#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ker h THR 2 N 0.00 1.35 -3.09 0.00 2.02 -2.09 -3.43 112.91 107.66 2ker h THR 2 Ca 0.00 -1.48 -0.61 0.00 0.77 0.00 0.00 66.41 65.09 2ker h THR 2 Cb 0.00 1.91 -0.08 0.00 -1.74 0.00 0.00 68.15 68.24 2ker h THR 2 CO 0.00 0.44 -0.32 -0.83 0.37 0.00 0.00 175.52 175.18 2ker s GLY 3 N -3.61 2.27 -0.25 2.16 0.00 -1.26 -5.07 107.32 101.56 2ker s GLY 3 Ca -0.13 -0.42 -0.10 0.00 0.00 0.00 0.00 44.72 44.06 2ker s GLY 3 CO 0.79 0.20 0.15 -1.35 0.00 0.00 0.00 173.10 172.89 2ker s SER 4 N -0.23 5.91 -0.60 1.64 1.04 -1.26 -5.06 113.70 115.14 2ker s SER 4 Ca 0.18 0.02 -0.21 0.00 0.48 0.00 0.00 55.95 56.42 2ker s SER 4 Cb -0.14 -2.08 0.07 0.00 0.10 0.00 0.00 66.02 63.98 2ker s SER 4 CO 0.06 0.01 0.82 -2.16 0.98 0.00 0.00 173.24 172.96 2ker s PRO 5 N 1.38 3.12 0.13 4.02 0.04 -1.26 -4.82 135.00 137.60 2ker s PRO 5 Ca 0.07 -0.93 0.00 0.00 0.04 0.00 0.00 61.00 60.18 2ker s PRO 5 Cb -0.15 -4.20 0.00 0.00 0.04 0.00 0.00 34.50 30.20 2ker s PRO 5 CO 0.07 -1.58 0.00 1.55 0.04 0.00 0.00 177.00 177.07 2ker n VAL 6 N 5.78 -3.36 -1.65 -0.36 3.14 -1.24 -4.59 118.33 116.06 2ker n VAL 6 Ca -0.05 1.16 0.00 0.00 -2.96 0.00 0.00 64.34 62.49 2ker n VAL 6 Cb 0.45 -1.75 0.00 0.00 -1.06 0.00 0.00 33.84 31.48 2ker n VAL 6 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2ker n ALA 7 N 0.93 -1.35 0.00 1.55 0.00 -1.26 -4.51 120.51 115.87 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 -0.23 0.00 0.00 0.00 0.00 0.00 19.45 19.22 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 1.04 0.00 0.17 0.00 4.71 -1.26 -0.14 120.64 125.17 2ker n GLU 8 Ca 0.00 0.00 0.08 0.00 -0.01 0.00 0.00 57.16 57.23 2ker n GLU 8 Cb 0.18 -1.44 0.09 0.00 -1.01 0.00 0.00 31.44 29.26 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 -3.12 4.94 -0.04 0.00 -7.23 0.81 -0.54 120.40 115.22 2ker s VAL 10 Ca 0.05 1.07 -0.01 0.00 -1.81 0.00 0.00 61.98 61.28 2ker s VAL 10 Cb 0.06 -3.84 0.03 0.00 0.56 0.00 0.00 36.38 33.19 2ker s VAL 10 CO 0.71 0.49 0.04 -0.70 -0.31 0.00 0.00 175.10 175.33 2ker s GLU 11 N -0.58 0.05 0.49 4.82 2.12 -0.06 -4.91 118.70 120.62 2ker s GLU 11 Ca 0.27 0.26 0.01 0.00 0.36 0.00 0.00 54.97 55.87 2ker s GLU 11 Cb -0.18 -0.47 0.01 0.00 0.26 0.00 0.00 34.13 33.76 2ker s GLU 11 CO 0.15 -0.25 0.70 1.52 -0.54 0.00 0.00 175.26 176.85 2ker