03 0.00 0.01 0.00 0.00 72.50 70.45 1oay s THR 19 CO -0.00 0.55 0.30 -0.76 -0.69 0.00 0.00 174.62 174.03 1oay s LEU 20 N 0.21 3.71 0.30 4.42 1.02 -1.23 -4.97 118.68 122.13 1oay s LEU 20 Ca -0.13 -0.40 0.03 0.00 0.02 0.00 0.00 54.13 53.65 1oay s LEU 20 Cb -0.16 -2.33 -0.05 0.00 0.02 0.00 0.00 46.19 43.66 1oay s LEU 20 CO 0.07 -0.31 0.09 0.42 0.02 0.00 0.00 176.35 176.64 1oay s THR 21 N -2.25 0.82 -0.33 5.49 -4.23 -1.26 -3.38 115.64 110.50 1oay s THR 21 Ca 0.40 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.96 1oay s THR 21 Cb -0.07 -2.68 0.19 0.00 1.34 0.00 0.00 72.50 71.28 1oay s THR 21 CO 0.27 0.00 0.65 0.00 -0.54 0.00 0.00 174.62 175.00 1oay s ARG 23 N 2.53 4.16 -0.08 0.00 6.06 35.07 -2.33 118.95 164.36 1oay s ARG 23 Ca 0.13 0.13 -0.30 0.00 -2.50 0.00 0.00 55.73 53.19 1oay s ARG 23 Cb -0.07 -3.39 -0.02 0.00 0.06 0.00 0.00 34.95 31.53 1oay s ARG 23 CO -0.20 0.33 1.07 0.45 -2.50 0.00 0.00 175.30 174.44 1oay s SER 24 N 0.19 7.20 0.25 -2.12 0.15 -1.26 0.10 113.70 118.21 1oay s SER 24 Ca 0.18 1.64 0.13 0.00 0.70 0.00 0.00 55.95 58.59 1oay s SER 24 Cb -0.13 -2.56 0.20 0.00 -1.71 0.00 0.00 66.02 61.82 1oay s SER 24 CO 0.05 -0.47 1.51 0.77 1.20 0.00 0.00 173.24 176.30 1oay h SER 25 N 7.16 0.00 -0.01 5.45 4.64 -1.88 -3.39 113.55 125.52 1oay h SER 25 Ca -0.33 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.98 1oay h SER 25 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1oay h SER 25 CO 0.85 0.65 -0.05 0.71 -0.87 0.00 0.00 176.83 178.12 1oay h THR 26 N 0.00 1.52 -0.90 2.95 1.35 -1.92 -3.49 112.91 112.41 1oay h THR 26 Ca -0.01 -1.60 -0.53 0.00 -0.55 0.00 0.00 66.41 63.71 1oay h THR 26 Cb 1.31 2.57 0.10 0.00 -1.73 0.00 0.00 68.15 70.40 1oay h THR 26 CO 0.08 0.42 -0.49 0.00 -0.25 0.00 0.00 175.52 175.29 1oay n ALA 28 N -2.45 -2.54 -2.36 6.62 0.00 -1.26 -5.23 120.51 113.28 1oay n ALA 28 Ca -0.09 0.31 -0.39 0.00 0.00 0.00 0.00 53.44 53.27 1oay n ALA 28 Cb 0.36 -1.28 -0.05 0.00 0.00 0.00 0.00 19.45 18.47 1oay n ALA 28 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1oay s VAL 29 N -0.90 4.75 -0.03 0.00 1.01 -1.17 -5.02 120.40 119.04 1oay s VAL 29 Ca 0.51 1.45 0.04 0.00 0.00 0.00 0.00 61.98 63.98 1oay s VAL 29 Cb -0.71 -4.03 0.06 0.00 0.00 0.00 0.00 36.38 31.70 1oay s VAL 29 CO 0.46 0.43 0.96 0.35 0.00 0.00 0.00 175.10 177.29 1oay n THR 30 N 2.50 0.42 -3.73 3.92 -2.24 -1.26 -4.64 114.28 109.24 1oay