#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 -3.14 0.00 -1.04 -1.26 -5.14 114.28 103.70 2ker n THR 2 Ca 0.00 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.82 2ker n THR 2 Cb 0.00 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 68.53 2ker n THR 2 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2ker s GLY 3 N -2.00 1.91 -0.70 3.41 0.00 -1.26 -5.08 107.32 103.60 2ker s GLY 3 Ca 0.00 -1.86 -0.01 0.00 0.00 0.00 0.00 44.72 42.85 2ker s GLY 3 CO 0.00 -1.62 0.53 -0.56 0.00 0.00 0.00 173.10 171.45 2ker s SER 4 N -4.45 5.35 -0.15 1.64 0.01 -1.26 -4.90 113.70 109.96 2ker s SER 4 Ca 0.56 -3.21 -0.14 0.00 1.31 0.00 0.00 55.95 54.47 2ker s SER 4 Cb -0.07 -1.84 -0.24 0.00 0.21 0.00 0.00 66.02 64.08 2ker s SER 4 CO 0.34 -0.28 0.36 1.55 0.41 0.00 0.00 173.24 175.62 2ker h PRO 5 N 6.55 0.17 0.00 12.44 0.13 -1.94 -3.49 132.00 145.86 2ker h PRO 5 Ca 0.05 -0.30 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 2ker h PRO 5 Cb 0.89 0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.13 2ker h PRO 5 CO 0.75 1.14 0.00 1.33 -0.23 0.00 0.00 178.00 180.99 2ker n VAL 6 N -3.89 0.00 0.00 1.56 0.24 -1.26 -3.48 118.33 111.50 2ker n VAL 6 Ca -0.31 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 61.99 2ker n VAL 6 Cb 0.90 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.27 2ker n VAL 6 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2ker n ALA 7 N -3.00 1.24 0.00 2.33 0.00 -1.26 -4.81 120.51 115.01 2ker n ALA 7 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2ker n ALA 7 Cb 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 18.63 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 -0.90 0.00 0.08 0.00 1.02 -1.26 -4.58 120.64 115.00 2ker n GLU 8 Ca 0.00 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.26 2ker n GLU 8 Cb 0.00 -0.20 0.46 0.00 -0.02 0.00 0.00 31.44 31.67 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 -3.14 5.31 -0.06 0.00 -7.23 -1.26 -0.84 120.40 113.18 2ker s VAL 10 Ca 0.09 0.48 -0.03 0.00 -1.81 0.00 0.00 61.98 60.71 2ker s VAL 10 Cb 0.12 -3.55 0.04 0.00 0.56 0.00 0.00 36.38 33.55 2ker s VAL 10 CO 0.48 0.55 0.14 -0.70 -0.31 0.00 0.00 175.10 175.26 2ker s GLU 11 N -0.65 0.09 0.42 4.82 2.12 0.03 -4.89 118.70 120.64 2ker s GLU 11 Ca 0.18 0.37 0.03 0.00 0.36 0.00 0.00 54.97 55.90 2ker s GLU 11 Cb -0.14 -0.19 -0.00 0.00 0.26 0.00 0.00 34.13 34.07 2ker s GLU 11 CO 0.07 -0.17 0.61 1.52 -0.54 0.00 0.00 175.26 176.75 2ker s TYR 12 N 1.18 3.15 0.04 5.30 -0.85 -1.25 -0.19 117.35 124.73 2ker s TYR 12 Ca -0.09 0.05 -0.08 0.00 -0.52 0.00 0.00 57.07 56.44 2ker s TYR 12 Cb -0.12 -2.24 -0.00 0.00 0.38 0.00 0.00 41.96 39.98 2ker s TYR 12 CO -0.06 -0.29 0.15 0.12 -1.52 0.00 0.00 175.55 173.95 2ker s PHE 13 N -2.44 0.11 -0.39 -3.49 5.36 -0.19 -4.92 117.98 112.03 2ker s PHE 13 Ca 0.48 -0.36 -0.10 0.00 -0.96 0.00 0.00 56.93 55.99 2ker s PHE 13 Cb -0.10 -0.08 0.05 0.00 -0.34 0.00 0.00 43.02 42.55 2ker s PHE 13 CO 0.36 -0.39 0.22 -0.65 -1.46 0.00 0.00 175.22 173.29 2ker s GLN 14 N -2.46 2.73 0.00 10.12 1.11 -1.26 -0.55 119.66 129.34 2ker s GLN 14 Ca -0.06 -1.23 0.00 0.00 0.01 0.00 0.00 55.36 54.08 2ker s GLN 14 Cb -0.02 -3.73 0.00 0.00 -1.01 0.00 0.00 33.01 28.26 2ker s GLN 14 CO -0.04 -0.79 0.00 0.43 0.01 0.00 0.00 175.29 174.90 2ker n SER 15 N 4.96 0.00 -4.55 5.90 7.64 0.17 -4.96 113.62 122.77 2ker n SER 15 Ca -0.11 -0.69 -0.39 0.00 1.01 0.00 0.00 58.87 58.69 2ker n SER 15 Cb 0.45 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.62 2ker n SER 15 CO 0.00 0.00 0.00 0.86 -3.01 0.00 0.00 175.04 172.89 2ker s TRP 16 N 1.25 1.66 -1.51 1.43 -0.00 -1.26 -2.59 118.94 117.91 2ker s TRP 16 Ca 0.00 0.80 0.00 0.00 -0.00 0.00 0.00 56.10 56.90 2ker s TRP 16 Cb 0.00 -4.08 0.00 0.00 -0.00 0.00 0.00 33.47 29.39 2ker s TRP 16 CO 0.00 -2.35 0.00 0.54 -0.00 0.00 0.00 176.95 175.14 2ker n ARG 17 N 9.13 -1.32 -3.43 5.86 1.74 -1.26 -4.96 116.66 122.41 2ker n ARG 17 Ca 0.21 0.87 -0.19 0.00 -0.77 0.00 0.00 57.85 57.97 2ker n ARG 17 Cb 0.52 -5.27 -0.11 0.00 -1.02 0.00 0.00 32.46 26.58 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 -2.81 -0.33 -0.74 -1.55 6.14 -1.07 -3.71 117.35 113.29 2ker s TYR 18 Ca 0.00 -0.19 -0.21 0.00 0.64 0.00 0.00 57.07 57.31 2ker s TYR 18 Cb 0.00 -0.50 0.10 0.00 0.42 0.00 0.00 41.96 41.98 2ker s TYR 18 CO 0.00 -0.85 0.98 0.99 0.64 0.00 0.00 175.55 177.30 2ker s THR 19 N 2.32 4.54 -0.53 4.34 2.01 0.33 0.44 115.64 129.10 2ker s THR 19 Ca 0.09 -0.86 -0.26 0.00 0.31 0.00 0.00 61.69 60.97 2ker s THR 19 Cb -0.15 -4.69 0.03 0.00 0.01 0.00 0.00 72.50 67.71 2ker s THR 19 CO -0.30 -1.42 1.00 1.51 -0.69 0.00 0.00 174.62 174.72 2ker s ASP 20 N 3.65 6.42 -0.44 3.53 -4.77 0.28 -2.59 116.67 122.76 2ker s ASP 20 Ca 0.24 -0.07 -0.16 0.00 -3.30 0.00 0.00 52.55 49.25 2ker s ASP 20 Cb -0.14 -2.47 0.03 0.00 -1.09 0.00 0.00 42.92 39.25 2ker s ASP 20 CO 0.03 -1.23 0.40 0.54 0.70 0.00 0.00 175.17 175.61 2ker s VAL 21 N 4.12 5.16 -0.36 2.11 0.11 -1.16 -1.02 120.40 129.36 2ker s VAL 21 Ca 0.36 -0.61 -0.15 0.00 -2.93 0.00 0.00 61.98 58.65 2ker s VAL 21 Cb -0.10 -4.04 -0.01 0.00 -1.53 0.00 0.00 36.38 30.70 2ker s VAL 21 CO 0.23 -0.45 0.32 -1.38 -3.33 0.00 0.00 175.10 170.50 2ker s HIS 22 N 1.92 3.22 0.65 1.54 -3.43 0.74 -2.21 115.29 117.71 2ker s HIS 22 Ca 0.08 -0.20 -0.10 0.00 -0.80 0.00 0.00 55.06 54.04 2ker s HIS 22 Cb -0.19 -2.63 -0.00 0.00 -1.43 0.00 0.00 32.58 28.33 2ker s HIS 22 CO 0.11 -0.46 1.02 1.21 -2.00 0.00 0.00 174.74 174.61 2ker s ASN 23 N 1.73 5.68 0.00 7.38 2.47 -0.48 -0.79 114.94 130.93 2ker s ASN 23 Ca 0.09 1.07 0.04 0.00 0.42 0.00 0.00 52.86 54.48 2ker s ASN 23 Cb -0.17 -2.00 0.07 0.00 -1.45 0.00 0.00 41.25 37.70 2ker s ASN 23 CO 0.11 -1.13 0.87 0.61 -3.72 0.00 0.00 177.10 173.84 2ker n GLY 24 N -2.80 0.75 0.09 1.21 0.00 -0.02 -2.95 105.19 101.46 2ker n GLY 24 Ca 0.06 -0.15 0.13 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.74 0.00 -2.38 0.00 0.00 -1.26 -4.99 120.51 110.14 2ker n ALA 26 Ca 0.05 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.30 2ker n ALA 26 Cb 0.39 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.74 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 -3.47 2.58 -0.10 0.00 -4.77 -1.26 -4.68 116.67 104.97 2ker s ASP 27 Ca 0.00 -0.97 -0.29 0.00 -3.30 0.00 0.00 52.55 47.98 2ker s ASP 27 Cb 0.00 -0.14 -0.04 0.00 -1.09 0.00 0.00 42.92 41.65 2ker s ASP 27 CO 0.00 -0.13 1.46 0.00 0.70 0.00 0.00 175.17 177.20 2ker s ALA 28 N -2.70 3.64 -0.01 2.11 0.00 -1.26 -3.97 121.76 119.57 2ker s ALA 28 Ca 0.20 0.72 0.06 0.00 0.00 0.00 0.00 51.96 52.94 2ker s ALA 28 Cb -0.02 -3.68 -0.02 0.00 0.00 0.00 0.00 23.12 19.40 2ker s ALA 28 CO 0.07 -1.27 -0.18 0.14 0.00 0.00 0.00 175.76 174.52 2ker s VAL 29 N 3.70 1.43 -0.25 0.00 -7.23 -1.02 -4.87 120.40 112.17 2ker s VAL 29 Ca 0.64 -0.82 -0.22 0.00 -1.81 0.00 0.00 61.98 59.78 2ker s VAL 29 Cb -0.28 -1.20 -0.01 0.00 0.56 0.00 0.00 36.38 35.45 2ker s VAL 29 CO 0.23 0.36 0.69 -0.44 -0.31 0.00 0.00 175.10 175.63 2ker s SER 30 N -0.53 6.67 0.29 4.85 