s TYR 12 N 1.66 3.06 0.04 5.30 -0.85 -1.24 0.21 117.35 125.55 2ker s TYR 12 Ca -0.01 0.10 -0.02 0.00 -0.52 0.00 0.00 57.07 56.62 2ker s TYR 12 Cb -0.13 -2.48 -0.03 0.00 0.38 0.00 0.00 41.96 39.71 2ker s TYR 12 CO -0.03 -0.55 0.02 0.12 -1.52 0.00 0.00 175.55 173.58 2ker s PHE 13 N -2.62 0.36 -0.33 -3.49 5.36 -0.23 -4.90 117.98 112.14 2ker s PHE 13 Ca 0.52 -0.78 -0.04 0.00 -0.96 0.00 0.00 56.93 55.67 2ker s PHE 13 Cb -0.10 -0.26 0.05 0.00 -0.34 0.00 0.00 43.02 42.37 2ker s PHE 13 CO 0.38 -0.34 0.07 1.14 -1.46 0.00 0.00 175.22 175.00 2ker s GLN 14 N -3.04 2.50 0.00 10.12 0.00 -1.26 -1.57 119.66 126.41 2ker s GLN 14 Ca -0.01 -1.26 0.00 0.00 -0.00 0.00 0.00 55.36 54.09 2ker s GLN 14 Cb 0.01 -3.35 0.00 0.00 0.00 0.00 0.00 33.01 29.67 2ker s GLN 14 CO -0.07 -0.68 0.00 0.45 0.00 0.00 0.00 175.29 175.00 2ker n SER 15 N 4.72 1.71 -4.56 12.60 2.88 0.91 -4.99 113.62 126.90 2ker n SER 15 Ca -0.12 -0.28 -0.23 0.00 -1.33 0.00 0.00 58.87 56.90 2ker n SER 15 Cb 0.44 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.84 2ker n SER 15 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 2ker s TRP 16 N 0.62 1.36 -1.52 0.66 -2.14 -1.26 -2.85 118.94 113.81 2ker s TRP 16 Ca 0.00 1.43 -0.01 0.00 2.66 0.00 0.00 56.10 60.18 2ker s TRP 16 Cb 0.00 -3.69 0.00 0.00 -3.10 0.00 0.00 33.47 26.68 2ker s TRP 16 CO 0.00 -1.85 0.15 -2.13 -2.66 0.00 0.00 176.95 170.46 2ker n ARG 17 N 8.90 -2.26 -3.51 3.25 0.63 -1.26 -4.96 116.66 117.45 2ker n ARG 17 Ca 0.41 0.87 -0.21 0.00 -0.92 0.00 0.00 57.85 58.00 2ker n ARG 17 Cb 0.47 -5.43 -0.13 0.00 0.45 0.00 0.00 32.46 27.82 2ker n ARG 17 CO 0.00 0.00 0.00 -0.47 -2.51 0.00 0.00 177.63 174.65 2ker s TYR 18 N -2.97 -0.15 -0.70 -0.14 6.14 -1.13 -3.66 117.35 114.74 2ker s TYR 18 Ca 0.07 -0.06 -0.16 0.00 0.64 0.00 0.00 57.07 57.56 2ker s TYR 18 Cb -0.03 -0.50 0.16 0.00 0.42 0.00 0.00 41.96 42.01 2ker s TYR 18 CO 0.09 -0.66 0.71 0.99 0.64 0.00 0.00 175.55 177.32 2ker s THR 19 N 2.27 5.22 -0.49 4.34 2.01 0.41 -0.06 115.64 129.34 2ker s THR 19 Ca 0.07 -1.75 -0.26 0.00 0.31 0.00 0.00 61.69 60.06 2ker s THR 19 Cb -0.16 -4.47 0.03 0.00 0.01 0.00 0.00 72.50 67.92 2ker s THR 19 CO -0.17 -1.05 0.96 1.51 -0.69 0.00 0.00 174.62 175.17 2ker s ASP 20 N 3.08 6.47 -0.46 3.53 -4.77 -0.61 -2.42 116.67 121.49 2ker s ASP 20 Ca 0.13 0.04 -0.16 0.00 -3.30 