n THR 30 Ca -0.05 -0.49 -0.27 0.00 -2.27 0.00 0.00 64.05 60.97 1oay n THR 30 Cb 0.50 0.43 -0.17 0.00 -2.10 0.00 0.00 70.33 68.99 1oay n THR 30 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1oay s ASN 36 N -1.23 2.64 -0.63 3.42 0.01 0.04 -5.08 114.94 114.12 1oay s ASN 36 Ca 0.06 -0.68 -0.17 0.00 -0.71 0.00 0.00 52.86 51.36 1oay s ASN 36 Cb 0.06 -0.55 0.13 0.00 0.41 0.00 0.00 41.25 41.30 1oay s ASN 36 CO 0.01 -0.29 0.68 0.26 -1.51 0.00 0.00 177.10 176.24 1oay s TRP 37 N 1.90 3.18 0.84 2.20 0.52 -0.79 -2.59 118.94 124.19 1oay s TRP 37 Ca 0.00 -1.22 -0.13 0.00 0.02 0.00 0.00 56.10 54.78 1oay s TRP 37 Cb -0.16 -3.94 0.10 0.00 -1.15 0.00 0.00 33.47 28.32 1oay s TRP 37 CO -0.08 -1.19 1.20 0.08 0.02 0.00 0.00 176.95 176.99 1oay s VAL 38 N 2.04 2.00 -0.33 4.03 1.01 0.23 -2.41 120.40 126.97 1oay s VAL 38 Ca 0.11 -0.00 0.01 0.00 0.00 0.00 0.00 61.98 62.09 1oay s VAL 38 Cb -0.23 -3.00 0.14 0.00 0.00 0.00 0.00 36.38 33.29 1oay s VAL 38 CO 0.02 0.00 0.30 -1.58 0.00 0.00 0.00 175.10 173.84 1oay s GLN 39 N -5.63 0.47 -0.68 2.72 0.74 -0.18 -2.00 119.66 115.09 1oay s GLN 39 Ca 0.64 -0.65 -0.27 0.00 0.05 0.00 0.00 55.36 55.14 1oay s GLN 39 Cb -0.10 -0.84 0.03 0.00 1.10 0.00 0.00 33.01 33.21 1oay s GLN 39 CO 0.50 -1.12 1.21 -2.00 -0.55 0.00 0.00 175.29 173.32 1oay s GLU 40 N 1.77 3.27 0.84 1.67 2.12 0.29 -2.25 118.70 126.42 1oay s GLU 40 Ca 0.14 -0.17 -0.11 0.00 0.36 0.00 0.00 54.97 55.18 1oay s GLU 40 Cb -0.16 -4.13 0.09 0.00 0.26 0.00 0.00 34.13 30.19 1oay s GLU 40 CO -0.17 -1.96 1.09 0.15 -0.54 0.00 0.00 175.26 173.84 1oay s LYS 41 N 5.26 1.77 0.97 4.30 -0.14 -0.15 -1.28 119.74 130.47 1oay s LYS 41 Ca 0.36 0.78 -0.12 0.00 -1.36 0.00 0.00 55.97 55.62 1oay s LYS 41 Cb -0.09 -1.87 0.08 0.00 -1.68 0.00 0.00 37.83 34.27 1oay s LYS 41 CO 0.17 -1.88 0.59 -2.30 -0.76 0.00 0.00 175.35 171.18 1oay n PRO 42 N -3.63 -0.53 -2.07 -1.68 -0.02 -1.26 -2.79 135.00 123.02 1oay n PRO 42 Ca 0.07 -0.11 -0.11 0.00 -2.02 0.00 0.00 63.50 61.33 1oay n PRO 42 Cb 0.55 -1.99 -0.01 0.00 -0.02 0.00 0.00 33.50 32.03 1oay n PRO 42 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1oay n ARG 43 N -2.53 -0.88 -2.93 -0.52 0.63 -1.26 -3.40 116.66 105.77 1oay n ARG 43 Ca 0.07 0.61 -0.22 0.00 -0.92 0.00 0.00 57.85 57.40 1oay n ARG 43 Cb 0.54 -4.71 0.02 0.00 0.45 0.00 0.00 32.46 28.76 1oay n ARG 43 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 