#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ker n THR 2 N 0.00 2.85 0.00 0.00 5.66 -1.26 -4.73 114.28 116.80 2ker n THR 2 Ca 0.00 -2.92 0.00 0.00 -3.05 0.00 0.00 64.05 58.08 2ker n THR 2 Cb 0.00 -2.28 0.00 0.00 -1.55 0.00 0.00 70.33 66.50 2ker n THR 2 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2ker n GLY 3 N 5.46 0.90 2.98 1.09 0.00 -1.26 -5.10 105.19 109.25 2ker n GLY 3 Ca 0.47 -2.16 -0.08 0.00 0.00 0.00 0.00 46.02 44.26 2ker n GLY 3 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ker n SER 4 N 1.34 -7.70 -4.58 1.61 7.64 -1.26 -4.96 113.62 105.72 2ker n SER 4 Ca 0.00 0.28 -0.42 0.00 1.01 0.00 0.00 58.87 59.74 2ker n SER 4 Cb 0.00 -5.07 -0.07 0.00 -1.01 0.00 0.00 64.21 58.07 2ker n SER 4 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2ker s PRO 5 N -2.78 3.73 0.00 1.43 0.04 -1.26 -4.61 135.00 131.54 2ker s PRO 5 Ca 0.18 0.10 0.00 0.00 0.04 0.00 0.00 61.00 61.31 2ker s PRO 5 Cb -0.05 -3.79 0.00 0.00 0.04 0.00 0.00 34.50 30.71 2ker s PRO 5 CO 0.77 -0.69 0.00 1.33 0.04 0.00 0.00 177.00 178.46 2ker n VAL 6 N 5.53 0.00 -3.21 -0.36 0.24 -1.25 -4.25 118.33 115.02 2ker n VAL 6 Ca -0.01 0.00 0.04 0.00 -2.04 0.00 0.00 64.34 62.33 2ker n VAL 6 Cb 0.49 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.83 2ker n VAL 6 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2ker s ALA 7 N 0.00 -3.31 -0.23 2.33 0.00 -1.26 -4.69 121.76 114.59 2ker s ALA 7 Ca 0.00 1.63 0.17 0.00 0.00 0.00 0.00 51.96 53.76 2ker s ALA 7 Cb 0.00 -2.37 0.92 0.00 0.00 0.00 0.00 23.12 21.67 2ker s ALA 7 CO 0.00 -1.24 1.49 0.39 0.00 0.00 0.00 175.76 176.40 2ker n GLU 8 N 5.14 0.11 0.08 0.00 4.71 -1.26 -0.83 120.64 128.59 2ker n GLU 8 Ca -0.08 0.60 0.12 0.00 -0.01 0.00 0.00 57.16 57.79 2ker n GLU 8 Cb 0.54 -1.94 0.20 0.00 -1.01 0.00 0.00 31.44 29.23 2ker n GLU 8 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2ker s VAL 10 N -3.17 5.14 -0.05 0.00 -7.23 -0.01 -1.00 120.40 114.08 2ker s VAL 10 Ca 0.07 0.97 -0.01 0.00 -1.81 0.00 0.00 61.98 61.20 2ker s VAL 10 Cb 0.12 -3.82 0.03 0.00 0.56 0.00 0.00 36.38 33.27 2ker s VAL 10 CO 0.70 0.36 0.01 -0.70 -0.31 0.00 0.00 175.10 175.17 2ker s GLU 11 N 0.38 0.34 0.33 4.82 2.12 0.33 -4.91 118.70 122.11 2ker s GLU 11 Ca 0.26 0.16 -0.00 0.00 0.36 0.00 0.00 54.97 55.75 2ker s GLU 11 Cb -0.16 -0.69 -0.04 0.00 0.26 0.00 0.00 34.13 33.51 2ker s GLU 11 CO 0.11 -0.25 0.53 1.52 -0.54 