0.00 0.00 52.55 49.26 2ker s ASP 20 Cb -0.19 -2.46 0.06 0.00 -1.09 0.00 0.00 42.92 39.24 2ker s ASP 20 CO -0.02 -1.13 0.39 0.54 0.70 0.00 0.00 175.17 175.65 2ker s VAL 21 N 3.91 5.22 -0.39 2.11 0.11 -1.16 -1.06 120.40 129.13 2ker s VAL 21 Ca 0.37 -0.92 -0.16 0.00 -2.93 0.00 0.00 61.98 58.33 2ker s VAL 21 Cb -0.10 -4.09 0.01 0.00 -1.53 0.00 0.00 36.38 30.67 2ker s VAL 21 CO 0.25 -0.53 0.40 -1.38 -3.33 0.00 0.00 175.10 170.51 2ker s HIS 22 N 1.72 3.19 0.53 1.54 -3.43 0.13 -2.04 115.29 116.93 2ker s HIS 22 Ca 0.05 -0.26 -0.11 0.00 -0.80 0.00 0.00 55.06 53.93 2ker s HIS 22 Cb -0.23 -2.79 -0.05 0.00 -1.43 0.00 0.00 32.58 28.08 2ker s HIS 22 CO 0.08 -0.59 0.93 1.21 -2.00 0.00 0.00 174.74 174.37 2ker s ASN 23 N 1.77 6.39 -0.13 7.38 3.84 -0.55 -0.88 114.94 132.76 2ker s ASN 23 Ca 0.11 1.33 0.17 0.00 0.21 0.00 0.00 52.86 54.68 2ker s ASN 23 Cb -0.17 -2.42 0.35 0.00 -0.55 0.00 0.00 41.25 38.46 2ker s ASN 23 CO 0.13 -0.66 1.19 0.61 -2.79 0.00 0.00 177.10 175.57 2ker n GLY 24 N -2.10 1.30 0.13 1.21 0.00 0.30 -2.58 105.19 103.45 2ker n GLY 24 Ca 0.05 -0.58 0.12 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.00 0.00 -2.45 0.00 0.00 -1.26 -5.00 120.51 109.80 2ker n ALA 26 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.23 2ker n ALA 26 Cb 0.50 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.83 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 -2.68 2.97 0.01 0.00 -4.77 -1.26 -4.69 116.67 106.24 2ker s ASP 27 Ca 0.00 -0.85 -0.30 0.00 -3.30 0.00 0.00 52.55 48.10 2ker s ASP 27 Cb 0.00 -0.19 -0.06 0.00 -1.09 0.00 0.00 42.92 41.57 2ker s ASP 27 CO 0.00 0.03 1.54 0.00 0.70 0.00 0.00 175.17 177.45 2ker s ALA 28 N -1.83 3.63 -0.02 2.11 0.00 -1.26 -4.21 121.76 120.18 2ker s ALA 28 Ca 0.17 0.99 0.05 0.00 0.00 0.00 0.00 51.96 53.18 2ker s ALA 28 Cb -0.07 -3.67 -0.01 0.00 0.00 0.00 0.00 23.12 19.37 2ker s ALA 28 CO 0.08 -1.10 -0.18 0.14 0.00 0.00 0.00 175.76 174.69 2ker s VAL 29 N 2.90 1.45 -0.29 0.00 -7.23 -1.02 -4.85 120.40 111.37 2ker s VAL 29 Ca 0.69 -0.77 -0.21 0.00 -1.81 0.00 0.00 61.98 59.87 2ker s VAL 29 Cb -0.34 -1.21 -0.01 0.00 0.56 0.00 0.00 36.38 35.38 2ker s VAL 29 CO 0.29 0.41 0.69 -0.44 -0.31 0.00 0.00 175.10 175.73 2ker s SER 30 N -0.35 6.59 0.35 4.85 0.01 -1.26 0.92 113.70 124.81 2ker s SER 30 Ca 0.05 0.61 0.09 0.00 1.31 0.00 