#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 0.00 0.22 0.00 5.66 -1.26 -4.95 114.28 113.96 2ker n THR 2 Ca 0.00 0.00 0.11 0.00 -3.05 0.00 0.00 64.05 61.11 2ker n THR 2 Cb 0.00 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 68.66 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 -1.40 -1.09 2.68 1.09 0.00 -1.26 -4.77 105.19 100.44 2ker n GLY 3 Ca 0.00 -0.48 -0.21 0.00 0.00 0.00 0.00 46.02 45.33 2ker n GLY 3 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ker s SER 4 N -4.33 2.04 -0.04 1.61 0.15 -1.26 -4.98 113.70 106.89 2ker s SER 4 Ca -0.03 -1.28 -0.02 0.00 0.70 0.00 0.00 55.95 55.32 2ker s SER 4 Cb 0.14 0.25 -0.01 0.00 -1.71 0.00 0.00 66.02 64.69 2ker s SER 4 CO 0.87 -0.35 -0.04 1.55 1.20 0.00 0.00 173.24 176.48 2ker h PRO 5 N 7.78 0.00 -2.57 5.44 0.13 -1.86 -3.46 132.00 137.45 2ker h PRO 5 Ca -0.07 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.96 2ker h PRO 5 Cb 1.04 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 31.90 2ker h PRO 5 CO 0.31 0.00 -0.33 0.54 -0.23 0.00 0.00 178.00 178.28 2ker s VAL 6 N -1.30 -0.37 0.00 1.56 0.11 -1.26 -3.97 120.40 115.17 2ker s VAL 6 Ca -0.03 0.14 0.00 0.00 -2.93 0.00 0.00 61.98 59.15 2ker s VAL 6 Cb 0.00 -0.64 0.00 0.00 -1.53 0.00 0.00 36.38 34.21 2ker s VAL 6 CO 0.05 0.06 0.00 0.00 -3.33 0.00 0.00 175.10 171.87 2ker n ALA 7 N 4.89 0.00 0.00 1.54 0.00 -1.26 -4.02 120.51 121.67 2ker n ALA 7 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2ker n ALA 7 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 2ker n ALA 7 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2ker n GLU 8 N -0.38 0.00 0.08 0.00 1.02 -1.26 -4.68 120.64 115.41 2ker n GLU 8 Ca 0.00 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.27 2ker n GLU 8 Cb 0.00 -1.27 0.30 0.00 -0.02 0.00 0.00 31.44 30.45 2ker n GLU 8 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ker s VAL 10 N -3.12 5.27 -0.09 0.00 -7.23 -1.26 0.02 120.40 113.99 2ker s VAL 10 Ca 0.09 0.57 -0.01 0.00 -1.81 0.00 0.00 61.98 60.82 2ker s VAL 10 Cb 0.13 -3.62 0.03 0.00 0.56 0.00 0.00 36.38 33.48 2ker s VAL 10 CO 0.65 0.47 -0.03 -0.70 -0.31 0.00 0.00 175.10 175.19 2ker s GLU 11 N -0.16 0.97 0.34 4.82 2.12 0.19 -4.83 118.70 122.15 2ker s GLU 11 Ca 0.18 -0.06 0.03 0.00 0.36 0.00 0.00 54.97 55.48 2ker s GLU 11 Cb -0.14 -1.26 -0.02 0.00 0.26 0.00 0.00 34.13 32.97 2ker s GLU 11 CO 0.06 -0.30 0.51 1.52 -0.54 0.00 0.00 175.26 176.51 2ker s TYR 12 N 1.86 3.35 0.34 5.30 -0.85 -1.24 0.30 117.35 126.41 2ker s TYR 12 Ca 0.05 0.11 0.04 0.00 -0.52 0.00 0.00 57.07 56.75 2ker s TYR 12 Cb -0.13 -1.92 -0.02 0.00 0.38 0.00 0.00 41.96 40.27 2ker s TYR 12 CO -0.06 0.07 0.35 0.12 -1.52 0.00 0.00 175.55 