0.00 0.00 175.26 176.64 2ker s TYR 12 N 1.67 3.50 0.14 5.30 -0.85 -1.24 0.20 117.35 126.06 2ker s TYR 12 Ca -0.00 0.37 -0.01 0.00 -0.52 0.00 0.00 57.07 56.91 2ker s TYR 12 Cb -0.13 -1.91 -0.04 0.00 0.38 0.00 0.00 41.96 40.27 2ker s TYR 12 CO -0.03 0.15 0.05 0.12 -1.52 0.00 0.00 175.55 174.32 2ker s PHE 13 N -2.26 0.90 -0.30 -3.49 5.36 0.41 -4.91 117.98 113.68 2ker s PHE 13 Ca 0.40 -1.22 0.00 0.00 -0.96 0.00 0.00 56.93 55.15 2ker s PHE 13 Cb -0.10 -0.50 0.06 0.00 -0.34 0.00 0.00 43.02 42.14 2ker s PHE 13 CO 0.35 -0.49 -0.00 -0.65 -1.46 0.00 0.00 175.22 172.96 2ker s GLN 14 N -4.04 2.23 0.25 10.12 1.11 -1.26 -1.06 119.66 127.01 2ker s GLN 14 Ca 0.24 -1.41 0.02 0.00 0.01 0.00 0.00 55.36 54.22 2ker s GLN 14 Cb 0.07 -3.14 0.04 0.00 -1.01 0.00 0.00 33.01 28.97 2ker s GLN 14 CO 0.02 -0.69 0.34 0.43 0.01 0.00 0.00 175.29 175.40 2ker n SER 15 N 4.52 0.69 -4.55 5.90 7.64 0.26 -4.96 113.62 123.13 2ker n SER 15 Ca -0.10 -1.53 -0.33 0.00 1.01 0.00 0.00 58.87 57.92 2ker n SER 15 Cb 0.43 -0.20 -0.04 0.00 -1.01 0.00 0.00 64.21 63.39 2ker n SER 15 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 2ker s TRP 16 N -0.65 1.21 -1.42 1.43 0.52 -1.26 -2.48 118.94 116.29 2ker s TRP 16 Ca 0.24 1.46 -0.10 0.00 0.02 0.00 0.00 56.10 57.72 2ker s TRP 16 Cb -0.02 -3.66 0.04 0.00 -1.15 0.00 0.00 33.47 28.67 2ker s TRP 16 CO 0.16 -2.31 1.11 0.54 0.02 0.00 0.00 176.95 176.48 2ker n ARG 17 N 9.01 -7.11 -3.37 4.98 1.74 -1.26 -4.96 116.66 115.68 2ker n ARG 17 Ca 0.36 0.75 -0.16 0.00 -0.77 0.00 0.00 57.85 58.02 2ker n ARG 17 Cb 0.52 -5.75 -0.08 0.00 -1.02 0.00 0.00 32.46 26.13 2ker n ARG 17 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 2ker s TYR 18 N -3.32 -0.46 -0.77 -1.55 6.14 -1.04 -3.66 117.35 112.70 2ker s TYR 18 Ca 0.60 -0.39 -0.22 0.00 0.64 0.00 0.00 57.07 57.70 2ker s TYR 18 Cb -0.28 -0.41 0.08 0.00 0.42 0.00 0.00 41.96 41.77 2ker s TYR 18 CO 0.77 -0.95 1.09 0.99 0.64 0.00 0.00 175.55 178.09 2ker s THR 19 N 2.00 4.31 -0.46 4.34 2.01 0.67 -0.57 115.64 127.93 2ker s THR 19 Ca 0.12 -0.61 -0.25 0.00 0.31 0.00 0.00 61.69 61.27 2ker s THR 19 Cb -0.14 -4.77 0.03 0.00 0.01 0.00 0.00 72.50 67.62 2ker s THR 19 CO -0.21 -1.57 0.89 1.51 -0.69 0.00 0.00 174.62 174.56 2ker s ASP 20 N 3.81 6.47 -0.45 3.53 -4.77 -0.22 -2.46 116.67 122.57 2ker s ASP 20 Ca 0.29 0.03 -0.16 0.00 -3.30 0.00 0.00 52.55 49.41 2ker s ASP 20 Cb -0.11 -2.43 0.05 0.00 -1.09 0.00 0.00 42.92 39.34 2ker s ASP 20 CO 0.04 -1.03 0.37 0.54 0.70 0.00 0.00 175.17 175.79 2ker s VAL 21 N 3.65 5.23 -0.34 2.11 0.11 -1.17 -0.45 120.40 129.53 2ker s VAL 21 Ca 0.35 -0.86 -0.15 0.00 -2.93 0.00 0.00 61.98 58.39 2ker s VAL 21 Cb -0.11 -4.06 -0.01 0.00 -1.53 0.00 0.00 36.38 30.67 2ker s VAL 21 CO 0.25 -0.48 0.34 -1.38 -3.33 0.00 0.00 175.10 170.50 2ker s HIS 22 N 1.71 3.21 0.60 1.54 -3.43 0.13 -2.10 115.29 116.96 2ker s HIS 22 Ca 0.05 -0.07 -0.10 0.00 -0.80 0.00 0.00 55.06 54.15 2ker s HIS 22 Cb -0.22 -2.65 -0.03 0.00 -1.43 0.00 0.00 32.58 28.26 2ker s HIS 22 CO 0.08 -0.43 0.98 1.21 -2.00 0.00 0.00 174.74 174.59 2ker s ASN 23 N 1.73 6.11 -0.30 7.38 3.84 -0.44 -0.51 114.94 132.74 2ker s ASN 23 Ca 0.11 1.25 0.14 0.00 0.21 0.00 0.00 52.86 54.57 2ker s ASN 23 Cb -0.17 -2.32 0.41 0.00 -0.55 0.00 0.00 41.25 38.62 2ker s ASN 23 CO 0.11 -0.88 1.44 0.61 -2.79 0.00 0.00 177.10 175.59 2ker n GLY 24 N -2.68 1.92 0.06 1.21 0.00 -0.17 -2.75 105.19 102.78 2ker n GLY 24 Ca 0.05 -0.34 0.11 0.00 0.00 0.00 0.00 46.02 45.84 2ker n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ker n ALA 26 N -1.92 0.00 -2.54 0.00 0.00 -1.26 -5.00 120.51 109.78 2ker n ALA 26 Ca 0.02 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.24 2ker n ALA 26 Cb 0.47 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.80 2ker n ALA 26 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2ker s ASP 27 N -3.39 2.37 0.03 0.00 -4.77 -1.26 -4.72 116.67 104.93 2ker s ASP 27 Ca 0.00 -0.73 -0.30 0.00 -3.30 0.00 0.00 52.55 48.22 2ker s ASP 27 Cb 0.00 -0.12 -0.06 0.00 -1.09 0.00 0.00 42.92 41.65 2ker s ASP 27 CO 0.00 -0.01 1.42 0.00 0.70 0.00 0.00 175.17 177.28 2ker s ALA 28 N -1.50 3.59 -0.00 2.11 0.00 -1.26 -4.11 121.76 120.58 2ker s ALA 28 Ca 0.07 0.96 0.04 0.00 0.00 0.00 0.00 51.96 53.03 2ker s ALA 28 Cb -0.08 -3.59 -0.01 0.00 0.00 0.00 0.00 23.12 19.43 2ker s ALA 28 CO 0.04 -0.87 -0.14 0.14 0.00 0.00 0.00 175.76 174.93 2ker s VAL 29 N 2.18 1.07 -0.30 0.00 -7.23 -1.05 -4.89 120.40 110.18 2ker s VAL 29 Ca 0.65 -0.62 -0.19 0.00 -1.81 0.00 0.00 61.98 60.01 2ker s VAL 29 Cb -0.33 -0.90 -0.01 0.00 0.56 0.00 0.00 36.38 35.69 2ker s VAL 29 CO 0.28 0.27 0.55 -0.44 -0.31 0.00 0.00 175.10 175.45 2ker s SER 30 N -0.41 6.41 0.36 4.85 0.01 -1.26 0.78 113.70 124.45 2ker s SER 30 Ca 0.05 0.32 0.08 0.00 1.31 0.00 0.00 55.95 57.71 2ker s SER 30 Cb -0.05 -2.29 -0.05 0.00 0.21 0.00 0.00 66.02 63.84 2ker s SER 30 CO -0.00 -0.41 0.13 0.68 0.41 0.00 0.00 173.24 174.04 2ker s VAL 31 N 2.44 2.75 0.08 3.43 -7.23 0.15 0.13 120.40 122.15 2ker s VAL 31 Ca 0.22 -1.75 -0.13 0.00 -1.81 0.00 0.00 61.98 58.51 2ker s VAL 31 Cb -0.15 -2.94 0.02 0.00 0.56 0.00 0.00 36.38 33.86 2ker s VAL 31 CO 0.11 -0.14 0.30 0.28 -0.31 0.00 0.00 175.10 175.34 2ker s THR 32 N -2.49 0.10 0.00 5.32 -1.32 0.18 0.77 115.64 118.20 2ker s THR 32 Ca 0.38 -0.80 0.03 0.00 -1.21 0.00 0.00 61.69 60.09 2ker s THR 32 Cb -0.00 -1.13 -0.01 0.00 -1.51 0.00 0.00 72.50 69.85 2ker s THR 32 CO 0.22 -0.44 -0.09 0.68 -2.21 0.00 0.00 174.62 172.78 2ker s VAL 33 N -3.32 0.72 -0.25 5.08 -7.23 -1.26 0.55 120.40 114.69 2ker s VAL 33 Ca 0.00 -0.51 -0.06 0.00 -1.81 0.00 0.00 61.98 59.60 2ker s VAL 33 Cb 0.02 -0.63 -0.02 0.00 0.56 0.00 0.00 36.38 36.31 2ker s VAL 33 CO -0.08 0.11 0.05 -0.70 -0.31 0.00 0.00 175.10 174.17 2ker s GLU 34 N -0.45 3.49 0.46 4.82 2.56 0.87 -4.14 118.70 126.31 2ker s GLU 34 Ca 0.02 -0.58 -0.00 0.00 0.00 0.00 0.00 54.97 54.41 2ker s GLU 34 Cb -0.04 -3.26 -0.00 0.00 2.00 0.00 0.00 34.13 32.82 2ker s GLU 34 CO -0.00 -0.24 0.70 0.71 -0.56 0.00 0.00 175.26 175.87 2ker s TYR 35 N 1.56 3.24 0.61 5.30 1.51 -1.26 0.17 117.35 128.48 2ker s TYR 35 Ca 0.06 0.29 0.27 0.00 -1.01 0.00 0.00 57.07 56.67 2ker s TYR 35 Cb -0.15 -2.35 1.34 0.00 -0.11 0.00 0.00 41.96 40.69 2ker s TYR 35 CO 0.02 -0.40 1.76 1.15 -1.11 0.00 0.00 175.55 176.97 2ker h THR 36 N 0.34 0.20 0.00 -0.71 2.02 -0.42 -3.35 112.91 110.99 2ker h THR 36 Ca -0.46 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.72 2ker h THR 36 Cb 1.25 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 68.16 2ker h THR 36 CO 0.58 0.00 0.00 1.41 0.37 0.00 0.00 175.52 177.88 2ker n HIS 37 N -3.37 0.00 0.00 3.16 8.25 -1.26 -4.92 115.22 117.07 2ker n HIS 37 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 2ker n HIS 37 Cb 0.75 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.86 2ker n HIS 37 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2ker n GLY 38 N 3.80 -0.20 3.77 -1.41 0.00 -1.26 -5.13 105.19 104.76 2ker n GLY 38 Ca 0.00 0.05 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 2ker n GLY 38 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2ker s GLN 39 N 0.00 3.85 -0.19 1.61 -0.44 -1.26 -4.89 119.66 118.34 2ker s GLN 39 Ca 0.00 2.42 -0.29 0.00 -2.50 0.00 0.00 55.36 54.99 2ker s GLN 39 Cb 0.00 -2.76 -0.03 0.00 -1.64 0.00 0.00 33.01 28.58 2ker s GLN 39 CO 0.00 -0.68 1.57 -0.46 0.50 0.00 0.00 175.29 176.21 2ker s TRP 40 N -1.19 2.19 0.00 1.67 -0.11 -1.26 -4.34 118.94 115.91 2ker s TRP 40 Ca 0.58 0.55 0.00 0.00 1.22 0.00 0.00 56.10 58.45 2ker s TRP 40 Cb -0.44 -3.92 0.00 0.00 -1.50 0.00 0.00 33.47 27.61 2ker s TRP 40 CO 0.57 -2.89 0.00 0.00 -4.62 0.00 0.00 176.95 170.01 2ker n ALA 41 N 8.01 0.00 -0.99 5.86 0.00 -1.26 -5.06 120.51 127.07 2ker n ALA 41 Ca 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.61 2ker n ALA 41 Cb 0.45 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.90 2ker n ALA 41 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2ker n PRO 42 N -1.34 0.00 0.00 0.00 -0.04 -1.26 -4.49 135.00 127.87 2ker n PRO 42 Ca 0.00 -0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 2ker n PRO 42 Cb 0.00 -1.04 0.00 0.00 -0.04 0.00 0.00 33.50 32.42 2ker n PRO 42 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ker s ARG 44 N 0.00 0.40 0.08 0.00 1.81 0.23 -4.39 118.95 117.09 2ker s ARG 44 Ca 0.00 0.95 -0.29 0.00 -1.72 0.00 0.00 55.73 54.67 2ker s ARG 44 Cb 0.00 0.16 -0.05 0.00 -0.45 0.00 0.00 34.95 34.61 2ker s ARG 44 CO 0.00 -0.19 0.91 0.54 -0.68 0.00 0.00 175.30 175.88 2ker s VAL 45 N 1.94 4.59 0.05 3.52 0.11 -1.26 0.34 120.40 129.69 2ker s VAL 45 Ca -0.06 1.95 -0.08 0.00 -2.93 0.00 0.00 61.98 60.86 2ker s VAL 45 Cb -0.10 -4.27 -0.05 0.00 -1.53 0.00 0.00 36.38 30.43 2ker s VAL 45 CO -0.14 0.32 0.33 -0.51 -3.33 0.00 0.00 175.10 171.77 2ker s ILE 46 N 0.06 5.20 0.20 7.04 1.10 0.23 -4.91 121.20 130.12 2ker s ILE 46 Ca 0.45 0.29 -0.21 0.00 -0.51 0.00 0.00 60.65 60.67 2ker s ILE 46 Cb -0.22 -3.61 -0.08 0.00 0.15 0.00 0.00 42.46 38.70 2ker s ILE 46 CO 0.28 0.32 0.73 -1.61 -2.11 0.00 0.00 174.94 172.55 2ker s GLU 47 N -1.87 4.35 -0.98 3.50 2.02 -1.26 -2.52 118.70 121.94 2ker s GLU 47 Ca 0.31 0.96 -0.18 0.00 0.02 0.00 0.00 54.97 56.08 2ker s GLU 47 Cb -0.14 -3.02 -0.29 0.00 0.10 0.00 0.00 34.13 30.79 2ker s GLU 47 CO 0.17 0.46 2.36 -2.30 0.02 0.00 0.00 175.26 175.98 2ker n PRO 48 N 1.06 0.04 -0.20 0.39 -0.02 -1.26 0.10 135.00 135.11 2ker n PRO 48 Ca -0.04 -0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.41 2ker n PRO 48 Cb 0.50 -1.32 0.00 0.00 -0.02 0.00 0.00 33.50 32.66 2ker n PRO 48 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ker