0.00 55.95 58.01 2ker s SER 30 Cb -0.08 -2.36 -0.05 0.00 0.21 0.00 0.00 66.02 63.74 2ker s SER 30 CO -0.00 -0.49 0.06 0.68 0.41 0.00 0.00 173.24 173.90 2ker s VAL 31 N 2.69 2.70 0.11 3.43 -7.23 0.14 0.12 120.40 122.36 2ker s VAL 31 Ca 0.28 -1.88 -0.10 0.00 -1.81 0.00 0.00 61.98 58.47 2ker s VAL 31 Cb -0.15 -2.86 0.00 0.00 0.56 0.00 0.00 36.38 33.93 2ker s VAL 31 CO 0.11 -0.18 0.25 0.28 -0.31 0.00 0.00 175.10 175.25 2ker s THR 32 N -2.50 0.11 -0.00 5.32 -1.32 0.19 0.82 115.64 118.25 2ker s THR 32 Ca 0.36 -1.10 0.01 0.00 -1.21 0.00 0.00 61.69 59.75 2ker s THR 32 Cb -0.00 -1.42 -0.00 0.00 -1.51 0.00 0.00 72.50 69.57 2ker s THR 32 CO 0.20 -0.51 -0.05 0.68 -2.21 0.00 0.00 174.62 172.74 2ker s VAL 33 N -3.87 0.36 -0.29 5.08 -7.23 -1.26 0.67 120.40 113.86 2ker s VAL 33 Ca 0.07 -0.19 -0.07 0.00 -1.81 0.00 0.00 61.98 59.97 2ker s VAL 33 Cb 0.04 -0.31 -0.00 0.00 0.56 0.00 0.00 36.38 36.67 2ker s VAL 33 CO -0.09 0.10 0.09 -0.70 -0.31 0.00 0.00 175.10 174.19 2ker s GLU 34 N -0.10 3.29 0.45 4.82 2.12 0.15 -4.10 118.70 125.33 2ker s GLU 34 Ca 0.02 -0.73 -0.02 0.00 0.36 0.00 0.00 54.97 54.60 2ker s GLU 34 Cb -0.02 -3.39 -0.02 0.00 0.26 0.00 0.00 34.13 30.96 2ker s GLU 34 CO -0.00 -0.37 0.70 0.71 -0.54 0.00 0.00 175.26 175.75 2ker s TYR 35 N 1.55 3.37 0.65 5.30 1.51 -1.26 0.15 117.35 128.62 2ker s TYR 35 Ca 0.04 0.45 0.32 0.00 -1.01 0.00 0.00 57.07 56.86 2ker s TYR 35 Cb -0.17 -2.26 1.72 0.00 -0.11 0.00 0.00 41.96 41.15 2ker s TYR 35 CO 0.03 -0.28 2.00 1.15 -1.11 0.00 0.00 175.55 177.34 2ker h THR 36 N 0.37 0.10 0.00 -0.71 2.02 -0.52 -3.38 112.91 110.79 2ker h THR 36 Ca -0.47 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.71 2ker h THR 36 Cb 1.23 0.72 0.00 0.00 -1.74 0.00 0.00 68.15 68.37 2ker h THR 36 CO 0.60 0.00 0.00 1.41 0.37 0.00 0.00 175.52 177.90 2ker n HIS 37 N -3.12 0.00 0.00 3.16 8.25 -1.26 -4.93 115.22 117.33 2ker n HIS 37 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2ker n HIS 37 Cb 0.37 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.48 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 4.48 -0.48 3.77 -1.41 0.00 -1.26 -5.13 105.19 105.15 2ker n GLY 38 Ca 0.00 0.16 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 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 4.10 -0.11 1.61 -1.52 -1.26 -4.95 119.66 117.53 