1oay n HIS 44 N -3.79 -1.74 -3.12 -0.14 8.25 -1.24 -4.99 115.22 108.45 1oay n HIS 44 Ca -0.13 0.39 -0.39 0.00 -0.26 0.00 0.00 57.72 57.32 1oay n HIS 44 Cb 0.56 -4.03 -0.06 0.00 1.12 0.00 0.00 29.99 27.58 1oay n HIS 44 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1oay s LEU 45 N -6.47 4.51 0.14 2.41 1.02 -1.12 -5.00 118.68 114.17 1oay s LEU 45 Ca 0.24 1.38 0.09 0.00 0.02 0.00 0.00 54.13 55.86 1oay s LEU 45 Cb -0.11 -3.08 -0.04 0.00 0.02 0.00 0.00 46.19 42.98 1oay s LEU 45 CO 0.30 0.17 -0.20 -0.36 0.02 0.00 0.00 176.35 176.28 1oay s PHE 46 N -0.70 1.88 -0.30 0.29 0.40 -1.26 -0.97 117.98 117.31 1oay s PHE 46 Ca 0.33 -0.43 -0.10 0.00 -0.60 0.00 0.00 56.93 56.13 1oay s PHE 46 Cb -0.20 -0.98 0.16 0.00 0.51 0.00 0.00 43.02 42.50 1oay s PHE 46 CO 0.21 0.29 0.77 0.99 0.70 0.00 0.00 175.22 178.19 1oay s THR 47 N -1.58 -0.80 0.67 0.64 2.01 -0.95 -4.96 115.64 110.67 1oay s THR 47 Ca 0.12 0.00 -0.14 0.00 0.31 0.00 0.00 61.69 61.98 1oay s THR 47 Cb -0.08 -1.00 0.01 0.00 0.01 0.00 0.00 72.50 71.44 1oay s THR 47 CO 0.06 0.00 1.09 -0.83 -0.69 0.00 0.00 174.62 174.25 1oay s GLY 48 N 2.77 2.00 0.16 4.40 0.00 -1.26 -1.02 107.32 114.37 1oay s GLY 48 Ca 0.01 0.42 0.00 0.00 0.00 0.00 0.00 44.72 45.15 1oay s GLY 48 CO -0.18 0.76 0.00 1.04 0.00 0.00 0.00 173.10 174.71 1oay n LEU 49 N -2.64 0.20 -4.44 0.66 4.77 -1.01 -4.88 117.00 109.65 1oay n LEU 49 Ca 0.10 0.26 -0.27 0.00 -0.03 0.00 0.00 56.01 56.07 1oay n LEU 49 Cb 0.52 0.10 -0.11 0.00 -2.33 0.00 0.00 43.42 41.61 1oay n LEU 49 CO 0.50 -0.70 -0.51 -0.63 -1.33 0.00 0.00 177.39 174.71 1oay s ILE 50 N -1.69 2.44 -0.24 -0.08 1.01 -1.20 -2.59 121.20 118.86 1oay s ILE 50 Ca 0.00 -2.05 -0.11 0.00 0.00 0.00 0.00 60.65 58.49 1oay s ILE 50 Cb 0.00 -2.19 0.08 0.00 0.01 0.00 0.00 42.46 40.37 1oay s ILE 50 CO 0.00 -0.15 0.55 -0.83 0.00 0.00 0.00 174.94 174.51 1oay s GLY 51 N -2.79 -0.51 0.00 6.18 0.00 -1.03 -1.88 107.32 107.28 1oay s GLY 51 Ca 0.22 1.98 0.00 0.00 0.00 0.00 0.00 44.72 46.92 1oay s GLY 51 CO 0.11 2.31 0.00 0.61 0.00 0.00 0.00 173.10 176.13 1oay n GLY 52 N 4.69 0.46 4.51 0.20 0.00 -1.26 -3.95 105.19 109.85 1oay n GLY 52 Ca -0.18 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.37 1oay n GLY 52 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1oay n THR 53 N -1.02 0.00 -1.42 2.61 -1.04 -1.26 -4.16 114.28 108.00 1oay n THR 53 Ca 0.00 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 