174.51 2ker s PHE 13 N -2.25 1.50 -0.09 -3.49 5.36 -0.08 -4.93 117.98 113.99 2ker s PHE 13 Ca 0.41 -1.53 -0.02 0.00 -0.96 0.00 0.00 56.93 54.83 2ker s PHE 13 Cb -0.09 -0.48 0.04 0.00 -0.34 0.00 0.00 43.02 42.15 2ker s PHE 13 CO 0.34 -0.97 0.03 1.14 -1.46 0.00 0.00 175.22 174.29 2ker s GLN 14 N -3.29 0.39 -0.58 10.12 -2.07 -1.26 -1.54 119.66 121.43 2ker s GLN 14 Ca 0.37 0.07 0.04 0.00 -1.82 0.00 0.00 55.36 54.02 2ker s GLN 14 Cb 0.01 -1.13 0.14 0.00 -1.09 0.00 0.00 33.01 30.94 2ker s GLN 14 CO 0.25 -0.40 0.34 -1.54 -1.32 0.00 0.00 175.29 172.61 2ker s SER 15 N 2.02 4.42 0.00 12.60 1.04 -0.20 -4.98 113.70 128.61 2ker s SER 15 Ca 0.04 -3.28 0.00 0.00 0.48 0.00 0.00 55.95 53.19 2ker s SER 15 Cb -0.13 -1.60 0.00 0.00 0.10 0.00 0.00 66.02 64.39 2ker s SER 15 CO -0.06 -0.18 0.00 0.79 0.98 0.00 0.00 173.24 174.77 2ker n TRP 16 N 2.74 0.00 -0.74 5.02 8.01 -1.26 -2.01 117.44 129.20 2ker n TRP 16 Ca 0.10 0.00 0.07 0.00 -1.31 0.00 0.00 57.50 56.36 2ker n TRP 16 Cb 0.33 0.00 0.09 0.00 -2.01 0.00 0.00 31.31 29.73 2ker n TRP 16 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.69 179.57 2ker n ARG 17 N 0.00 1.81 -3.69 -0.99 1.85 -1.26 -1.83 116.66 112.55 2ker n ARG 17 Ca 0.00 -2.21 -0.30 0.00 -1.00 0.00 0.00 57.85 54.35 2ker n ARG 17 Cb 0.00 -1.32 -0.14 0.00 -1.05 0.00 0.00 32.46 29.94 2ker n ARG 17 CO 0.00 0.00 0.00 -0.47 -0.01 0.00 0.00 177.63 177.15 2ker s TYR 18 N -2.23 1.59 -0.70 2.89 6.14 -0.85 -2.65 117.35 121.53 2ker s TYR 18 Ca 0.21 -1.85 -0.23 0.00 0.64 0.00 0.00 57.07 55.84 2ker s TYR 18 Cb 0.19 -1.63 0.06 0.00 0.42 0.00 0.00 41.96 41.00 2ker s TYR 18 CO 0.02 -0.85 1.06 0.99 0.64 0.00 0.00 175.55 177.41 2ker s THR 19 N 1.28 4.20 -0.47 4.34 2.01 0.50 -1.03 115.64 126.46 2ker s THR 19 Ca 0.13 -0.28 -0.25 0.00 0.31 0.00 0.00 61.69 61.60 2ker s THR 19 Cb -0.20 -4.75 0.03 0.00 0.01 0.00 0.00 72.50 67.59 2ker s THR 19 CO -0.17 -1.56 0.92 1.51 -0.69 0.00 0.00 174.62 174.63 2ker s ASP 20 N 3.73 6.48 -0.44 3.53 -4.77 -0.59 -2.59 116.67 122.02 2ker s ASP 20 Ca 0.26 0.07 -0.14 0.00 -3.30 0.00 0.00 52.55 49.44 2ker s ASP 20 Cb -0.14 -2.45 0.06 0.00 -1.09 0.00 0.00 42.92 39.30 2ker s ASP 20 CO 0.09 -1.06 0.34 0.54 0.70 0.00 0.00 175.17 175.78 2ker s VAL 21 N 3.76 5.04 -0.40 2.11 0.11 -1.18 -0.90 120.40 128.94 2ker s VAL 21 Ca 0.36 -1.02 -0.16 0.00 -2.93 0.00 0.00 61.98 58.24 2ker s VAL 21 Cb -0.10 -3.96 0.01 0.00 -1.53 0.00 0.00 36.38 30.80 2ker s VAL 21 CO 0.26 -0.49 0.36 -1.38 -3.33 0.00 0.00 175.10 170.52 2ker s HIS 22 N 1.61 3.21 0.51 1.54 -3.43 0.15 -2.20 115.29 116.67 2ker s HIS 22 Ca 0.04 -0.42 -0.15 0.00 -0.80 0.00 0.00 55.06 53.73 2ker s HIS 22 Cb -0.23 -2.71 -0.07 0.00 -1.43 0.00 0.00 32.58 28.14 2ker