2ker s GLN 39 Ca 0.00 2.21 -0.29 0.00 -1.95 0.00 0.00 55.36 55.33 2ker s GLN 39 Cb 0.00 -2.87 -0.03 0.00 -0.22 0.00 0.00 33.01 29.89 2ker s GLN 39 CO 0.00 -0.40 1.39 -0.46 -0.25 0.00 0.00 175.29 175.57 2ker s TRP 40 N -1.21 2.60 0.00 0.91 -0.00 -1.26 -4.48 118.94 115.49 2ker s TRP 40 Ca 0.54 0.75 0.00 0.00 -0.00 0.00 0.00 56.10 57.39 2ker s TRP 40 Cb -0.39 -3.64 0.00 0.00 -0.00 0.00 0.00 33.47 29.44 2ker s TRP 40 CO 0.51 -2.41 0.00 0.00 -0.00 0.00 0.00 176.95 175.06 2ker n ALA 41 N 6.59 0.00 -0.90 5.86 0.00 -1.26 -5.07 120.51 125.72 2ker n ALA 41 Ca 0.15 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.50 2ker n ALA 41 Cb 0.44 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.87 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 -0.87 0.00 0.00 0.00 -0.04 -1.26 -4.50 135.00 128.34 2ker n PRO 42 Ca 0.00 -0.21 0.00 0.00 -0.04 0.00 0.00 63.50 63.25 2ker n PRO 42 Cb 0.00 -1.31 0.00 0.00 -0.04 0.00 0.00 33.50 32.15 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 0.29 -0.02 0.00 1.81 0.24 -4.48 118.95 116.79 2ker s ARG 44 Ca 0.00 0.94 -0.30 0.00 -1.72 0.00 0.00 55.73 54.65 2ker s ARG 44 Cb 0.00 0.19 -0.03 0.00 -0.45 0.00 0.00 34.95 34.66 2ker s ARG 44 CO 0.00 -0.29 1.05 0.54 -0.68 0.00 0.00 175.30 175.91 2ker s VAL 45 N 2.57 4.65 0.13 3.52 0.11 -1.26 0.23 120.40 130.35 2ker s VAL 45 Ca 0.00 1.91 -0.14 0.00 -2.93 0.00 0.00 61.98 60.82 2ker s VAL 45 Cb -0.12 -4.22 -0.07 0.00 -1.53 0.00 0.00 36.38 30.44 2ker s VAL 45 CO -0.12 0.10 0.53 -0.51 -3.33 0.00 0.00 175.10 171.77 2ker s ILE 46 N 1.37 4.88 0.18 7.04 1.10 0.26 -4.88 121.20 131.15 2ker s ILE 46 Ca 0.53 0.81 -0.23 0.00 -0.51 0.00 0.00 60.65 61.25 2ker s ILE 46 Cb -0.22 -3.73 -0.08 0.00 0.15 0.00 0.00 42.46 38.58 2ker s ILE 46 CO 0.25 0.27 0.74 -1.61 -2.11 0.00 0.00 174.94 172.48 2ker s GLU 47 N -1.90 4.42 -0.94 3.50 2.02 -1.26 -2.43 118.70 122.10 2ker s GLU 47 Ca 0.37 1.01 -0.22 0.00 0.02 0.00 0.00 54.97 56.15 2ker s GLU 47 Cb -0.15 -3.12 -0.25 0.00 0.10 0.00 0.00 34.13 30.72 2ker s GLU 47 CO 0.19 0.51 2.45 -2.30 0.02 0.00 0.00 175.26 176.13 2ker n PRO 48 N 1.29 0.13 -0.36 0.39 -0.02 -1.26 0.94 135.00 136.11 2ker n PRO 48 Ca -0.05 -0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.37 2ker n PRO 48 Cb 0.50 -1.64 0.00 0.00 -0.02 0.00 0.00 33.50 32.33 