62.02 1oay n THR 53 Cb 0.49 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 69.01 1oay n THR 53 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1oay n ASN 54 N 4.09 0.41 -4.55 8.00 6.94 -1.26 -3.93 115.26 124.96 1oay n ASN 54 Ca 0.00 -1.79 -0.42 0.00 -0.02 0.00 0.00 54.58 52.35 1oay n ASN 54 Cb 0.00 -0.14 -0.08 0.00 -2.36 0.00 0.00 39.78 37.20 1oay n ASN 54 CO 0.00 0.00 0.00 0.20 -1.03 0.00 0.00 177.26 176.43 1oay s ASN 55 N -0.88 6.31 0.64 0.53 -0.87 -1.25 -4.54 114.94 114.88 1oay s ASN 55 Ca 0.04 -0.13 -0.08 0.00 -1.57 0.00 0.00 52.86 51.12 1oay s ASN 55 Cb 0.03 -2.27 0.02 0.00 -0.02 0.00 0.00 41.25 39.01 1oay s ASN 55 CO 0.00 -0.53 0.98 -0.13 -2.57 0.00 0.00 177.10 174.86 1oay s ARG 56 N 2.43 2.80 -0.24 -0.60 0.52 -1.26 -2.46 118.95 120.14 1oay s ARG 56 Ca 0.19 0.12 0.00 0.00 -0.52 0.00 0.00 55.73 55.52 1oay s ARG 56 Cb -0.15 -2.17 -0.15 0.00 0.52 0.00 0.00 34.95 32.99 1oay s ARG 56 CO 0.14 -0.88 -0.22 0.00 0.02 0.00 0.00 175.30 174.36 1oay n ALA 57 N -2.77 1.48 -0.70 2.13 0.00 -1.07 -4.96 120.51 114.61 1oay n ALA 57 Ca 0.06 -1.01 -0.30 0.00 0.00 0.00 0.00 53.44 52.18 1oay n ALA 57 Cb 0.58 -0.03 0.19 0.00 0.00 0.00 0.00 19.45 20.19 1oay n ALA 57 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1oay s PRO 61 N -2.47 0.52 0.35 0.00 0.02 -1.26 -5.11 135.00 127.04 1oay s PRO 61 Ca -0.32 1.29 0.13 0.00 0.02 0.00 0.00 61.00 62.12 1oay s PRO 61 Cb 0.09 -1.69 0.63 0.00 0.02 0.00 0.00 34.50 33.55 1oay s PRO 61 CO 0.54 -2.89 1.77 0.00 -0.33 0.00 0.00 177.00 176.09 1oay h ALA 62 N -2.05 1.25 -0.56 -1.55 0.00 -2.03 -3.05 119.26 111.27 1oay h ALA 62 Ca -0.49 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 54.03 1oay h ALA 62 Cb 1.29 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 1oay h ALA 62 CO 0.45 0.54 0.37 0.07 0.00 0.00 0.00 179.25 180.68 1oay h ARG 63 N 0.00 0.73 -5.97 0.00 0.11 -1.94 -3.37 114.38 103.93 1oay h ARG 63 Ca -0.00 -0.04 -0.49 0.00 0.10 0.00 0.00 59.98 59.54 1oay h ARG 63 Cb 0.78 -0.16 -0.08 0.00 1.11 0.00 0.00 29.97 31.62 1oay h ARG 63 CO 0.06 0.48 1.24 -0.06 0.10 0.00 0.00 179.97 181.79 1oay s PHE 64 N -5.65 2.28 0.09 4.08 0.40 -1.16 -2.98 117.98 115.05 1oay s PHE 64 Ca -0.09 -0.33 0.07 0.00 -0.60 0.00 0.00 56.93 55.97 1oay s PHE 64 Cb 0.18 -4.47 -0.04 0.00 0.51 0.00 0.00 43.02 39.19 1oay s PHE 64 CO 0.75 -1.87 -0.10 -1.54 0.70 0.00 0.00 175.22 