n GLY 49 N 5.91 0.90 2.61 -1.23 0.00 -1.11 -4.84 105.19 107.43 2ker n GLY 49 Ca 0.66 -0.02 -0.14 0.00 0.00 0.00 0.00 46.02 46.52 2ker n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ker n GLY 50 N -2.20 1.39 3.66 -0.02 0.00 0.28 -4.61 105.19 103.69 2ker n GLY 50 Ca 0.00 -2.11 -0.25 0.00 0.00 0.00 0.00 46.02 43.66 2ker n GLY 50 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2ker s TRP 51 N -1.67 2.56 -0.16 1.61 0.52 -1.25 -1.33 118.94 119.23 2ker s TRP 51 Ca 0.42 -0.51 -0.04 0.00 0.02 0.00 0.00 56.10 55.99 2ker s TRP 51 Cb -0.03 -1.65 0.06 0.00 -1.15 0.00 0.00 33.47 30.71 2ker s TRP 51 CO 0.27 0.40 0.13 0.00 0.02 0.00 0.00 176.95 177.77 2ker s ALA 52 N -2.57 0.18 0.00 0.98 0.00 -0.89 -4.78 121.76 114.68 2ker s ALA 52 Ca 0.36 -0.04 -0.30 0.00 0.00 0.00 0.00 51.96 51.99 2ker s ALA 52 Cb 0.02 -1.05 -0.03 0.00 0.00 0.00 0.00 23.12 22.07 2ker s ALA 52 CO 0.20 -1.06 1.00 0.99 0.00 0.00 0.00 175.76 176.89 2ker s THR 53 N 2.20 4.78 0.00 0.00 2.01 -1.26 -3.06 115.64 120.32 2ker s THR 53 Ca 0.04 2.00 -0.00 0.00 0.31 0.00 0.00 61.69 64.03 2ker s THR 53 Cb -0.15 -4.28 -0.00 0.00 0.01 0.00 0.00 72.50 68.07 2ker s THR 53 CO -0.09 0.15 -0.00 -0.36 -0.69 0.00 0.00 174.62 173.63 2ker s PHE 54 N 1.05 0.06 -0.49 4.92 0.08 -1.03 -4.95 117.98 117.63 2ker s PHE 54 Ca 0.53 -0.13 -0.30 0.00 0.12 0.00 0.00 56.93 57.15 2ker s PHE 54 Cb -0.22 -0.05 -0.10 0.00 -0.57 0.00 0.00 43.02 42.08 2ker s PHE 54 CO 0.28 -0.05 2.37 0.00 -0.10 0.00 0.00 175.22 177.71 2ker n ALA 55 N 2.67 0.96 -0.84 5.36 0.00 -1.26 -0.24 120.51 127.16 2ker n ALA 55 Ca -0.15 -0.47 -0.18 0.00 0.00 0.00 0.00 53.44 52.64 2ker n ALA 55 Cb 0.59 -2.83 0.24 0.00 0.00 0.00 0.00 19.45 17.45 2ker n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ker n GLY 56 N 6.21 -3.09 3.57 0.00 0.00 -1.24 -4.19 105.19 106.44 2ker n GLY 56 Ca 0.42 -1.43 -0.36 0.00 0.00 0.00 0.00 46.02 44.64 2ker n GLY 56 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2ker s TYR 57 N -2.60 2.31 0.13 1.61 1.13 -1.20 -3.62 117.35 115.11 2ker s TYR 57 Ca 0.64 -0.44 0.00 0.00 -1.41 0.00 0.00 57.07 55.87 2ker s TYR 57 Cb -0.08 -4.46 0.00 0.00 -1.10 0.00 0.00 41.96 36.32 2ker s TYR 57 CO 0.51 -1.79 0.00 0.41 -2.51 0.00 0.00 175.55 172.17 2ker n GLY 58 N 6.52 -0.99 3.60 5.49 0.00 -1.22 -4.77 105.19 113.83 2ker n GLY 58 Ca 0.39 0.25 -0.43 0.00 0.00 0.00 0.00 46.02 46.23 2ker