#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x2p s SER 2 N 0.00 6.83 -0.37 1.61 0.15 -1.26 -4.42 113.70 116.24 1x2p s SER 2 Ca 0.00 1.00 -0.14 0.00 0.70 0.00 0.00 55.95 57.52 1x2p s SER 2 Cb 0.00 -2.38 0.02 0.00 -1.71 0.00 0.00 66.02 61.95 1x2p s SER 2 CO 0.00 -0.22 0.51 -1.20 1.20 0.00 0.00 173.24 173.54 1x2p n SER 3 N 4.53 -7.14 0.00 5.45 7.64 -1.26 -5.00 113.62 117.84 1x2p n SER 3 Ca -0.01 0.47 0.00 0.00 1.01 0.00 0.00 58.87 60.34 1x2p n SER 3 Cb 0.50 -4.80 0.00 0.00 -1.01 0.00 0.00 64.21 58.90 1x2p n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x2p n GLY 4 N -0.32 3.82 2.39 0.23 0.00 -1.26 -5.11 105.19 104.93 1x2p n GLY 4 Ca 0.10 -1.39 -0.03 0.00 0.00 0.00 0.00 46.02 44.70 1x2p n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x2p n SER 5 N 0.00 -2.63 -3.15 1.61 7.64 -1.26 -3.33 113.62 112.50 1x2p n SER 5 Ca 0.00 1.08 0.06 0.00 1.01 0.00 0.00 58.87 61.02 1x2p n SER 5 Cb 0.00 -4.37 -0.02 0.00 -1.01 0.00 0.00 64.21 58.81 1x2p n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x2p s SER 6 N -0.77 -0.28 0.00 6.43 0.15 -1.26 -4.51 113.70 113.46 1x2p s SER 6 Ca -0.16 0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.67 1x2p s SER 6 Cb 0.01 1.24 0.00 0.00 -1.71 0.00 0.00 66.02 65.56 1x2p s SER 6 CO 0.62 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.62 1x2p n GLY 7 N 5.48 -1.91 3.35 9.45 0.00 -1.26 -4.99 105.19 115.30 1x2p n GLY 7 Ca -0.08 -2.17 -0.33 0.00 0.00 0.00 0.00 46.02 43.44 1x2p n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x2p s GLU 8 N -0.57 3.36 -0.47 1.61 2.02 -1.21 -4.95 118.70 118.50 1x2p s GLU 8 Ca 0.00 -0.68 -0.24 0.00 0.02 0.00 0.00 54.97 54.07 1x2p s GLU 8 Cb 0.00 -2.70 0.03 0.00 0.10 0.00 0.00 34.13 31.56 1x2p s GLU 8 CO 0.00 0.12 0.83 -1.21 0.02 0.00 0.00 175.26 175.02 1x2p s GLU 9 N 0.60 3.41 0.28 1.61 2.02 -1.26 -1.36 118.70 124.00 1x2p s GLU 9 Ca -0.07 -0.09 0.09 0.00 0.02 0.00 0.00 54.97 54.91 1x2p s GLU 9 Cb -0.15 -3.96 -0.04 0.00 0.10 0.00 0.00 34.13 30.08 1x2p s GLU 9 CO 0.03 -1.19 0.09 -0.06 0.02 0.00 0.00 175.26 174.15 1x2p s PHE 10 N 3.45 2.81 -0.05 1.61 0.40 0.31 -4.90 117.98 121.60 1x2p s PHE 10 Ca 0.31 -0.23 0.06 0.00 -0.60 0.00 0.00 56.93 56.47 1x2p s PHE 10 Cb -0.12 -1.35 -0.01 0.00 0.51 0.00 0.00 43.02 42.04 1x2p s PHE 10 CO 0.23 0.53 -0.24 0.08 0.70 0.00 0.00 175.22 176.51 1x2p s VAL 11 N -2.30 2.14 -0.19 -0.44 1.01 -1.26 0.13 120.40 119.50 1x2p s VAL 11 Ca 0.33 -1.05 -0.29 0.00 0.00 0.00 0.00 61.98 60.98 1x2p s VAL 11 Cb -0.06 -1.77 -0.02 0.00 0.00 0.00 0.00 36.38 34.53 1x2p s VAL 11 CO 0.22 0.57 1.41 0.00 0.00 0.00 0.00 175.10 177.30 1x2p s ALA 12 N -0.28 3.51 -0.08 5.51 0.00 -1.17 -1.89 121.76 127.35 1x2p s ALA 12 Ca 0.00 0.46 0.26 0.00 0.00 0.00 0.00 51.96 52.68 1x2p s ALA 12 Cb -0.13 -3.72 1.36 0.00 0.00 0.00 0.00 23.12 20.63 1x2p s ALA 12 CO 0.02 -1.50 1.79 -0.84 0.00 0.00 0.00 175.76 175.23 1x2p h ILE 13 N 5.74 0.00 -1.60 0.00 3.07 0.18 -1.37 117.51 123.53 1x2p h ILE 13 Ca -0.30 -0.03 0.12 0.00 1.55 0.00 0.00 64.86 66.19 1x2p h ILE 13 Cb 1.12 0.63 -0.22 0.00 -0.27 0.00 0.00 36.82 38.08 1x2p h ILE 13 CO 0.99 0.00 0.60 0.00 -1.05 0.00 0.00 178.15 178.69 1x2p s ALA 14 N -3.62 -1.95 0.57 0.16 0.00 -1.24 -4.91 121.76 110.76 1x2p s ALA 14 Ca -0.02 1.54 -0.20 0.00 0.00 0.00 0.00 51.96 53.28 1x2p s ALA 14 Cb 0.08 -0.59 -0.05 0.00 0.00 0.00 0.00 23.12 22.55 1x2p s ALA 14 CO 0.26 -0.38 1.05 -3.47 0.00 0.00 0.00 175.76 173.22 1x2p n ASP 15 N 0.51 1.23 -4.30 0.00 -0.08 -1.26 -4.18 116.55 108.47 1x2p n ASP 15 Ca -0.08 0.87 -0.16 0.00 -1.51 0.00 0.00 54.79 53.91 1x2p n ASP 15 Cb 0.59 -1.42 -0.10 0.00 2.34 0.00 0.00 41.12 42.52 1x2p n ASP 15 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 1x2p s TYR 16 N -1.44 1.46 -0.22 -0.67 5.04 -0.29 -4.83 117.35 116.40 1x2p s TYR 16 Ca 0.74 -0.76 -0.03 0.00 -2.44 0.00 0.00 57.07 54.58 1x2p s TYR 16 Cb -0.43 -0.76 0.07 0.00 0.35 0.00 0.00 41.96 41.18 1x2p s TYR 16 CO 0.48 0.12 0.06 0.00 -1.34 0.00 0.00 175.55 174.87 1x2p s ALA 17 N -3.26 0.93 -0.17 3.97 0.00 -1.26 -3.85 121.76 118.12 1x2p s ALA 17 Ca 0.21 -0.80 -0.36 0.00 0.00 0.00 0.00 51.96 51.02 1x2p s ALA 17 Cb 0.03 -1.23 -0.13 0.00 0.00 0.00 0.00 23.12 21.79 1x2p s ALA 17 CO 0.04 -1.29 1.88 0.00 0.00 0.00 0.00 175.76 176.39 1x2p n ALA 18 N 5.09 0.62 0.13 0.00 0.00 -1.26 -4.82 120.51 120.26 1x2p n ALA 18 Ca -0.07 0.27 0.01 0.00 0.00 0.00 0.00 53.44 53.65 1x2p n ALA 18 Cb 0.46 -2.44 0.07 0.00 0.00 0.00 0.00 19.45 17.54 1x2p n ALA 18 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1x2p h THR 19 N 5.58 1.07 -4.72 0.00 2.02 -1.97 -3.46 112.91 111.42 1x2p h THR 19 Ca -0.46 -2.32 -0.39 0.00 0.77 0.00 0.00 66.41 64.01 1x2p h THR 19 Cb 1.29 2.40 -0.07 0.00 -1.74 0.00 0.00 68.15 70.03 1x2p h THR 19 CO 0.96 0.57 -0.27 -0.67 0.37 0.00 0.00 175.52 176.48 1x2p n ASP 20 N -3.34 2.72 -1.78 4.18 2.03 -1.26 -5.03 116.55 114.07 