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 6.10 0.80 0.16 -1.23 0.00 -1.07 -4.85 105.19 105.11 2ker n GLY 49 Ca 0.63 -0.15 -0.01 0.00 0.00 0.00 0.00 46.02 46.49 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 -2.36 1.47 3.54 -0.02 0.00 0.27 -4.66 105.19 103.42 2ker n GLY 50 Ca 0.00 -2.07 -0.25 0.00 0.00 0.00 0.00 46.02 43.70 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 0.56 2.33 -0.19 1.61 0.52 -1.25 -1.48 118.94 121.03 2ker s TRP 51 Ca 0.03 -0.60 -0.04 0.00 0.02 0.00 0.00 56.10 55.50 2ker s TRP 51 Cb -0.00 -1.43 0.08 0.00 -1.15 0.00 0.00 33.47 30.97 2ker s TRP 51 CO 0.02 0.47 0.16 0.00 0.02 0.00 0.00 176.95 177.61 2ker s ALA 52 N -2.74 0.06 0.01 0.98 0.00 -0.87 -4.77 121.76 114.44 2ker s ALA 52 Ca 0.33 -0.04 -0.30 0.00 0.00 0.00 0.00 51.96 51.95 2ker s ALA 52 Cb 0.05 -1.19 -0.03 0.00 0.00 0.00 0.00 23.12 21.94 2ker s ALA 52 CO 0.16 -1.21 1.02 0.99 0.00 0.00 0.00 175.76 176.73 2ker s THR 53 N 2.24 4.71 0.04 0.00 2.01 -1.26 -2.96 115.64 120.41 2ker s THR 53 Ca 0.05 1.94 0.02 0.00 0.31 0.00 0.00 61.69 64.01 2ker s THR 53 Cb -0.16 -4.25 -0.02 0.00 0.01 0.00 0.00 72.50 68.08 2ker s THR 53 CO -0.11 0.14 -0.07 -0.36 -0.69 0.00 0.00 174.62 173.53 2ker s PHE 54 N 1.07 0.61 -0.61 4.92 0.08 -1.02 -4.94 117.98 118.10 2ker s PHE 54 Ca 0.53 -0.50 -0.26 0.00 0.12 0.00 0.00 56.93 56.82 2ker s PHE 54 Cb -0.22 -0.37 -0.07 0.00 -0.57 0.00 0.00 43.02 41.78 2ker s PHE 54 CO 0.28 -0.10 2.26 0.00 -0.10 0.00 0.00 175.22 177.56 2ker s ALA 55 N -1.38 1.56 1.27 5.36 0.00 -1.26 -0.44 121.76 126.86 2ker s ALA 55 Ca -0.11 -0.40 -0.19 0.00 0.00 0.00 0.00 51.96 51.26 2ker s ALA 55 Cb -0.10 -4.40 0.28 0.00 0.00 0.00 0.00 23.12 18.90 2ker s ALA 55 CO 0.00 -4.67 0.90 0.41 0.00 0.00 0.00 175.76 172.40 2ker n GLY 56 N 6.17 -3.06 3.56 0.00 0.00 -1.24 -4.19 105.19 106.42 2ker n GLY 56 Ca 0.36 -1.43 -0.41 0.00 0.00 0.00 0.00 46.02 44.54 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 -2.51 2.53 0.00 1.61 1.13 -1.19 -3.55 117.35 115.37 2ker s TYR 57 Ca 0.61 -0.86 0.00 0.00 -1.41 0.00 0.00 57.07 55.41 2ker s TYR 57 Cb -0.07 -4.68 0.00 0.00 -1.10 0.00 0.00 41.96 36.11 2ker s TYR 57 CO 0.48 -1.92 0.00 0.41 -2.51 0.00 0.00 175.55 172.01 2ker n GLY 58 N 6.74 0.00 3.28 5.49 0.00 -1.25 -4.66 105.19 114.79 2ker n GLY 58 Ca 0.35 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.05 