0.01 -1.26 0.67 113.70 124.39 2ker s SER 30 Ca 0.07 0.82 0.11 0.00 1.31 0.00 0.00 55.95 58.26 2ker s SER 30 Cb -0.07 -2.37 -0.05 0.00 0.21 0.00 0.00 66.02 63.74 2ker s SER 30 CO -0.00 -0.41 -0.10 0.68 0.41 0.00 0.00 173.24 173.81 2ker s VAL 31 N 2.57 2.76 0.08 3.43 -7.23 0.15 0.79 120.40 122.94 2ker s VAL 31 Ca 0.29 -2.19 -0.04 0.00 -1.81 0.00 0.00 61.98 58.23 2ker s VAL 31 Cb -0.15 -2.56 -0.02 0.00 0.56 0.00 0.00 36.38 34.20 2ker s VAL 31 CO 0.08 -0.35 0.08 0.28 -0.31 0.00 0.00 175.10 174.89 2ker s THR 32 N -2.47 0.17 0.03 5.32 -1.32 0.24 0.91 115.64 118.51 2ker s THR 32 Ca 0.31 -1.55 0.03 0.00 -1.21 0.00 0.00 61.69 59.27 2ker s THR 32 Cb -0.04 -1.53 -0.02 0.00 -1.51 0.00 0.00 72.50 69.41 2ker s THR 32 CO 0.17 -0.77 -0.10 0.68 -2.21 0.00 0.00 174.62 172.40 2ker s VAL 33 N -3.91 0.73 -0.30 5.08 -7.23 -1.26 0.76 120.40 114.27 2ker s VAL 33 Ca 0.09 -0.79 -0.02 0.00 -1.81 0.00 0.00 61.98 59.44 2ker s VAL 33 Cb 0.06 -0.69 0.05 0.00 0.56 0.00 0.00 36.38 36.36 2ker s VAL 33 CO -0.09 -0.08 0.01 -0.70 -0.31 0.00 0.00 175.10 173.94 2ker s GLU 34 N -0.96 2.48 0.45 4.82 2.12 0.10 -4.31 118.70 123.41 2ker s GLU 34 Ca -0.02 -1.23 -0.02 0.00 0.36 0.00 0.00 54.97 54.05 2ker s GLU 34 Cb -0.07 -3.20 -0.02 0.00 0.26 0.00 0.00 34.13 31.10 2ker s GLU 34 CO 0.01 -0.61 0.71 0.71 -0.54 0.00 0.00 175.26 175.54 2ker s TYR 35 N 1.28 3.41 0.35 5.30 1.51 -1.26 -0.22 117.35 127.71 2ker s TYR 35 Ca -0.05 0.51 0.13 0.00 -1.01 0.00 0.00 57.07 56.65 2ker s TYR 35 Cb -0.20 -2.26 0.96 0.00 -0.11 0.00 0.00 41.96 40.35 2ker s TYR 35 CO -0.01 -0.27 1.75 1.15 -1.11 0.00 0.00 175.55 177.05 2ker h THR 36 N 0.35 0.54 0.00 -0.71 2.02 -0.75 -3.35 112.91 111.00 2ker h THR 36 Ca -0.47 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 66.53 2ker h THR 36 Cb 1.23 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.61 2ker h THR 36 CO 0.60 0.09 0.00 1.41 0.37 0.00 0.00 175.52 178.00 2ker n HIS 37 N -4.78 0.00 0.00 3.16 8.25 -1.26 -4.95 115.22 115.63 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 0.79 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.90 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 2.19 0.00 3.76 -1.41 0.00 -1.26 -5.14 105.19 103.33 2ker n GLY 38 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 4.21 -0.64 1.61 -0.44 -1.26 -4.88 119.66 118.26 2ker s GLN 