1x2p n ASP 20 Ca 0.01 -2.32 0.08 0.00 0.52 0.00 0.00 54.79 53.08 1x2p n ASP 20 Cb 0.72 0.18 0.39 0.00 -0.72 0.00 0.00 41.12 41.69 1x2p n ASP 20 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1x2p n GLU 21 N -0.85 4.47 0.00 -0.67 0.28 -1.26 -3.95 120.64 118.65 1x2p n GLU 21 Ca -0.11 -3.07 0.00 0.00 -0.16 0.00 0.00 57.16 53.82 1x2p n GLU 21 Cb 0.39 -2.13 0.00 0.00 1.43 0.00 0.00 31.44 31.13 1x2p n GLU 21 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1x2p n THR 22 N 0.82 0.63 -3.83 3.84 -2.24 -1.26 -5.05 114.28 107.19 1x2p n THR 22 Ca 0.27 -0.74 -0.22 0.00 -2.27 0.00 0.00 64.05 61.10 1x2p n THR 22 Cb 1.09 0.72 -0.04 0.00 -2.10 0.00 0.00 70.33 70.00 1x2p n THR 22 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1x2p s GLN 23 N -0.63 2.55 -0.17 -0.78 -0.21 -1.25 -1.44 119.66 117.73 1x2p s GLN 23 Ca 0.00 -1.47 -0.02 0.00 0.02 0.00 0.00 55.36 53.89 1x2p s GLN 23 Cb 0.00 -2.34 -0.02 0.00 1.00 0.00 0.00 33.01 31.65 1x2p s GLN 23 CO 0.00 0.00 -0.07 -0.51 -2.12 0.00 0.00 175.29 172.59 1x2p s LEU 24 N -3.99 2.95 -0.10 2.90 1.43 -0.86 -4.78 118.68 116.23 1x2p s LEU 24 Ca 0.42 -0.28 -0.10 0.00 -1.03 0.00 0.00 54.13 53.14 1x2p s LEU 24 Cb -0.04 -1.71 -0.05 0.00 0.03 0.00 0.00 46.19 44.43 1x2p s LEU 24 CO 0.26 0.11 0.23 -0.94 0.23 0.00 0.00 176.35 176.24 1x2p s SER 25 N 0.70 6.49 0.27 2.29 1.04 -1.26 -4.63 113.70 118.60 1x2p s SER 25 Ca -0.04 0.58 -0.06 0.00 0.48 0.00 0.00 55.95 56.92 1x2p s SER 25 Cb -0.15 -2.13 -0.01 0.00 0.10 0.00 0.00 66.02 63.83 1x2p s SER 25 CO 0.02 0.33 0.39 0.72 0.98 0.00 0.00 173.24 175.68 1x2p s PHE 26 N -0.72 0.83 0.01 5.02 -0.12 -1.25 -5.01 117.98 116.74 1x2p s PHE 26 Ca 0.17 -1.10 0.07 0.00 -0.05 0.00 0.00 56.93 56.02 1x2p s PHE 26 Cb -0.13 -0.10 -0.03 0.00 -0.63 0.00 0.00 43.02 42.13 1x2p s PHE 26 CO 0.06 -0.96 -0.19 -1.17 -0.05 0.00 0.00 175.22 172.90 1x2p s LEU 27 N -3.14 2.50 -0.49 -1.99 2.96 -1.26 -1.14 118.68 116.13 1x2p s LEU 27 Ca 0.30 -0.41 -0.47 0.00 -0.22 0.00 0.00 54.13 53.33 1x2p s LEU 27 Cb 0.01 -1.47 -0.20 0.00 0.50 0.00 0.00 46.19 45.03 1x2p s LEU 27 CO 0.14 0.28 1.60 -1.14 -1.32 0.00 0.00 176.35 175.91 1x2p n ARG 28 N 1.85 0.01 0.00 1.98 0.63 -1.26 0.11 116.66 119.99 1x2p n ARG 28 Ca -0.16 0.01 0.00 0.00 -0.92 0.00 0.00 57.85 56.77 1x2p n ARG 28 Cb 0.52 -1.51 0.00 0.00 0.45 0.00 0.00 32.46 31.92 1x2p n ARG 28 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1x2p n GLY 29 N 3.97 2.20 3.58 5.14 