n GLY 58 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ker s THR 59 N -2.00 3.16 -1.18 2.61 2.01 -1.24 -1.83 115.64 117.18 2ker s THR 59 Ca 0.00 0.17 0.00 0.00 0.31 0.00 0.00 61.69 62.17 2ker s THR 59 Cb 0.00 -3.21 0.00 0.00 0.01 0.00 0.00 72.50 69.30 2ker s THR 59 CO 0.00 -0.13 0.00 0.47 -0.69 0.00 0.00 174.62 174.27 2ker n ASP 60 N 10.98 -5.59 -0.91 3.53 9.92 -1.26 -1.60 116.55 131.61 2ker n ASP 60 Ca 0.27 0.27 -0.10 0.00 -0.53 0.00 0.00 54.79 54.71 2ker n ASP 60 Cb 0.45 -4.15 -0.03 0.00 -0.64 0.00 0.00 41.12 36.75 2ker n ASP 60 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2ker n GLY 61 N 0.24 0.68 3.73 0.44 0.00 -0.76 -4.99 105.19 104.52 2ker n GLY 61 Ca -0.11 -0.53 -0.39 0.00 0.00 0.00 0.00 46.02 44.98 2ker n GLY 61 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2ker s ASN 62 N -2.76 6.96 -0.16 1.61 0.02 -0.63 -4.70 114.94 115.29 2ker s ASN 62 Ca 0.00 1.15 0.00 0.00 -1.02 0.00 0.00 52.86 52.99 2ker s ASN 62 Cb 0.00 -2.39 0.03 0.00 0.02 0.00 0.00 41.25 38.91 2ker s ASN 62 CO 0.00 -0.05 -0.12 -0.47 0.02 0.00 0.00 177.10 176.47 2ker s TYR 63 N 0.55 2.15 0.20 2.20 5.04 -1.26 -3.23 117.35 122.99 2ker s TYR 63 Ca 0.35 -1.27 -0.32 0.00 -2.44 0.00 0.00 57.07 53.39 2ker s TYR 63 Cb -0.18 -1.56 -0.12 0.00 0.35 0.00 0.00 41.96 40.45 2ker s TYR 63 CO 0.17 -0.67 1.71 1.33 -1.34 0.00 0.00 175.55 176.75 2ker n VAL 64 N 4.77 0.02 0.00 3.14 0.24 -1.26 0.35 118.33 125.59 2ker n VAL 64 Ca -0.16 -0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.14 2ker n VAL 64 Cb 0.49 -1.93 0.00 0.00 -1.47 0.00 0.00 33.84 30.93 2ker n VAL 64 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2ker n THR 65 N 3.94 0.00 -3.72 3.34 -2.24 0.13 -4.88 114.28 110.85 2ker n THR 65 Ca 0.16 -0.30 -0.14 0.00 -2.27 0.00 0.00 64.05 61.51 2ker n THR 65 Cb 0.34 0.94 -0.09 0.00 -2.10 0.00 0.00 70.33 69.42 2ker n THR 65 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2ker s GLY 66 N -0.71 -0.25 -0.07 3.38 0.00 -1.05 -4.97 107.32 103.65 2ker s GLY 66 Ca 0.00 0.69 0.04 0.00 0.00 0.00 0.00 44.72 45.45 2ker s GLY 66 CO 0.00 0.47 -0.19 1.08 0.00 0.00 0.00 173.10 174.46 2ker s LEU 67 N -0.86 2.41 0.13 0.66 1.43 -1.26 -0.09 118.68 121.10 2ker s LEU 67 Ca -0.09 -0.38 0.05 0.00 -1.03 0.00 0.00 54.13 52.68 2ker s LEU 67 Cb -0.04 -1.48 -0.04 0.00 0.03 0.00 0.00 46.19 44.66 2ker s LEU 67 CO 0.04 0.26 -0.11 -1.00 0.23 0.00 0.00 176.35 