39 Ca 0.00 2.42 -0.27 0.00 -2.50 0.00 0.00 55.36 55.01 2ker s GLN 39 Cb 0.00 -3.05 -0.01 0.00 -1.64 0.00 0.00 33.01 28.31 2ker s GLN 39 CO 0.00 -0.46 1.68 -0.46 0.50 0.00 0.00 175.29 176.55 2ker s TRP 40 N -0.40 1.86 0.00 1.67 -0.11 -1.26 -4.48 118.94 116.22 2ker s TRP 40 Ca 0.57 0.55 0.00 0.00 1.22 0.00 0.00 56.10 58.44 2ker s TRP 40 Cb -0.44 -4.25 0.00 0.00 -1.50 0.00 0.00 33.47 27.28 2ker s TRP 40 CO 0.50 -2.24 0.30 0.00 -4.62 0.00 0.00 176.95 170.88 2ker n ALA 41 N 11.65 1.19 -1.73 5.86 0.00 -1.26 -5.06 120.51 131.17 2ker n ALA 41 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.22 2ker n ALA 41 Cb 0.51 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.94 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 4.06 0.00 0.00 -0.05 -1.26 -4.35 135.00 133.39 2ker n PRO 42 Ca 0.00 -2.93 0.00 0.00 -0.05 0.00 0.00 63.50 60.52 2ker n PRO 42 Cb 0.30 -2.60 0.00 0.00 -0.05 0.00 0.00 33.50 31.15 2ker n PRO 42 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 2ker s ARG 44 N 0.00 0.60 0.05 0.00 1.81 0.26 -4.30 118.95 117.37 2ker s ARG 44 Ca 0.00 1.13 -0.26 0.00 -1.72 0.00 0.00 55.73 54.88 2ker s ARG 44 Cb 0.00 0.17 -0.05 0.00 -0.45 0.00 0.00 34.95 34.62 2ker s ARG 44 CO 0.00 -0.16 0.80 0.54 -0.68 0.00 0.00 175.30 175.80 2ker s VAL 45 N 1.73 4.70 0.15 3.52 0.11 -1.26 0.29 120.40 129.64 2ker s VAL 45 Ca -0.09 1.71 -0.06 0.00 -2.93 0.00 0.00 61.98 60.60 2ker s VAL 45 Cb -0.07 -4.15 -0.06 0.00 -1.53 0.00 0.00 36.38 30.57 2ker s VAL 45 CO -0.18 0.35 0.40 -0.51 -3.33 0.00 0.00 175.10 171.84 2ker s ILE 46 N -0.01 5.12 0.24 7.04 1.10 0.21 -4.92 121.20 129.99 2ker s ILE 46 Ca 0.40 0.15 -0.16 0.00 -0.51 0.00 0.00 60.65 60.53 2ker s ILE 46 Cb -0.21 -3.62 -0.08 0.00 0.15 0.00 0.00 42.46 38.70 2ker s ILE 46 CO 0.24 0.06 0.69 -1.61 -2.11 0.00 0.00 174.94 172.20 2ker s GLU 47 N -2.57 4.09 -0.93 3.50 2.02 -1.26 -2.43 118.70 121.12 2ker s GLU 47 Ca 0.41 0.70 -0.27 0.00 0.02 0.00 0.00 54.97 55.83 2ker s GLU 47 Cb -0.12 -2.73 -0.22 0.00 0.10 0.00 0.00 34.13 31.16 2ker s GLU 47 CO 0.23 0.33 2.57 -2.30 0.02 0.00 0.00 175.26 176.11 2ker n PRO 48 N 0.33 0.15 -0.54 0.39 -0.02 -1.25 0.68 135.00 134.73 2ker n PRO 48 Ca -0.01 -0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 2ker n PRO 48 Cb 0.52 -1.74 0.00 0.00 -0.02 0.00 0.00 33.50 32.26 