0.00 -0.52 -4.88 105.19 114.69 1x2p n GLY 29 Ca 0.31 -0.16 -0.57 0.00 0.00 0.00 0.00 46.02 45.60 1x2p n GLY 29 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1x2p n GLU 30 N 0.00 0.55 -2.38 1.61 1.02 0.30 -4.46 120.64 117.28 1x2p n GLU 30 Ca 0.00 0.20 -0.40 0.00 -0.02 0.00 0.00 57.16 56.94 1x2p n GLU 30 Cb 0.00 -1.77 -0.03 0.00 -0.02 0.00 0.00 31.44 29.62 1x2p n GLU 30 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1x2p s LYS 31 N 0.77 3.02 0.16 3.49 -0.14 -1.26 -3.04 119.74 122.75 1x2p s LYS 31 Ca 0.90 -0.04 -0.13 0.00 -1.36 0.00 0.00 55.97 55.35 1x2p s LYS 31 Cb -1.15 -4.34 -0.07 0.00 -1.68 0.00 0.00 37.83 30.59 1x2p s LYS 31 CO 0.56 -2.37 0.54 0.42 -0.76 0.00 0.00 175.35 173.74 1x2p s ILE 32 N 6.84 4.89 -0.18 2.17 -1.09 0.35 -4.83 121.20 129.34 1x2p s ILE 32 Ca 0.46 0.72 -0.05 0.00 -2.23 0.00 0.00 60.65 59.55 1x2p s ILE 32 Cb -0.09 -3.70 -0.03 0.00 -1.58 0.00 0.00 42.46 37.07 1x2p s ILE 32 CO 0.15 0.17 -0.01 -0.22 -1.23 0.00 0.00 174.94 173.79 1x2p s LEU 33 N -2.17 3.30 -0.45 2.97 1.98 -1.26 0.11 118.68 123.16 1x2p s LEU 33 Ca 0.40 -0.15 -0.12 0.00 -2.89 0.00 0.00 54.13 51.36 1x2p s LEU 33 Cb -0.14 -1.82 0.08 0.00 0.66 0.00 0.00 46.19 44.97 1x2p s LEU 33 CO 0.20 0.11 0.34 -0.63 -1.89 0.00 0.00 176.35 174.47 1x2p s ILE 34 N 0.71 4.74 -0.02 6.68 -1.09 -0.47 -2.84 121.20 128.90 1x2p s ILE 34 Ca -0.01 -1.26 -0.02 0.00 -2.23 0.00 0.00 60.65 57.13 1x2p s ILE 34 Cb -0.14 -3.88 -0.01 0.00 -1.58 0.00 0.00 42.46 36.85 1x2p s ILE 34 CO 0.02 -0.56 0.20 -0.07 -1.23 0.00 0.00 174.94 173.30 1x2p h LEU 35 N 8.59 -0.07 -9.12 2.97 -0.00 -1.18 -3.19 115.31 113.31 1x2p h LEU 35 Ca -0.26 0.00 -0.47 0.00 -0.00 0.00 0.00 57.88 57.16 1x2p h LEU 35 Cb 1.10 0.02 -0.14 0.00 -0.00 0.00 0.00 40.66 41.63 1x2p h LEU 35 CO 0.83 0.09 -0.65 -0.13 -0.00 0.00 0.00 178.44 178.58 1x2p s ARG 36 N -1.67 1.54 -0.19 1.13 0.52 -1.04 -4.94 118.95 114.31 1x2p s ARG 36 Ca -0.01 -1.80 0.14 0.00 -0.52 0.00 0.00 55.73 53.53 1x2p s ARG 36 Cb 0.00 -0.99 -0.21 0.00 0.52 0.00 0.00 34.95 34.28 1x2p s ARG 36 CO 0.03 -0.05 0.02 1.04 0.02 0.00 0.00 175.30 176.36 1x2p n GLN 37 N -0.59 1.00 0.00 3.54 6.02 -1.26 -0.55 117.38 125.54 1x2p n GLN 37 Ca -0.05 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 1x2p n GLN 37 Cb 0.64 -1.46 0.00 0.00 1.02 0.00 0.00 30.24 30.45 1x2p n GLN 37 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1x2p n THR 38 N -2.75 0.00 0.00 5.09 -1.04 -1.26 -3.48 114.28 110.84 1x2p n THR 38 Ca -0.31 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.70 1x2p n THR 38 Cb 1.06 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.57 1x2p n THR 38 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1x2p n THR 39 N 0.00 0.00 0.00 12.58 -2.24 -1.24 -5.09 114.28 118.28 1x2p n THR 39 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1x2p n THR 39 Cb 0.00 -0.58 0.00 0.00 -2.10 0.00 0.00 70.33 67.65 1x2p n THR 39 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x2p n ALA 40 N -1.22 0.00 0.07 6.98 0.00 -1.23 -4.94 120.51 120.17 1x2p n ALA 40 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1x2p n ALA 40 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 1x2p n ALA 40 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1x2p h ASP 41 N 0.00 0.19 -3.35 0.00 5.19 -1.90 -3.42 116.42 113.12 1x2p h ASP 41 Ca 0.00 -0.21 -0.66 0.00 -0.62 0.00 0.00 57.03 55.54 1x2p h ASP 41 Cb 0.00 -0.06 -0.27 0.00 0.18 0.00 0.00 39.33 39.18 1x2p h ASP 41 CO 0.00 1.17 -0.74 0.26 -3.12 0.00 0.00 179.24 176.81 1x2p s TRP 42 N -2.68 2.92 0.29 4.55 0.52 -1.26 0.77 118.94 124.05 1x2p s TRP 42 Ca -0.02 -0.85 0.09 0.00 0.02 0.00 0.00 56.10 55.34 1x2p s TRP 42 Cb 0.09 -2.02 -0.04 0.00 -1.15 0.00 0.00 33.47 30.34 1x2p s TRP 42 CO 0.85 -0.43 0.03 -1.58 0.02 0.00 0.00 176.95 175.83 1x2p s TRP 43 N 1.09 2.68 -0.28 -1.98 0.51 0.49 -3.70 118.94 117.76 1x2p s TRP 43 Ca 0.01 -0.28 -0.04 0.00 -2.12 0.00 0.00 56.10 53.66 1x2p s TRP 43 Cb -0.15 -1.33 0.02 0.00 -0.81 0.00 0.00 33.47 31.21 1x2p s TRP 43 CO -0.01 0.54 0.02 -0.46 -0.51 0.00 0.00 176.95 176.53 1x2p s TRP 44 N -2.37 3.12 0.00 -1.98 -0.11 0.29 0.15 118.94 118.04 1x2p s TRP 44 Ca 0.33 -1.29 0.00 0.00 1.22 0.00 0.00 56.10 56.36 1x2p s TRP 44 Cb -0.05 -2.16 0.00 0.00 -1.50 0.00 0.00 33.47 29.76 1x2p s TRP 44 CO 0.20 -0.66 0.00 0.41 -4.62 0.00 0.00 176.95 172.28 1x2p n GLY 45 N 4.77 3.22 3.18 5.86 0.00 -0.81 -0.61 105.19 120.79 1x2p n GLY 45 Ca -0.15 -2.17 -0.10 0.00 0.00 0.00 0.00 46.02 43.59 1x2p n GLY 45 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1x2p s GLU 46 N -1.92 0.26 0.22 1.61 2.12 -1.13 -3.45 118.70 116.41 1x2p s GLU 46 Ca 0.00 0.92 -0.00 0.00 0.36 0.00 0.00 54.97 56.25 1x2p s GLU 46 Cb 0.00 0.18 0.04 0.00 0.26 0.00 0.00 34.13 34.62 1x2p s GLU 46 CO 0.00 -0.26 0.30 0.54 -0.54 0.00 0.00 175.26 175.30 1x2p n ARG 47 N 5.29 0.40 -1.72 4.30 5.12 -0.16 -4.41 116.66 