173.16 1oay s SER 65 N 6.03 4.39 0.19 1.36 1.04 -1.05 -4.91 113.70 120.75 1oay s SER 65 Ca 0.54 -0.37 0.10 0.00 0.48 0.00 0.00 55.95 56.71 1oay s SER 65 Cb -0.02 -0.85 -0.04 0.00 0.10 0.00 0.00 66.02 65.21 1oay s SER 65 CO -0.07 0.19 -0.18 -0.83 0.98 0.00 0.00 173.24 173.34 1oay s GLY 66 N -2.10 1.72 0.00 7.32 0.00 -1.26 -2.03 107.32 110.97 1oay s GLY 66 Ca 0.21 -1.57 0.00 0.00 0.00 0.00 0.00 44.72 43.36 1oay s GLY 66 CO 0.13 -1.59 0.00 -1.14 0.00 0.00 0.00 173.10 170.50 1oay n SER 67 N 0.17 0.00 -4.15 1.64 3.41 -1.19 -4.57 113.62 108.93 1oay n SER 67 Ca -0.12 -0.97 -0.26 0.00 -0.26 0.00 0.00 58.87 57.25 1oay n SER 67 Cb 0.56 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.35 1oay n SER 67 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1oay s LEU 68 N 0.00 1.95 -0.48 1.04 1.43 -1.26 -2.64 118.68 118.71 1oay s LEU 68 Ca 0.00 -0.36 0.03 0.00 -1.03 0.00 0.00 54.13 52.77 1oay s LEU 68 Cb 0.00 -1.00 0.14 0.00 0.03 0.00 0.00 46.19 45.36 1oay s LEU 68 CO 0.00 0.17 0.26 -0.63 0.23 0.00 0.00 176.35 176.38 1oay s ILE 69 N -0.05 1.87 0.00 -0.59 1.01 -1.09 -4.98 121.20 117.36 1oay s ILE 69 Ca -0.02 -2.92 0.00 0.00 0.00 0.00 0.00 60.65 57.71 1oay s ILE 69 Cb -0.11 -2.30 0.00 0.00 0.01 0.00 0.00 42.46 40.06 1oay s ILE 69 CO 0.02 -0.88 0.00 0.61 0.00 0.00 0.00 174.94 174.69 1oay n GLY 70 N 3.28 1.87 2.04 6.18 0.00 -1.26 -2.84 105.19 114.47 1oay n GLY 70 Ca 0.09 0.10 0.02 0.00 0.00 0.00 0.00 46.02 46.23 1oay n GLY 70 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1oay n ASN 71 N 5.41 1.17 -3.56 1.61 0.23 -1.26 -4.92 115.26 113.93 1oay n ASN 71 Ca 0.00 -2.01 -0.17 0.00 -0.53 0.00 0.00 54.58 51.87 1oay n ASN 71 Cb 0.00 -0.35 -0.13 0.00 -2.08 0.00 0.00 39.78 37.21 1oay n ASN 71 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1oay s LYS 72 N -1.53 0.15 0.43 -3.83 1.02 -1.13 -3.05 119.74 111.80 1oay s LYS 72 Ca 0.30 0.41 -0.26 0.00 0.02 0.00 0.00 55.97 56.45 1oay s LYS 72 Cb 0.36 -0.73 -0.09 0.00 -0.52 0.00 0.00 37.83 36.85 1oay s LYS 72 CO -0.11 -0.50 1.43 0.00 -0.92 0.00 0.00 175.35 175.25 1oay s ALA 73 N 2.35 3.33 0.21 5.17 0.00 -0.99 -2.68 121.76 129.15 1oay s ALA 73 Ca 0.05 1.48 0.03 0.00 0.00 0.00 0.00 51.96 53.52 1oay s ALA 73 Cb -0.14 -3.59 -0.05 0.00 0.00 0.00 0.00 23.12 19.34 1oay s ALA 73 CO -0.10 -1.13 -0.01 0.00 0.00 0.00 0.00 175.76 174.52 1oay s ALA 74 N -1.18 1.69 -0.38 0.00 0.00 -1.08 -0.73 