2ker n GLY 58 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2ker s THR 59 N -0.02 2.29 -0.12 2.61 -1.32 -1.23 -4.67 115.64 113.17 2ker s THR 59 Ca 0.00 -0.96 0.00 0.00 -1.21 0.00 0.00 61.69 59.52 2ker s THR 59 Cb 0.00 -1.87 0.00 0.00 -1.51 0.00 0.00 72.50 69.12 2ker s THR 59 CO 0.00 0.56 0.00 0.47 -2.21 0.00 0.00 174.62 173.44 2ker n ASP 60 N 3.18 -5.60 -0.02 8.08 8.00 -1.26 -1.61 116.55 127.32 2ker n ASP 60 Ca -0.18 0.03 -0.00 0.00 0.71 0.00 0.00 54.79 55.35 2ker n ASP 60 Cb 0.52 -3.20 -0.00 0.00 -0.02 0.00 0.00 41.12 38.42 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 0.43 0.24 3.74 0.44 0.00 -1.26 -4.97 105.19 103.80 2ker n GLY 61 Ca -0.01 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.02 7.55 -0.14 1.61 0.02 -0.63 -4.74 114.94 116.58 2ker s ASN 62 Ca 0.00 1.90 -0.01 0.00 -1.02 0.00 0.00 52.86 53.73 2ker s ASN 62 Cb 0.00 -2.60 0.04 0.00 0.02 0.00 0.00 41.25 38.71 2ker s ASN 62 CO 0.00 0.04 -0.04 -0.47 0.02 0.00 0.00 177.10 176.65 2ker s TYR 63 N -0.64 1.40 0.21 2.20 5.04 -1.26 -3.14 117.35 121.16 2ker s TYR 63 Ca 0.44 -0.84 -0.32 0.00 -2.44 0.00 0.00 57.07 53.91 2ker s TYR 63 Cb -0.25 -1.18 -0.12 0.00 0.35 0.00 0.00 41.96 40.76 2ker s TYR 63 CO 0.32 -0.55 1.72 1.33 -1.34 0.00 0.00 175.55 177.03 2ker n VAL 64 N 4.96 0.03 0.00 3.14 0.24 -1.26 0.25 118.33 125.69 2ker n VAL 64 Ca -0.11 -0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.19 2ker n VAL 64 Cb 0.48 -1.99 0.00 0.00 -1.47 0.00 0.00 33.84 30.86 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 3.93 0.00 -3.73 3.34 -2.24 0.12 -4.89 114.28 110.81 2ker n THR 65 Ca 0.16 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.74 2ker n THR 65 Cb 0.35 -0.77 -0.18 0.00 -2.10 0.00 0.00 70.33 67.64 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 -2.69 0.28 0.29 3.38 0.00 -1.08 -4.97 107.32 102.52 2ker s GLY 66 Ca 0.00 0.11 -0.19 0.00 0.00 0.00 0.00 44.72 44.64 2ker s GLY 66 CO 0.00 1.19 0.78 1.08 0.00 0.00 0.00 173.10 176.15 2ker s LEU 67 N 1.92 4.21 0.06 0.66 1.43 -1.26 0.33 118.68 126.02 2ker s LEU 67 Ca 0.02 1.46 0.01 0.00 -1.03 0.00 0.00 54.13 54.59 2ker s LEU 67 Cb -0.12 -3.91 -0.03 0.00 0.03 0.00 0.00 46.19 42.15 2ker s LEU 67 CO -0.03 -0.10 -0.05 -1.00 0.23 0.00 0.00 176.35 175.39 2ker s HIS 68 N -1.76 0.62 -0.07 0.29 3.76 0.21 -3.69 115.29 