175.77 2ker s HIS 68 N -0.23 1.24 0.01 0.29 3.76 0.19 -3.93 115.29 116.62 2ker s HIS 68 Ca -0.00 -0.69 -0.30 0.00 -0.15 0.00 0.00 55.06 53.91 2ker s HIS 68 Cb -0.13 -0.64 -0.03 0.00 1.11 0.00 0.00 32.58 32.88 2ker s HIS 68 CO 0.03 0.07 0.97 0.99 -0.85 0.00 0.00 174.74 175.95 2ker s THR 69 N -2.88 4.82 0.28 1.30 2.01 -1.26 0.48 115.64 120.39 2ker s THR 69 Ca 0.12 2.04 0.02 0.00 0.31 0.00 0.00 61.69 64.18 2ker s THR 69 Cb -0.00 -4.31 -0.03 0.00 0.01 0.00 0.00 72.50 68.16 2ker s THR 69 CO 0.01 0.18 0.45 0.00 -0.69 0.00 0.00 174.62 174.57 2ker s ASP 71 N -3.80 3.86 0.00 0.00 -4.77 -1.26 -4.42 116.67 106.27 2ker s ASP 71 Ca 0.38 -0.33 0.00 0.00 -3.30 0.00 0.00 52.55 49.30 2ker s ASP 71 Cb -0.10 -0.70 0.00 0.00 -1.09 0.00 0.00 42.92 41.03 2ker s ASP 71 CO 0.32 0.30 0.08 -2.65 0.70 0.00 0.00 175.17 173.92 2ker n PRO 72 N 1.92 0.00 -2.93 2.11 -0.01 -1.26 -4.70 135.00 130.13 2ker n PRO 72 Ca -0.16 0.00 0.01 0.00 -0.01 0.00 0.00 63.50 63.33 2ker n PRO 72 Cb 0.52 -0.09 0.00 0.00 -0.01 0.00 0.00 33.50 33.92 2ker n PRO 72 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 2ker s ALA 73 N 0.05 -3.53 -0.09 3.55 0.00 -1.26 -5.15 121.76 115.33 2ker s ALA 73 Ca 0.00 0.74 -0.15 0.00 0.00 0.00 0.00 51.96 52.55 2ker s ALA 73 Cb 0.00 -2.89 -0.05 0.00 0.00 0.00 0.00 23.12 20.18 2ker s ALA 73 CO 0.00 -2.38 0.39 -0.08 0.00 0.00 0.00 175.76 173.69 2ker s THR 74 N 1.80 5.18 -0.03 0.00 -1.32 -1.26 -4.84 115.64 115.16 2ker s THR 74 Ca 0.16 0.78 -0.29 0.00 -1.21 0.00 0.00 61.69 61.13 2ker s THR 74 Cb 0.01 -3.72 -0.08 0.00 -1.51 0.00 0.00 72.50 67.21 2ker s THR 74 CO -0.11 0.44 2.01 -2.16 -2.21 0.00 0.00 174.62 172.58 2ker s PRO 75 N -0.06 3.89 0.42 7.08 0.04 -1.26 -4.72 135.00 140.39 2ker s PRO 75 Ca 0.22 2.43 0.00 0.00 0.04 0.00 0.00 61.00 63.69 2ker s PRO 75 Cb -0.15 -4.20 0.00 0.00 0.04 0.00 0.00 34.50 30.19 2ker s PRO 75 CO 0.09 -1.23 0.00 0.45 0.04 0.00 0.00 177.00 176.35 2ker n SER 76 N 8.54 -5.57 -4.55 6.66 2.88 -1.26 -4.66 113.62 115.66 2ker n SER 76 Ca 0.22 1.15 -0.41 0.00 -1.33 0.00 0.00 58.87 58.50 2ker n SER 76 Cb 0.42 -3.27 -0.03 0.00 -0.75 0.00 0.00 64.21 60.58 2ker n SER 76 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2ker s GLY 77 N -5.40 0.99 0.00 0.46 0.00 -1.26 -5.21 107.32 96.90 2ker s GLY 77 Ca 0.00 -1.60 0.00 0.00 0.00 0.00 0.00 44.72 43.12 2ker s GLY 77 CO 0.00 2.63 0.46 -0.62 0.00 0.00 0.00 173.10 175.57