s HIS 22 CO 0.07 -0.60 0.95 1.21 -2.00 0.00 0.00 174.74 174.37 2ker s ASN 23 N 1.74 6.58 -0.18 7.38 3.84 -0.37 -0.64 114.94 133.29 2ker s ASN 23 Ca 0.09 1.49 0.17 0.00 0.21 0.00 0.00 52.86 54.81 2ker s ASN 23 Cb -0.18 -2.48 0.37 0.00 -0.55 0.00 0.00 41.25 38.42 2ker s ASN 23 CO 0.12 -0.58 1.23 0.61 -2.79 0.00 0.00 177.10 175.69 2ker n GLY 24 N -1.62 1.47 0.04 1.21 0.00 0.10 -2.66 105.19 103.74 2ker n GLY 24 Ca 0.06 -0.57 -0.01 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.25 0.00 -2.57 0.00 0.00 -1.26 -5.04 120.51 109.39 2ker n ALA 26 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.18 2ker n ALA 26 Cb 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.39 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 0.00 4.18 0.05 0.00 -4.77 -1.26 -4.67 116.67 110.19 2ker s ASP 27 Ca 0.00 -0.71 -0.31 0.00 -3.30 0.00 0.00 52.55 48.23 2ker s ASP 27 Cb 0.00 -0.66 -0.06 0.00 -1.09 0.00 0.00 42.92 41.11 2ker s ASP 27 CO 0.00 0.05 1.38 0.00 0.70 0.00 0.00 175.17 177.31 2ker s ALA 28 N -2.10 3.57 -0.02 2.11 0.00 -1.26 -4.23 121.76 119.83 2ker s ALA 28 Ca 0.28 0.96 0.06 0.00 0.00 0.00 0.00 51.96 53.26 2ker s ALA 28 Cb -0.07 -3.56 -0.01 0.00 0.00 0.00 0.00 23.12 19.47 2ker s ALA 28 CO 0.17 -0.77 -0.19 0.14 0.00 0.00 0.00 175.76 175.11 2ker s VAL 29 N 1.85 1.49 -0.26 0.00 -7.23 -1.05 -4.88 120.40 110.32 2ker s VAL 29 Ca 0.64 -0.80 -0.22 0.00 -1.81 0.00 0.00 61.98 59.79 2ker s VAL 29 Cb -0.33 -1.24 -0.01 0.00 0.56 0.00 0.00 36.38 35.35 2ker s VAL 29 CO 0.28 0.42 0.69 -0.44 -0.31 0.00 0.00 175.10 175.74 2ker s SER 30 N -0.40 6.64 0.10 4.85 0.01 -1.26 0.84 113.70 124.49 2ker s SER 30 Ca 0.06 0.78 0.10 0.00 1.31 0.00 0.00 55.95 58.20 2ker s SER 30 Cb -0.08 -2.37 -0.04 0.00 0.21 0.00 0.00 66.02 63.75 2ker s SER 30 CO -0.00 -0.43 -0.25 0.68 0.41 0.00 0.00 173.24 173.65 2ker s VAL 31 N 2.62 2.37 0.21 3.43 -7.23 0.83 0.10 120.40 122.74 2ker s VAL 31 Ca 0.29 -1.60 0.07 0.00 -1.81 0.00 0.00 61.98 58.93 2ker s VAL 31 Cb -0.15 -2.03 -0.05 0.00 0.56 0.00 0.00 36.38 34.71 2ker s VAL 31 CO 0.09 0.17 -0.12 0.28 -0.31 0.00 0.00 175.10 175.20 2ker s THR 32 N -1.01 1.64 -0.01 5.32 -1.32 0.19 0.57 115.64 121.02 2ker s THR 32 Ca 0.14 -2.18 0.02 0.00 -1.21 0.00 0.00 61.69 58.46 2ker s THR 32 Cb -0.10 -2.09 -0.00 0.00 -1.51 0.00 0.00 72.50 68.80 2ker s THR 32 CO 0.06 -0.56 -0.05 0.68 -2.21 0.00 0.00 174.62 172.53 2ker s VAL 33 N -3.03 0.43 -0.27 5.08 -7.23 -1.26 0.60 120.40 114.71 2ker s VAL 33 Ca 0.23 -0.22 -0.10 0.00 -1.81 0.00 0.00 61.98 60.08 2ker s VAL 33 Cb 0.00 -0.38 -0.05 0.00 0.56 0.00 0.00 36.38 36.52 2ker s VAL 33 CO 0.07 0.13 0.17 -0.70 -0.31 0.00 0.00 175.10 174.46 2ker s GLU 34 N -0.02 3.92 0.22 4.82 2.56 0.15 -4.08 118.70 126.27 2ker s GLU 34 Ca 0.01 -0.34 0.05 0.00 0.00 0.00 0.00 54.97 54.69 2ker s GLU 34 Cb -0.03 -3.61 -0.03 0.00 2.00 0.00 0.00 34.13 32.46 2ker s GLU 34 CO -0.00 -0.16 0.34 0.71 -0.56 0.00 0.00 175.26 175.58 2ker s TYR 35 N 1.69 3.45 0.43 5.30 1.51 -1.26 0.69 117.35 129.16 2ker s TYR 35 Ca 0.07 0.01 0.23 0.00 -1.01 0.00 0.00 57.07 56.37 2ker s TYR 35 Cb -0.16 -1.59 1.22 0.00 -0.11 0.00 0.00 41.96 41.33 2ker s TYR 35 CO 0.10 0.46 1.77 1.15 -1.11 0.00 0.00 175.55 177.92 2ker h THR 36 N 1.27 0.48 0.00 -0.71 2.02 -0.43 -3.36 112.91 112.18 2ker h THR 36 Ca -0.51 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 66.57 2ker h THR 36 Cb 1.22 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 2ker h THR 36 CO 0.63 0.05 0.00 1.41 0.37 0.00 0.00 175.52 177.98 2ker n HIS 37 N -4.53 0.00 0.00 3.16 8.25 -1.26 -4.95 115.22 115.89 2ker n HIS 37 Ca 0.26 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.72 2ker n HIS 37 Cb 0.99 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.10 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 2.96 0.00 3.75 -1.41 0.00 -1.26 -5.12 105.19 104.10 2ker n GLY 38 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2ker n GLY 38 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ker s GLN 39 N 0.00 2.65 0.20 1.61 -1.52 -1.26 -4.98 119.66 116.35 2ker s GLN 39 Ca 0.00 1.63 -0.30 0.00 -1.95 0.00 0.00 55.36 54.74 2ker s GLN 39 Cb 0.00 -1.91 -0.08 0.00 -0.22 0.00 0.00 33.01 30.80 2ker s GLN 39 CO 0.00 -1.41 1.09 1.67 -0.25 0.00 0.00 175.29 176.39 2ker s TRP 40 N -2.01 3.62 0.00 0.91 -2.14 -1.26 -4.48 118.94 113.57 2ker s TRP 40 Ca 0.72 1.64 0.00 0.00 2.66 0.00 0.00 56.10 61.12 2ker s TRP 40 Cb -0.26 -3.25 0.00 0.00 -3.10 0.00 0.00 33.47 26.86 2ker s TRP 40 CO 0.40 -0.52 0.00 0.00 -2.66 0.00 0.00 176.95 174.17 2ker n ALA 41 N 2.15 0.00 -0.87 2.67 0.00 -1.26 -5.05 120.51 118.14 2ker n ALA 41 Ca 0.02 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.29 2ker n ALA 41 Cb 0.46 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.86 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 0.00 0.01 0.00 0.00 -0.04 -1.26 -4.29 135.00 129.42 2ker n PRO 42 Ca 0.00 -0.49 0.00 0.00 -0.04 0.00 0.00 63.50 62.97 2ker n PRO 42 Cb 0.00 -1.77 0.00 0.00 -0.04 0.00 0.00 33.50 31.69 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 0.33 0.17 0.00 3.00 0.19 -4.56 118.95 118.09 2ker s ARG 44 Ca 0.00 0.82 -0.29 0.00 -1.00 0.00 0.00 55.73 55.26 2ker s ARG 44 Cb 0.00 0.06 -0.07 0.00 0.00 0.00 0.00 34.95 34.93 2ker s ARG 44 CO 0.00 -0.19 0.93 0.54 0.00 0.00 0.00 175.30 176.57 2ker s VAL 45 N 1.80 4.31 0.05 7.11 0.11 -1.26 -0.12 120.40 132.40 2ker s VAL 45 Ca -0.07 2.03 -0.07 