125.48 1x2p n ARG 47 Ca -0.09 -0.81 -0.39 0.00 -1.93 0.00 0.00 57.85 54.64 1x2p n ARG 47 Cb 0.50 -0.20 -0.03 0.00 -1.16 0.00 0.00 32.46 31.57 1x2p n ARG 47 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1x2p s ALA 48 N -2.89 2.07 0.00 7.54 0.00 -1.26 -1.83 121.76 125.39 1x2p s ALA 48 Ca 0.20 0.02 0.00 0.00 0.00 0.00 0.00 51.96 52.18 1x2p s ALA 48 Cb -0.01 -4.26 0.00 0.00 0.00 0.00 0.00 23.12 18.85 1x2p s ALA 48 CO 0.13 -3.86 0.00 0.41 0.00 0.00 0.00 175.76 172.44 1x2p n GLY 49 N 5.83 0.07 3.62 0.00 0.00 -1.26 -4.93 105.19 108.52 1x2p n GLY 49 Ca 0.30 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.09 1x2p n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x2p n GLY 52 N 5.35 2.41 3.93 0.00 0.00 -1.22 -4.98 105.19 110.67 1x2p n GLY 52 Ca -0.05 -1.55 -0.25 0.00 0.00 0.00 0.00 46.02 44.16 1x2p n GLY 52 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1x2p s TYR 53 N -3.50 3.50 -0.01 1.61 2.02 -0.52 -1.93 117.35 118.52 1x2p s TYR 53 Ca 0.21 0.54 -0.05 0.00 -0.37 0.00 0.00 57.07 57.40 1x2p s TYR 53 Cb -0.01 -2.12 0.00 0.00 -0.40 0.00 0.00 41.96 39.43 1x2p s TYR 53 CO 0.15 -0.11 0.11 0.96 -1.57 0.00 0.00 175.55 175.09 1x2p s ILE 54 N -2.53 0.06 0.79 2.71 -4.36 0.39 -2.02 121.20 116.23 1x2p s ILE 54 Ca 0.44 -0.50 -0.11 0.00 -0.26 0.00 0.00 60.65 60.22 1x2p s ILE 54 Cb -0.10 -0.32 0.06 0.00 1.25 0.00 0.00 42.46 43.35 1x2p s ILE 54 CO 0.40 -0.27 1.09 -2.16 0.24 0.00 0.00 174.94 174.24 1x2p s PRO 55 N -0.91 2.17 -0.84 0.37 0.04 -1.26 0.19 135.00 134.75 1x2p s PRO 55 Ca -0.10 0.67 -0.02 0.00 0.04 0.00 0.00 61.00 61.59 1x2p s PRO 55 Cb -0.06 -1.93 0.21 0.00 0.04 0.00 0.00 34.50 32.77 1x2p s PRO 55 CO 0.01 -1.57 0.72 0.00 0.04 0.00 0.00 177.00 176.20 1x2p s ALA 56 N -3.14 4.13 0.00 8.56 0.00 0.23 -4.43 121.76 127.10 1x2p s ALA 56 Ca 0.60 -3.72 0.00 0.00 0.00 0.00 0.00 51.96 48.84 1x2p s ALA 56 Cb -0.14 -2.82 0.00 0.00 0.00 0.00 0.00 23.12 20.16 1x2p s ALA 56 CO 0.54 -2.15 0.00 -1.71 0.00 0.00 0.00 175.76 172.45 1x2p n ASN 57 N 2.58 0.00 0.23 0.00 5.15 -1.26 -4.90 115.26 117.06 1x2p n ASN 57 Ca 0.19 0.00 0.09 0.00 -0.60 0.00 0.00 54.58 54.26 1x2p n ASN 57 Cb 0.37 0.00 0.53 0.00 -0.53 0.00 0.00 39.78 40.16 1x2p n ASN 57 CO 0.00 0.00 0.00 0.45 1.40 0.00 0.00 177.26 179.11 1x2p h HIS 58 N 0.00 0.00 -3.55 1.20 3.86 -1.94 -3.43 115.15 111.30 1x2p h HIS 58 Ca 0.00 0.00 -0.67 0.00 -1.16 0.00 0.00 60.37 58.54 1x2p h HIS 58 Cb 0.00 0.00 -0.16 