#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ker s THR 2 N 0.00 0.00 0.00 0.00 -1.32 -1.26 -5.15 115.64 107.92 2ker s THR 2 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 2ker s THR 2 Cb 0.00 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 2ker s THR 2 CO 0.00 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 2ker n GLY 3 N -0.10 0.22 2.67 6.08 0.00 -1.26 -5.10 105.19 107.70 2ker n GLY 3 Ca -0.11 -1.99 -0.00 0.00 0.00 0.00 0.00 46.02 43.92 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 0.00 -7.82 -4.79 1.61 7.64 -1.26 -4.98 113.62 104.02 2ker n SER 4 Ca 0.00 1.37 -0.39 0.00 1.01 0.00 0.00 58.87 60.86 2ker n SER 4 Cb 0.00 -5.19 -0.06 0.00 -1.01 0.00 0.00 64.21 57.95 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 -1.59 4.46 1.76 1.43 0.04 -1.26 -4.84 135.00 134.99 2ker s PRO 5 Ca 0.00 1.04 0.00 0.00 0.04 0.00 0.00 61.00 62.09 2ker s PRO 5 Cb -0.00 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.32 2ker s PRO 5 CO 0.76 0.57 0.00 1.33 0.04 0.00 0.00 177.00 179.70 2ker n VAL 6 N 1.53 0.00 0.00 -0.36 0.24 -1.13 -1.55 118.33 117.06 2ker n VAL 6 Ca -0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.24 2ker n VAL 6 Cb 0.49 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.86 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 4.39 1.45 0.00 2.33 0.00 -1.26 -4.81 120.51 122.61 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 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.48 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 -0.98 0.00 0.05 0.00 1.02 -0.60 -4.60 120.64 115.53 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 -0.86 0.48 0.00 -0.02 0.00 0.00 31.44 31.04 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 -3.07 5.36 -0.14 0.00 -7.23 -1.26 -0.14 120.40 113.92 2ker s VAL 10 Ca 0.10 0.40 -0.02 0.00 -1.81 0.00 0.00 61.98 60.65 2ker s VAL 10 Cb 0.14 -3.51 0.04 0.00 0.56 0.00 0.00 36.38 33.61 2ker s VAL 10 CO 0.47 0.57 -0.00 -0.70 -0.31 0.00 0.00 175.10 175.12 2ker s GLU 11 N -0.72 0.88 0.42 4.82 2.12 0.45 -4.89 118.70 121.78 2ker s GLU 11 Ca 0.17 -0.27 -0.01 0.00 0.36 0.00 0.00 54.97 55.21 2ker s GLU 11 Cb -0.13 -1.69 -0.02 0.00 0.26 0.00 0.00 34.13 32.54 2ker s GLU 11 CO 0.06 -0.46 0.66 1.52 -0.54 0.00 0.00 175.26 176.50 2ker s TYR 12 N 1.83 3.43 0.00 5.30 -0.85 -1.24 -0.10 117.35 125.73 2ker s TYR 12 Ca 0.02 0.45 -0.02 0.00 -0.52 0.00 0.00 57.07 57.00 2ker s TYR 12 Cb -0.15 -2.17 -0.01 0.00 0.38 0.00 0.00 41.96 40.02 2ker s TYR 12 CO -0.07 -0.17 0.03 0.12 -1.52 0.00 0.00 175.55 173.93 2ker s PHE 13 N -2.53 0.10 -0.16 -3.49 5.36 -0.00 -4.91 117.98 112.34 2ker s PHE 13 Ca 0.45 -0.20 -0.05 0.00 -0.96 0.00 0.00 56.93 56.18 2ker s PHE 13 Cb -0.10 -0.08 -0.03 0.00 -0.34 0.00 0.00 43.02 42.47 2ker s PHE 13 CO 0.39 -0.13 -0.00 -0.65 -1.46 0.00 0.00 175.22 173.37 2ker s GLN 14 N -0.81 3.73 0.00 10.12 1.11 -1.26 -0.63 119.66 131.92 2ker s GLN 14 Ca -0.09 -0.46 0.00 0.00 0.01 0.00 0.00 55.36 54.82 2ker s GLN 14 Cb -0.05 -3.00 0.00 0.00 -1.01 0.00 0.00 33.01 28.95 2ker s GLN 14 CO -0.00 0.28 0.00 0.45 0.01 0.00 0.00 175.29 176.03 2ker n SER 15 N 3.44 1.88 -0.03 5.90 2.88 0.38 -4.98 113.62 123.08 2ker n SER 15 Ca -0.17 -0.01 -0.10 0.00 -1.33 0.00 0.00 58.87 57.26 2ker n SER 15 Cb 0.52 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.94 2ker n SER 15 CO 0.00 0.00 0.00 -0.50 -1.23 0.00 0.00 175.04 173.31 2ker h TRP 16 N 0.01 0.21 0.00 0.66 6.55 -1.95 -3.32 115.95 118.10 2ker h TRP 16 Ca 0.00 0.00 -0.16 0.00 0.95 