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 6.29 0.72 2.74 -1.23 0.00 -1.15 -4.86 105.19 107.70 2ker n GLY 49 Ca 0.62 -0.09 -0.15 0.00 0.00 0.00 0.00 46.02 46.40 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 -2.54 1.13 3.66 -0.02 0.00 0.21 -4.57 105.19 103.07 2ker n GLY 50 Ca 0.00 -2.08 -0.25 0.00 0.00 0.00 0.00 46.02 43.69 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 -1.90 2.56 -0.11 1.61 0.52 -1.24 -1.38 118.94 119.00 2ker s TRP 51 Ca 0.45 -0.50 -0.04 0.00 0.02 0.00 0.00 56.10 56.03 2ker s TRP 51 Cb -0.03 -1.64 0.05 0.00 -1.15 0.00 0.00 33.47 30.70 2ker s TRP 51 CO 0.30 0.40 0.17 0.00 0.02 0.00 0.00 176.95 177.84 2ker s ALA 52 N -2.56 -0.17 -0.06 0.98 0.00 -0.94 -4.75 121.76 114.26 2ker s ALA 52 Ca 0.36 0.50 -0.24 0.00 0.00 0.00 0.00 51.96 52.58 2ker s ALA 52 Cb 0.02 -0.90 -0.03 0.00 0.00 0.00 0.00 23.12 22.20 2ker s ALA 52 CO 0.20 -0.68 0.74 0.99 0.00 0.00 0.00 175.76 177.01 2ker s THR 53 N 2.30 5.02 0.04 0.00 2.01 -1.26 -2.99 115.64 120.76 2ker s THR 53 Ca 0.03 1.52 0.02 0.00 0.31 0.00 0.00 61.69 63.57 2ker s THR 53 Cb -0.13 -4.08 -0.03 0.00 0.01 0.00 0.00 72.50 68.28 2ker s THR 53 CO -0.07 0.23 -0.07 -0.36 -0.69 0.00 0.00 174.62 173.67 2ker s PHE 54 N 0.88 0.61 -0.58 4.92 0.08 -1.07 -4.95 117.98 117.88 2ker s PHE 54 Ca 0.39 -0.57 -0.26 0.00 0.12 0.00 0.00 56.93 56.62 2ker s PHE 54 Cb -0.18 -0.37 -0.06 0.00 -0.57 0.00 0.00 43.02 41.84 2ker s PHE 54 CO 0.19 -0.12 2.20 0.00 -0.10 0.00 0.00 175.22 177.39 2ker s ALA 55 N -1.71 1.73 1.25 5.36 0.00 -1.26 -0.51 121.76 126.62 2ker s ALA 55 Ca -0.08 -0.37 -0.20 0.00 0.00 0.00 0.00 51.96 51.31 2ker s ALA 55 Cb -0.08 -4.37 0.31 0.00 0.00 0.00 0.00 23.12 18.98 2ker s ALA 55 CO -0.01 -4.43 1.08 0.20 0.00 0.00 0.00 175.76 172.60 2ker s GLY 56 N 10.48 1.56 -0.18 0.00 0.00 -1.24 -4.30 107.32 113.64 2ker s GLY 56 Ca 0.85 -0.97 -0.02 0.00 0.00 0.00 0.00 44.72 44.58 2ker s GLY 56 CO 0.21 -0.04 2.46 1.58 0.00 0.00 0.00 173.10 177.31 2ker n TYR 57 N -4.94 0.75 -2.27 1.90 4.11 -1.13 -4.58 117.16 111.00 2ker n TYR 57 Ca 0.14 -1.56 -0.43 0.00 -0.00 0.00 0.00 57.90 56.04 2ker n TYR 57 Cb 0.60 -1.01 -0.02 0.00 -0.00 0.00 0.00 39.34 38.90 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 1.15 1.25 -0.47 -7.48 0.00 -1.26 -2.63 107.32 97.87 2ker s GLY 58 Ca 0.33 0.22 0.00 0.00 0.00 0.00 0.00 44.72 45.28 2ker s GLY 58 