0.00 -2.93 0.00 0.00 61.98 60.94 2ker s VAL 45 Cb -0.10 -4.30 -0.05 0.00 -1.53 0.00 0.00 36.38 30.40 2ker s VAL 45 CO -0.12 0.42 0.33 -0.51 -3.33 0.00 0.00 175.10 171.89 2ker s ILE 46 N -0.61 5.20 0.11 7.04 1.10 0.25 -4.91 121.20 129.38 2ker s ILE 46 Ca 0.43 0.25 -0.21 0.00 -0.51 0.00 0.00 60.65 60.61 2ker s ILE 46 Cb -0.24 -3.61 -0.07 0.00 0.15 0.00 0.00 42.46 38.69 2ker s ILE 46 CO 0.30 0.29 0.64 -1.61 -2.11 0.00 0.00 174.94 172.45 2ker s GLU 47 N -1.95 4.30 -0.93 3.50 2.02 -1.26 -2.51 118.70 121.86 2ker s GLU 47 Ca 0.32 0.86 -0.22 0.00 0.02 0.00 0.00 54.97 55.94 2ker s GLU 47 Cb -0.13 -3.21 -0.24 0.00 0.10 0.00 0.00 34.13 30.64 2ker s GLU 47 CO 0.18 0.60 2.46 -2.30 0.02 0.00 0.00 175.26 176.22 2ker n PRO 48 N 1.59 0.15 -0.02 0.39 -0.02 -1.26 0.88 135.00 136.70 2ker n PRO 48 Ca -0.08 -0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.33 2ker n PRO 48 Cb 0.50 -1.69 0.00 0.00 -0.02 0.00 0.00 33.50 32.29 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 6.12 0.77 0.72 -1.23 0.00 -1.09 -4.87 105.19 105.62 2ker n GLY 49 Ca 0.62 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.60 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 -2.01 1.03 3.59 -0.02 0.00 0.25 -4.60 105.19 103.43 2ker n GLY 50 Ca 0.00 -2.01 -0.27 0.00 0.00 0.00 0.00 46.02 43.74 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 -0.20 2.46 -0.14 1.61 0.52 -1.25 -1.23 118.94 120.72 2ker s TRP 51 Ca 0.12 -0.57 -0.04 0.00 0.02 0.00 0.00 56.10 55.63 2ker s TRP 51 Cb -0.01 -1.57 0.06 0.00 -1.15 0.00 0.00 33.47 30.80 2ker s TRP 51 CO 0.08 0.51 0.15 0.00 0.02 0.00 0.00 176.95 177.71 2ker s ALA 52 N -2.65 0.01 -0.02 0.98 0.00 -0.94 -4.78 121.76 114.36 2ker s ALA 52 Ca 0.34 0.20 -0.29 0.00 0.00 0.00 0.00 51.96 52.21 2ker s ALA 52 Cb 0.06 -1.00 -0.03 0.00 0.00 0.00 0.00 23.12 22.15 2ker s ALA 52 CO 0.17 -0.90 0.94 0.99 0.00 0.00 0.00 175.76 176.96 2ker s THR 53 N 2.25 4.89 0.00 0.00 2.01 -1.26 -3.11 115.64 120.41 2ker s THR 53 Ca 0.04 1.97 0.01 0.00 0.31 0.00 0.00 61.69 64.02 2ker s THR 53 Cb -0.14 -4.28 -0.00 0.00 0.01 0.00 0.00 72.50 68.09 2ker s THR 53 CO -0.08 0.15 -0.04 -0.36 -0.69 0.00 0.00 174.62 173.61 2ker s PHE 54 N 1.10 0.31 -0.41 4.92 0.08 -1.07 -4.95 117.98 117.96 2ker s PHE 54 Ca 0.49 -0.10 -0.30 0.00 0.12 0.00 0.00 56.93 57.14 2ker s PHE 54 Cb -0.20 -0.20 -0.09 0.00 -0.57 0.00 0.00 43.02 41.95 2ker s PHE 54 CO 0.25 -0.02 2.31 0.00 -0.10 0.00 0.00 175.22 177.67 2ker n ALA 55 N 2.85 1.13 -1.00 5.36 0.00 -1.26 -0.37 120.51 127.22 2ker n ALA 55 Ca -0.14 -0.38 -0.02 0.00 0.00 0.00 0.00 53.44 52.90 2ker n ALA 55 Cb 0.58 -2.82 0.03 0.00 0.00 0.00 0.00 19.45 17.24 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 