0.00 1.06 0.00 0.00 27.41 28.31 1x2p h HIS 58 CO 0.00 0.23 -0.69 0.14 0.86 0.00 0.00 177.93 178.47 1x2p s VAL 59 N -4.02 3.75 0.00 2.45 -7.23 -1.26 0.19 120.40 114.29 1x2p s VAL 59 Ca -0.02 -0.76 0.00 0.00 -1.81 0.00 0.00 61.98 59.40 1x2p s VAL 59 Cb 0.13 -2.65 0.00 0.00 0.56 0.00 0.00 36.38 34.42 1x2p s VAL 59 CO 0.64 0.38 0.00 0.61 -0.31 0.00 0.00 175.10 176.42 1x2p n GLY 60 N 1.48 0.76 2.45 2.32 0.00 -0.79 -4.85 105.19 106.55 1x2p n GLY 60 Ca -0.15 -0.06 -0.04 0.00 0.00 0.00 0.00 46.02 45.77 1x2p n GLY 60 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1x2p n LYS 61 N 0.00 -3.85 -3.49 1.61 4.81 -1.26 -4.59 118.16 111.40 1x2p n LYS 61 Ca 0.00 2.98 -0.15 0.00 -0.87 0.00 0.00 58.31 60.27 1x2p n LYS 61 Cb 0.00 -4.56 -0.04 0.00 0.02 0.00 0.00 35.03 30.44 1x2p n LYS 61 CO 0.00 0.00 0.00 -3.38 1.17 0.00 0.00 177.40 175.19 1x2p s HIS 62 N -0.70 -0.59 0.46 5.64 -3.43 -1.26 -4.94 115.29 110.48 1x2p s HIS 62 Ca -0.22 0.79 -0.20 0.00 -0.80 0.00 0.00 55.06 54.63 1x2p s HIS 62 Cb 0.01 0.47 -0.13 0.00 -1.43 0.00 0.00 32.58 31.50 1x2p s HIS 62 CO 0.69 -0.67 0.22 0.43 -2.00 0.00 0.00 174.74 173.41 1x2p n SER 63 N 0.42 -2.27 -3.45 7.38 7.64 -1.26 -4.99 113.62 117.09 1x2p n SER 63 Ca -0.17 0.78 -0.11 0.00 1.01 0.00 0.00 58.87 60.38 1x2p n SER 63 Cb 0.60 -0.98 -0.02 0.00 -1.01 0.00 0.00 64.21 62.79 1x2p n SER 63 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x2p s GLY 64 N -1.02 -0.57 0.18 0.23 0.00 -1.26 -5.15 107.32 99.73 1x2p s GLY 64 Ca 0.61 0.69 -0.30 0.00 0.00 0.00 0.00 44.72 45.72 1x2p s GLY 64 CO 0.61 0.25 1.12 2.56 0.00 0.00 0.00 173.10 177.63 1x2p s PRO 65 N -3.46 4.57 0.07 2.90 0.04 -1.26 -5.04 135.00 132.81 1x2p s PRO 65 Ca 0.02 1.75 0.01 0.00 0.04 0.00 0.00 61.00 62.82 1x2p s PRO 65 Cb -0.01 -3.27 -0.03 0.00 0.04 0.00 0.00 34.50 31.23 1x2p s PRO 65 CO -0.11 0.04 -0.06 0.45 0.04 0.00 0.00 177.00 177.36 1x2p s SER 66 N -0.06 0.82 0.20 6.66 0.15 -1.26 -5.16 113.70 115.05 1x2p s SER 66 Ca 0.50 -0.84 0.09 0.00 0.70 0.00 0.00 55.95 56.39 1x2p s SER 66 Cb -0.30 0.11 -0.04 0.00 -1.71 0.00 0.00 66.02 64.07 1x2p s SER 66 CO 0.35 -0.42 -0.04 -0.44 1.20 0.00 0.00 173.24 173.90 1x2p s SER 67 N -2.50 4.50 0.00 5.45 0.01 -1.26 -5.36 113.70 114.54 1x2p s SER 67 Ca 0.03 -0.54 0.00 0.00 1.31 0.00 0.00 55.95 56.75 1x2p s SER 67 Cb 0.01 -0.85 0.00 0.00 0.21 0.00 0.00 66.02 65.39 1x2p s SER 67 CO -0.04 0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.29