114.65 2ker s HIS 68 Ca 0.50 -0.82 -0.27 0.00 -0.15 0.00 0.00 55.06 54.32 2ker s HIS 68 Cb -0.14 -0.40 -0.03 0.00 1.11 0.00 0.00 32.58 33.13 2ker s HIS 68 CO 0.19 -0.22 0.88 0.99 -0.85 0.00 0.00 174.74 175.74 2ker s THR 69 N -2.91 4.90 0.44 1.30 2.01 -1.26 0.54 115.64 120.66 2ker s THR 69 Ca 0.01 1.81 0.08 0.00 0.31 0.00 0.00 61.69 63.90 2ker s THR 69 Cb 0.01 -4.21 0.02 0.00 0.01 0.00 0.00 72.50 68.32 2ker s THR 69 CO -0.05 0.13 0.59 0.00 -0.69 0.00 0.00 174.62 174.60 2ker s ASP 71 N -4.38 1.00 0.00 0.00 -4.77 -1.26 -4.47 116.67 102.79 2ker s ASP 71 Ca 0.56 -0.38 0.00 0.00 -3.30 0.00 0.00 52.55 49.43 2ker s ASP 71 Cb -0.09 -0.04 0.00 0.00 -1.09 0.00 0.00 42.92 41.70 2ker s ASP 71 CO 0.34 -0.05 0.00 -2.65 0.70 0.00 0.00 175.17 173.50 2ker n PRO 72 N 2.06 0.00 -2.81 2.11 -0.01 -1.26 -4.75 135.00 130.34 2ker n PRO 72 Ca -0.18 0.00 -0.02 0.00 -0.01 0.00 0.00 63.50 63.29 2ker n PRO 72 Cb 0.56 0.00 0.01 0.00 -0.01 0.00 0.00 33.50 34.06 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 0.00 -3.20 0.23 3.55 0.00 -1.26 -5.16 121.76 115.92 2ker s ALA 73 Ca 0.00 0.22 -0.25 0.00 0.00 0.00 0.00 51.96 51.93 2ker s ALA 73 Cb 0.00 -2.84 -0.09 0.00 0.00 0.00 0.00 23.12 20.19 2ker s ALA 73 CO 0.00 -2.36 0.83 0.95 0.00 0.00 0.00 175.76 175.18 2ker s THR 74 N 1.21 4.33 0.91 0.00 -4.23 -1.26 -4.86 115.64 111.74 2ker s THR 74 Ca 0.24 1.69 -0.12 0.00 -1.18 0.00 0.00 61.69 62.32 2ker s THR 74 Cb 0.04 -4.07 0.14 0.00 1.34 0.00 0.00 72.50 69.95 2ker s THR 74 CO -0.08 0.35 1.13 -2.16 -0.54 0.00 0.00 174.62 173.31 2ker s PRO 75 N -1.57 1.14 -0.59 3.99 0.04 -1.26 -4.99 135.00 131.76 2ker s PRO 75 Ca 0.42 0.37 -0.24 0.00 0.04 0.00 0.00 61.00 61.59 2ker s PRO 75 Cb -0.21 -1.83 0.05 0.00 0.04 0.00 0.00 34.50 32.55 2ker s PRO 75 CO 0.25 -2.21 0.96 0.45 0.04 0.00 0.00 177.00 176.49 2ker s SER 76 N -3.92 6.28 0.00 6.66 0.15 -1.26 -4.91 113.70 116.70 2ker s SER 76 Ca 0.64 -0.55 0.00 0.00 0.70 0.00 0.00 55.95 56.73 2ker s SER 76 Cb -0.15 -2.44 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 2ker s SER 76 CO 0.54 -1.32 0.00 0.61 1.20 0.00 0.00 173.24 174.27 2ker n GLY 77 N 5.20 -0.66 0.00 9.45 0.00 -1.26 -5.20 105.19 112.72 2ker n GLY 77 Ca 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.32 2ker n GLY 77 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65