CO -0.04 2.81 0.00 2.41 0.00 0.00 0.00 173.10 178.28 2ker n THR 59 N 6.46 -0.20 -2.42 0.90 -1.04 -1.26 -4.39 114.28 112.34 2ker n THR 59 Ca 0.17 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 62.13 2ker n THR 59 Cb 0.46 -1.07 0.01 0.00 -1.82 0.00 0.00 70.33 67.91 2ker n THR 59 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2ker n ASP 60 N 1.03 -6.16 0.00 8.00 -0.08 -1.08 -5.05 116.55 113.20 2ker n ASP 60 Ca -0.06 0.49 0.00 0.00 -1.51 0.00 0.00 54.79 53.71 2ker n ASP 60 Cb 0.47 -4.06 0.00 0.00 2.34 0.00 0.00 41.12 39.87 2ker n ASP 60 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2ker n GLY 61 N -0.20 3.33 3.78 0.27 0.00 -1.26 -5.11 105.19 105.99 2ker n GLY 61 Ca 0.07 -0.32 -0.39 0.00 0.00 0.00 0.00 46.02 45.38 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 1.24 7.37 -0.21 1.61 0.01 -1.26 -4.73 114.94 118.96 2ker s ASN 62 Ca 0.00 1.62 0.00 0.00 -0.71 0.00 0.00 52.86 53.77 2ker s ASN 62 Cb 0.00 -2.49 0.05 0.00 0.41 0.00 0.00 41.25 39.22 2ker s ASN 62 CO 0.00 0.20 -0.05 -0.47 -1.51 0.00 0.00 177.10 175.27 2ker s TYR 63 N -1.09 2.08 0.19 2.20 5.04 -1.26 -2.86 117.35 121.66 2ker s TYR 63 Ca 0.36 -1.47 -0.32 0.00 -2.44 0.00 0.00 57.07 53.19 2ker s TYR 63 Cb -0.23 -1.46 -0.12 0.00 0.35 0.00 0.00 41.96 40.50 2ker s TYR 63 CO 0.26 -0.71 1.75 1.33 -1.34 0.00 0.00 175.55 176.83 2ker n VAL 64 N 4.76 0.08 -0.01 3.14 0.24 -1.26 0.01 118.33 125.29 2ker n VAL 64 Ca -0.12 -0.02 -0.01 0.00 -2.04 0.00 0.00 64.34 62.15 2ker n VAL 64 Cb 0.46 -2.01 -0.01 0.00 -1.47 0.00 0.00 33.84 30.80 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 4.13 0.14 -3.92 3.34 -2.24 0.69 -4.90 114.28 111.52 2ker n THR 65 Ca 0.16 -0.07 -0.17 0.00 -2.27 0.00 0.00 64.05 61.70 2ker n THR 65 Cb 0.35 -0.79 -0.16 0.00 -2.10 0.00 0.00 70.33 67.63 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 -3.67 0.24 0.34 3.38 0.00 -1.14 -5.00 107.32 101.46 2ker s GLY 66 Ca -0.02 0.17 -0.18 0.00 0.00 0.00 0.00 44.72 44.69 2ker s GLY 66 CO 0.07 0.61 0.80 1.08 0.00 0.00 0.00 173.10 175.66 2ker s LEU 67 N 1.03 4.09 0.04 0.66 1.43 -1.26 0.03 118.68 124.69 2ker s LEU 67 Ca -0.10 1.44 0.03 0.00 -1.03 0.00 0.00 54.13 54.48 2ker s LEU 67 Cb -0.13 -4.13 -0.02 0.00 0.03 0.00 0.00 46.19 41.94 2ker s LEU 67 CO -0.02 -0.20 -0.09 -1.00 0.23 0.00 0.00 176.35 175.26 2ker s HIS 68 N -1.95 0.81 -0.02 0.29 3.76 0.23 -4.23 115.29 114.18 2ker s HIS 68 Ca 0.54 -0.39 -0.28 0.00 -0.15 0.00 0.00 55.06 54.78 2ker s HIS 68 Cb -0.11 -0.48 -0.03 0.00 1.11 0.00 0.00 32.58 33.06 2ker s HIS 68 CO 0.17 -0.03 0.88 0.99 -0.85 0.00 0.00 174.74 175.90 2ker s THR 69 N -1.04 4.93 0.31 1.30 2.01 -1.23 0.80 115.64 122.72 2ker s THR 69 Ca -0.05 1.83 0.02 0.00 0.31 0.00 0.00 61.69 63.80 2ker s THR 69 Cb -0.08 -4.22 -0.03 0.00 0.01 0.00 0.00 72.50 68.18 2ker s THR 69 CO 0.01 0.20 0.49 0.00 -0.69 0.00 0.00 174.62 174.62 2ker s ASP 71 N -3.98 3.86 0.00 0.00 -4.77 -1.26 -4.34 116.67 106.18 2ker s ASP 71 Ca 0.38 -0.45 0.00 0.00 -3.30 0.00 0.00 52.55 49.18 2ker s ASP 71 Cb -0.09 -0.61 0.00 0.00 -1.09 0.00 0.00 42.92 41.12 2ker s ASP 71 CO 0.34 0.23 0.11 -2.65 0.70 0.00 0.00 175.17 173.90 2ker n PRO 72 N 1.33 0.00 -2.75 2.11 -0.01 -1.26 -4.67 135.00 129.75 2ker n PRO 72 Ca -0.16 0.00 -0.03 0.00 -0.01 0.00 0.00 63.50 63.31 2ker n PRO 72 Cb 0.52 -0.12 0.02 0.00 -0.01 0.00 0.00 33.50 33.91 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 0.07 -3.55 -0.23 3.55 0.00 -1.26 -5.13 121.76 115.20 2ker s ALA 73 Ca 0.00 0.31 -0.25 0.00 0.00 0.00 0.00 51.96 52.02 2ker s ALA 73 Cb 0.00 -2.88 -0.00 0.00 0.00 0.00 0.00 23.12 20.23 2ker s ALA 73 CO 0.00 -2.41 0.85 -0.08 0.00 0.00 0.00 175.76 174.12 2ker s THR 74 N 1.12 4.83 0.52 0.00 -1.32 -1.26 -4.82 115.64 114.71 2ker s THR 74 Ca 0.24 1.62 -0.22 0.00 -1.21 0.00 0.00 61.69 62.12 2ker s THR 74 Cb 0.06 -4.14 -0.06 0.00 -1.51 0.00 0.00 72.50 66.86 2ker s THR 74 CO -0.09 -0.07 1.30 -2.16 -2.21 0.00 0.00 174.62 171.38 2ker s PRO 75 N 2.81 3.31 -0.29 7.08 0.04 -1.26 -5.02 135.00 141.67 2ker s PRO 75 Ca 0.36 2.09 0.03 0.00 0.04 0.00 0.00 61.00 63.52 2ker s PRO 75 Cb -0.15 -2.29 0.17 0.00 0.04 0.00 0.00 34.50 32.26 2ker s PRO 75 CO 0.08 -1.01 0.45 0.45 0.04 0.00 0.00 177.00 177.01 2ker s SER 76 N -1.09 -0.03 0.04 6.66 0.15 -1.26 -5.04 113.70 113.13 2ker s SER 76 Ca 0.69 -0.24 -0.33 0.00 0.70 0.00 0.00 55.95 56.78 2ker s SER 76 Cb -0.37 1.30 -0.18 0.00 -1.71 0.00 0.00 66.02 65.06 2ker s SER 76 CO 0.44 -0.34 1.40 1.23 1.20 0.00 0.00 173.24 177.16 2ker h GLY 77 N 8.13 -1.22 0.00 9.45 0.00 -2.03 -3.57 103.07 113.82 2ker h GLY 77 Ca -0.08 0.45 0.00 0.00 0.00 0.00 0.00 47.33 47.71 2ker h GLY 77 CO 0.24 -0.45 0.00 3.33 0.00 0.00 0.00 176.54 179.67