121.76 120.08 1oay s ALA 74 Ca 0.59 -1.72 0.02 0.00 0.00 0.00 0.00 51.96 50.85 1oay s ALA 74 Cb -0.44 0.49 0.15 0.00 0.00 0.00 0.00 23.12 23.32 1oay s ALA 74 CO 0.58 -0.26 0.30 -1.17 0.00 0.00 0.00 175.76 175.21 1oay s LEU 75 N -3.27 0.75 -0.15 0.00 2.96 -1.22 -3.14 118.68 114.62 1oay s LEU 75 Ca 0.27 -2.27 -0.29 0.00 -0.22 0.00 0.00 54.13 51.62 1oay s LEU 75 Cb 0.06 -0.10 -0.01 0.00 0.50 0.00 0.00 46.19 46.63 1oay s LEU 75 CO 0.07 -0.25 1.16 -0.89 -1.32 0.00 0.00 176.35 175.13 1oay s THR 76 N 0.87 4.43 -0.75 3.68 2.01 -0.86 -3.54 115.64 121.48 1oay s THR 76 Ca 0.22 1.73 -0.08 0.00 0.31 0.00 0.00 61.69 63.87 1oay s THR 76 Cb -0.13 -4.12 0.20 0.00 0.01 0.00 0.00 72.50 68.46 1oay s THR 76 CO -0.05 -0.10 0.63 -0.63 -0.69 0.00 0.00 174.62 173.78 1oay s ILE 77 N 2.94 4.69 -0.36 1.82 1.01 -0.94 -2.52 121.20 127.84 1oay s ILE 77 Ca 0.52 -2.82 -0.29 0.00 0.00 0.00 0.00 60.65 58.06 1oay s ILE 77 Cb -0.20 -3.95 0.01 0.00 0.01 0.00 0.00 42.46 38.33 1oay s ILE 77 CO 0.15 -0.97 1.24 -0.89 0.00 0.00 0.00 174.94 174.47 1oay s THR 78 N -0.09 4.18 -0.15 2.92 2.01 -1.16 -3.59 115.64 119.77 1oay s THR 78 Ca 0.18 1.29 -0.00 0.00 0.31 0.00 0.00 61.69 63.47 1oay s THR 78 Cb -0.15 -4.31 -0.01 0.00 0.01 0.00 0.00 72.50 68.04 1oay s THR 78 CO -0.06 -0.65 0.13 0.61 -0.69 0.00 0.00 174.62 173.96 1oay n GLY 79 N 4.49 0.03 3.72 4.40 0.00 -1.21 -4.67 105.19 111.94 1oay n GLY 79 Ca 0.14 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1oay n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oay s ALA 80 N -3.03 3.50 0.73 4.61 0.00 -1.18 -4.74 121.76 121.64 1oay s ALA 80 Ca 0.04 0.99 -0.02 0.00 0.00 0.00 0.00 51.96 52.97 1oay s ALA 80 Cb -0.00 -3.49 0.13 0.00 0.00 0.00 0.00 23.12 19.75 1oay s ALA 80 CO 0.12 -0.52 1.01 -0.65 0.00 0.00 0.00 175.76 175.73 1oay s GLN 81 N 0.99 1.65 0.16 0.00 -1.52 -1.26 -2.95 119.66 116.72 1oay s GLN 81 Ca 0.61 -0.99 -0.05 0.00 -1.95 0.00 0.00 55.36 52.99 1oay s GLN 81 Cb -0.33 -2.29 0.00 0.00 -0.22 0.00 0.00 33.01 30.17 1oay s GLN 81 CO 0.30 -1.49 1.40 1.15 -0.25 0.00 0.00 175.29 176.41 1oay h THR 82 N -0.60 1.35 0.00 -0.19 2.02 -1.97 -3.20 112.91 110.32 1oay h THR 82 Ca -0.38 -2.07 -0.01 0.00 0.77 0.00 0.00 66.41 64.72 1oay h THR 82 Cb 1.27 2.05 -0.00 0.00 -1.74 0.00 0.00 68.15 69.73 1oay h THR 82 CO 0.42 0.63 -0.04 1.05 0.37 0.00 0.00 175.52 177.94 1oay h GLU 83 N 0.36 0.00 -0.18 6.66 4.11 -2.01 -3.08 