6.18 -2.65 2.61 0.00 0.00 -1.08 -4.30 105.19 105.94 2ker n GLY 56 Ca 0.39 -1.42 -0.41 0.00 0.00 0.00 0.00 46.02 44.58 2ker n GLY 56 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2ker n TYR 57 N -2.81 2.96 -2.26 1.61 4.11 -0.76 -3.92 117.16 116.09 2ker n TYR 57 Ca 0.01 -2.94 -0.28 0.00 -0.00 0.00 0.00 57.90 54.69 2ker n TYR 57 Cb 0.06 -2.29 0.03 0.00 -0.00 0.00 0.00 39.34 37.14 2ker n TYR 57 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.86 177.06 2ker s GLY 58 N 1.94 1.60 0.29 -7.48 0.00 -1.15 -4.87 107.32 97.65 2ker s GLY 58 Ca 0.52 -0.50 -0.30 0.00 0.00 0.00 0.00 44.72 44.44 2ker s GLY 58 CO -0.06 -0.23 1.60 -0.37 0.00 0.00 0.00 173.10 174.04 2ker n THR 59 N -2.64 0.99 -0.98 0.90 5.66 -1.26 -0.55 114.28 116.40 2ker n THR 59 Ca 0.04 -0.25 0.00 0.00 -3.05 0.00 0.00 64.05 60.80 2ker n THR 59 Cb 0.57 -1.95 0.00 0.00 -1.55 0.00 0.00 70.33 67.40 2ker n THR 59 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 2ker n ASP 60 N 2.22 -4.97 0.00 1.09 8.00 -1.26 -4.94 116.55 116.69 2ker n ASP 60 Ca 0.09 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.59 2ker n ASP 60 Cb 0.36 -2.75 0.00 0.00 -0.02 0.00 0.00 41.12 38.71 2ker n ASP 60 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ker n GLY 61 N -0.05 1.98 0.00 0.44 0.00 0.29 -5.15 105.19 102.69 2ker n GLY 61 Ca 0.00 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.19 2ker n GLY 61 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2ker n ASN 62 N 0.00 0.74 -3.15 1.61 5.03 -1.25 -4.82 115.26 113.42 2ker n ASN 62 Ca 0.00 0.00 0.05 0.00 0.87 0.00 0.00 54.58 55.50 2ker n ASN 62 Cb 0.00 0.00 -0.01 0.00 -1.02 0.00 0.00 39.78 38.75 2ker n ASN 62 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 2ker s TYR 63 N 1.58 -0.90 0.12 3.10 6.14 -1.26 -3.52 117.35 122.60 2ker s TYR 63 Ca 0.00 0.91 -0.31 0.00 0.64 0.00 0.00 57.07 58.31 2ker s TYR 63 Cb 0.00 0.30 -0.09 0.00 0.42 0.00 0.00 41.96 42.59 2ker s TYR 63 CO 0.00 -0.49 1.51 0.14 0.64 0.00 0.00 175.55 177.34 2ker s VAL 64 N 2.92 3.01 -0.01 3.14 -7.23 -1.26 0.35 120.40 121.33 2ker s VAL 64 Ca 0.08 0.67 0.01 0.00 -1.81 0.00 0.00 61.98 60.92 2ker s VAL 64 Cb -0.11 -3.43 -0.01 0.00 0.56 0.00 0.00 36.38 33.39 2ker s VAL 64 CO -0.15 0.04 0.00 0.35 -0.31 0.00 0.00 175.10 175.03 2ker n THR 65 N 4.14 0.04 -3.65 5.32 -2.24 0.22 -4.91 114.28 113.20 2ker n THR 65 Ca 0.13 -0.03 -0.23 0.00 -2.27 0.00 0.00 64.05 61.65 2ker n THR 65 Cb 0.41 -0.81 -0.17 0.00 -2.10 0.00 0.00 70.33 67.65 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 -2.97 0.30 0.37 3.38 0.00 -1.13 -4.81 107.32 102.46 2ker s GLY 66 Ca -0.00 -0.07 -0.24 0.00 0.00 0.00 0.00 44.72 44.41 2ker s GLY 66 CO 0.03 1.52 0.96 1.08 0.00 0.00 