114.58 120.44 1oay h GLU 83 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.40 1oay h GLU 83 Cb 1.32 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.56 1oay h GLU 83 CO 0.13 0.04 0.12 -0.44 0.07 0.00 0.00 179.01 178.94 1oay h ASP 84 N 0.00 0.20 -1.46 3.06 5.19 -1.95 -3.43 116.42 118.04 1oay h ASP 84 Ca -0.00 -0.01 -0.74 0.00 -0.62 0.00 0.00 57.03 55.66 1oay h ASP 84 Cb 0.57 -0.05 0.03 0.00 0.18 0.00 0.00 39.33 40.06 1oay h ASP 84 CO 0.01 0.15 0.65 1.21 -3.12 0.00 0.00 179.24 178.13 1oay n GLU 85 N -4.51 0.88 0.00 3.56 2.13 -1.17 -4.91 120.64 116.62 1oay n GLU 85 Ca -0.00 0.32 0.00 0.00 0.66 0.00 0.00 57.16 58.14 1oay n GLU 85 Cb 0.08 -1.95 0.00 0.00 0.27 0.00 0.00 31.44 29.84 1oay n GLU 85 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1oay n ALA 86 N 3.90 0.00 -1.84 4.31 0.00 -1.26 -4.91 120.51 120.72 1oay n ALA 86 Ca 0.24 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.35 1oay n ALA 86 Cb 0.12 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.53 1oay n ALA 86 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1oay s ILE 87 N -1.51 3.22 0.71 0.00 1.01 -0.40 -4.40 121.20 119.82 1oay s ILE 87 Ca 0.00 0.02 -0.11 0.00 0.00 0.00 0.00 60.65 60.56 1oay s ILE 87 Cb 0.00 -3.56 0.01 0.00 0.01 0.00 0.00 42.46 38.92 1oay s ILE 87 CO 0.00 -0.54 1.06 -0.31 0.00 0.00 0.00 174.94 175.15 1oay s TYR 88 N 10.90 3.05 0.13 3.97 1.51 -1.26 -0.55 117.35 135.10 1oay s TYR 88 Ca 0.80 1.44 0.05 0.00 -1.01 0.00 0.00 57.07 58.34 1oay s TYR 88 Cb -0.13 -2.90 -0.04 0.00 -0.11 0.00 0.00 41.96 38.78 1oay s TYR 88 CO 0.17 -1.30 -0.11 -0.06 -1.11 0.00 0.00 175.55 173.14 1oay s PHE 89 N -3.03 1.23 0.06 2.71 0.08 -0.85 -4.73 117.98 113.45 1oay s PHE 89 Ca 0.58 -0.68 0.03 0.00 0.12 0.00 0.00 56.93 56.98 1oay s PHE 89 Cb -0.14 -0.64 -0.03 0.00 -0.57 0.00 0.00 43.02 41.64 1oay s PHE 89 CO 0.55 0.07 -0.09 0.00 -0.10 0.00 0.00 175.22 175.65 1oay s ALA 91 N -1.72 0.72 0.00 0.00 0.00 -1.07 -0.75 121.76 118.94 1oay s ALA 91 Ca -0.05 -1.46 0.00 0.00 0.00 0.00 0.00 51.96 50.45 1oay s ALA 91 Cb -0.08 1.20 0.00 0.00 0.00 0.00 0.00 23.12 24.25 1oay s ALA 91 CO 0.00 -0.76 0.00 0.28 0.00 0.00 0.00 175.76 175.28 1oay n VAL 99 N -0.49 0.00 -3.48 0.00 0.31 -1.26 -0.78 118.33 112.63 1oay n VAL 99 Ca 0.01 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.12 1oay n VAL 99 Cb 0.62 -0.28 0.00 0.00 -0.91 0.00 0.00 33.84 33.27 