0.00 173.10 176.69 2ker s LEU 67 N 2.13 4.17 0.04 0.66 1.43 -1.26 0.31 118.68 126.16 2ker s LEU 67 Ca 0.03 1.81 -0.01 0.00 -1.03 0.00 0.00 54.13 54.93 2ker s LEU 67 Cb -0.14 -4.23 -0.03 0.00 0.03 0.00 0.00 46.19 41.82 2ker s LEU 67 CO -0.06 -0.23 -0.02 -1.00 0.23 0.00 0.00 176.35 175.27 2ker s HIS 68 N -1.82 0.45 -0.08 0.29 3.76 0.20 -4.19 115.29 113.89 2ker s HIS 68 Ca 0.55 -0.94 -0.30 0.00 -0.15 0.00 0.00 55.06 54.23 2ker s HIS 68 Cb -0.16 -0.34 -0.02 0.00 1.11 0.00 0.00 32.58 33.18 2ker s HIS 68 CO 0.20 -0.35 1.02 0.99 -0.85 0.00 0.00 174.74 175.75 2ker s THR 69 N -3.41 4.76 0.32 1.30 2.01 -1.26 0.54 115.64 119.90 2ker s THR 69 Ca 0.02 2.01 -0.00 0.00 0.31 0.00 0.00 61.69 64.03 2ker s THR 69 Cb 0.04 -4.29 -0.04 0.00 0.01 0.00 0.00 72.50 68.22 2ker s THR 69 CO -0.08 0.04 0.53 0.00 -0.69 0.00 0.00 174.62 174.42 2ker s ASP 71 N -3.84 0.67 0.00 0.00 -4.77 -1.26 -4.38 116.67 103.09 2ker s ASP 71 Ca 0.40 -0.33 0.00 0.00 -3.30 0.00 0.00 52.55 49.32 2ker s ASP 71 Cb -0.10 -0.00 0.00 0.00 -1.09 0.00 0.00 42.92 41.73 2ker s ASP 71 CO 0.34 -0.09 0.00 -2.65 0.70 0.00 0.00 175.17 173.48 2ker n PRO 72 N 2.17 0.00 -2.70 2.11 -0.02 -1.26 -4.68 135.00 130.62 2ker n PRO 72 Ca -0.18 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.24 2ker n PRO 72 Cb 0.56 0.00 0.06 0.00 -0.02 0.00 0.00 33.50 34.10 2ker n PRO 72 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ker n ALA 73 N 0.00 -2.69 -2.68 3.55 0.00 -1.26 -5.15 120.51 112.28 2ker n ALA 73 Ca 0.00 -0.73 -0.42 0.00 0.00 0.00 0.00 53.44 52.29 2ker n ALA 73 Cb 0.00 -2.43 -0.03 0.00 0.00 0.00 0.00 19.45 16.99 2ker n ALA 73 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2ker s THR 74 N 0.43 4.79 0.00 0.00 2.01 -1.26 -4.92 115.64 116.69 2ker s THR 74 Ca 0.28 2.02 0.00 0.00 0.31 0.00 0.00 61.69 64.31 2ker s THR 74 Cb 0.20 -4.30 0.00 0.00 0.01 0.00 0.00 72.50 68.41 2ker s THR 74 CO -0.15 0.08 0.62 -0.81 -0.69 0.00 0.00 174.62 173.67 2ker n PRO 75 N 4.49 0.00 -3.15 4.92 -0.04 -1.26 -4.52 135.00 135.44 2ker n PRO 75 Ca 0.08 0.41 -0.44 0.00 -0.04 0.00 0.00 63.50 63.51 2ker n PRO 75 Cb 0.50 -1.25 -0.06 0.00 -0.04 0.00 0.00 33.50 32.65 2ker n PRO 75 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2ker s SER 76 N -2.21 6.22 0.00 3.54 1.04 -1.26 -4.78 113.70 116.24 2ker s SER 76 Ca 0.00 -0.98 0.00 0.00 0.48 0.00 0.00 55.95 55.45 2ker s SER 76 Cb 0.00 -2.29 0.00 0.00 0.10 0.00 0.00 66.02 63.83 2ker s SER 76 CO 0.00 -0.92 0.00 0.61 0.98 0.00 0.00 173.24 173.91 2ker n GLY 77 N 5.19 0.03 0.71 7.32 0.00 -1.26 -5.16 105.19 112.01 2ker n GLY 77 Ca -0.07 -0.15 0.13 0.00 0.00 0.00 0.00 46.02 45.93 2ker n GLY 77 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87