1oay n VAL 99 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1oay s PHE 100 N -0.41 2.12 1.05 3.52 0.40 -1.26 -5.01 117.98 118.38 1oay s PHE 100 Ca 0.00 -0.63 -0.15 0.00 -0.60 0.00 0.00 56.93 55.54 1oay s PHE 100 Cb 0.00 -2.13 0.21 0.00 0.51 0.00 0.00 43.02 41.61 1oay s PHE 100 CO 0.00 -0.48 1.14 0.20 0.70 0.00 0.00 175.22 176.77 1oay s GLY 101 N -4.32 1.60 -0.14 4.36 0.00 0.07 -4.74 107.32 104.15 1oay s GLY 101 Ca 0.48 -0.72 0.10 0.00 0.00 0.00 0.00 44.72 44.58 1oay s GLY 101 CO 0.29 -0.01 0.02 0.61 0.00 0.00 0.00 173.10 174.01 1oay n GLY 102 N -1.67 -0.60 0.00 0.20 0.00 -1.26 -4.92 105.19 96.94 1oay n GLY 102 Ca 0.10 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1oay n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oay n GLY 103 N 2.24 0.04 0.69 -0.02 0.00 -1.26 -5.13 105.19 101.74 1oay n GLY 103 Ca -0.23 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.10 1oay n GLY 103 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1oay n THR 104 N 0.20 0.00 0.00 2.61 -1.04 -1.26 -4.90 114.28 109.89 1oay n THR 104 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1oay n THR 104 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1oay n THR 104 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1oay n LYS 105 N -1.86 0.00 -2.67 -2.82 4.81 -1.26 -4.57 118.16 109.79 1oay n LYS 105 Ca 0.00 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 57.03 1oay n LYS 105 Cb 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.01 1oay n LYS 105 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 1oay s LEU 106 N 0.00 4.50 -0.22 3.14 2.96 -1.26 -4.66 118.68 123.13 1oay s LEU 106 Ca 0.00 1.88 -0.00 0.00 -0.22 0.00 0.00 54.13 55.78 1oay s LEU 106 Cb 0.00 -3.59 0.06 0.00 0.50 0.00 0.00 46.19 43.16 1oay s LEU 106 CO 0.00 -0.11 -0.02 -0.89 -1.32 0.00 0.00 176.35 174.00 1oay s THR 107 N -0.05 1.20 -0.20 3.68 2.01 -1.26 -4.36 115.64 116.66 1oay s THR 107 Ca 0.48 -1.01 -0.18 0.00 0.31 0.00 0.00 61.69 61.29 1oay s THR 107 Cb -0.25 -1.55 -0.03 0.00 0.01 0.00 0.00 72.50 70.68 1oay s THR 107 CO 0.31 -0.14 0.49 -0.69 -0.69 0.00 0.00 174.62 173.90 1oay s VAL 108 N 1.54 5.13 -2.00 3.82 1.01 -1.26 -4.02 120.40 124.62 1oay s VAL 108 Ca -0.04 0.88 0.25 0.00 0.00 0.00 0.00 61.98 63.07 1oay s VAL 108 Cb -0.18 -3.81 0.70 0.00 0.00 0.00 0.00 36.38 33.09 1oay s VAL 108 CO -0.07 0.19 1.84 0.18 0.00 0.00 0.00 175.10 177.24