0.00 0.00 58.89 59.69 2ker h TRP 16 Cb 0.00 -0.07 -0.33 0.00 -0.86 0.00 0.00 29.16 27.90 2ker h TRP 16 CO 0.00 0.15 -0.94 0.54 -1.05 0.00 0.00 178.44 177.13 2ker n ARG 17 N -4.96 0.00 -3.52 0.49 1.74 -1.26 -3.10 116.66 106.05 2ker n ARG 17 Ca -0.04 -1.84 -0.23 0.00 -0.77 0.00 0.00 57.85 54.98 2ker n ARG 17 Cb 0.03 -0.04 -0.14 0.00 -1.02 0.00 0.00 32.46 31.29 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 0.00 -0.03 -0.63 -1.55 6.14 -1.26 -3.55 117.35 116.46 2ker s TYR 18 Ca 0.29 -0.28 -0.18 0.00 0.64 0.00 0.00 57.07 57.53 2ker s TYR 18 Cb 0.33 -0.61 0.12 0.00 0.42 0.00 0.00 41.96 42.22 2ker s TYR 18 CO -0.14 -0.70 0.73 0.99 0.64 0.00 0.00 175.55 177.06 2ker s THR 19 N 2.23 4.90 -0.47 4.34 2.01 0.69 -0.47 115.64 128.86 2ker s THR 19 Ca 0.07 -1.19 -0.24 0.00 0.31 0.00 0.00 61.69 60.64 2ker s THR 19 Cb -0.16 -4.50 0.03 0.00 0.01 0.00 0.00 72.50 67.88 2ker s THR 19 CO -0.22 -1.13 0.88 1.51 -0.69 0.00 0.00 174.62 174.97 2ker s ASP 20 N 3.52 6.44 -0.44 3.53 -4.77 0.20 -2.51 116.67 122.64 2ker s ASP 20 Ca 0.13 -0.04 -0.15 0.00 -3.30 0.00 0.00 52.55 49.19 2ker s ASP 20 Cb -0.22 -2.43 0.05 0.00 -1.09 0.00 0.00 42.92 39.23 2ker s ASP 20 CO 0.04 -1.04 0.36 0.54 0.70 0.00 0.00 175.17 175.76 2ker s VAL 21 N 3.65 5.24 -0.38 2.11 0.11 -1.18 -0.82 120.40 129.12 2ker s VAL 21 Ca 0.34 -0.86 -0.15 0.00 -2.93 0.00 0.00 61.98 58.37 2ker s VAL 21 Cb -0.11 -4.04 0.00 0.00 -1.53 0.00 0.00 36.38 30.70 2ker s VAL 21 CO 0.24 -0.46 0.35 -1.38 -3.33 0.00 0.00 175.10 170.52 2ker s HIS 22 N 1.69 3.21 0.52 1.54 -3.43 0.86 -2.17 115.29 117.50 2ker s HIS 22 Ca 0.05 -0.29 -0.15 0.00 -0.80 0.00 0.00 55.06 53.87 2ker s HIS 22 Cb -0.22 -2.68 -0.07 0.00 -1.43 0.00 0.00 32.58 28.18 2ker s HIS 22 CO 0.08 -0.54 0.97 1.21 -2.00 0.00 0.00 174.74 174.46 2ker s ASN 23 N 1.74 6.56 -0.06 7.38 3.84 -0.53 -0.41 114.94 133.46 2ker s ASN 23 Ca 0.09 1.50 0.19 0.00 0.21 0.00 0.00 52.86 54.86 2ker s ASN 23 Cb -0.17 -2.48 0.35 0.00 -0.55 0.00 0.00 41.25 38.39 2ker s ASN 23 CO 0.12 -0.60 1.15 0.61 -2.79 0.00 0.00 177.10 175.58 2ker n GLY 24 N -1.70 1.07 0.22 1.21 0.00 0.80 -2.52 105.19 104.27 2ker n GLY 24 Ca 0.06 -0.67 0.12 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.10 0.00 -2.45 0.00 0.00 -1.26 -5.00 120.51 109.70 2ker n ALA 26 Ca 0.04 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.27 2ker n ALA 26 Cb 0.52 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.86 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 -3.01 2.47 -0.03 0.00 -4.77 -1.26 -4.70 116.67 105.37 2ker s ASP 27 Ca 0.00 -0.86 -0.30 0.00 -3.30 0.00 0.00 52.55 48.09 2ker s ASP 27 Cb 0.00 -0.13 -0.06 0.00 -1.09 0.00 0.00 42.92 41.64 2ker s ASP 27 CO 0.00 -0.08 1.58 0.00 0.70 0.00 0.00 175.17 177.37 2ker s ALA 28 N -2.15 3.63 0.01 2.11 0.00 -1.26 -4.20 121.76 119.90 2ker s ALA 28 Ca 0.14 0.94 0.06 0.00 0.00 0.00 0.00 51.96 53.10 2ker s ALA 28 Cb -0.05 -3.70 -0.02 0.00 0.00 0.00 0.00 23.12 19.35 2ker s ALA 28 CO 0.05 -1.24 -0.18 0.14 0.00 0.00 0.00 175.76 174.54 2ker s VAL 29 N 3.44 1.44 -0.22 0.00 -7.23 -1.05 -4.86 120.40 111.92 2ker s VAL 29 Ca 0.70 -0.90 -0.18 0.00 -1.81 0.00 0.00 61.98 59.79 2ker s VAL 29 Cb -0.33 -1.22 -0.03 0.00 0.56 0.00 0.00 36.38 35.35 2ker s VAL 29 CO 0.28 0.30 0.50 -0.44 -0.31 0.00 0.00 175.10 175.44 2ker s SER 30 N -0.70 6.51 0.08 4.85 0.01 -1.26 0.82 113.70 124.01 2ker s SER 30 Ca 0.06 0.61 0.08 0.00 1.31 0.00 0.00 55.95 58.01 2ker s SER 30 Cb -0.07 -2.28 -0.03 0.00 0.21 0.00 0.00 66.02 63.84 2ker s SER 30 CO 0.00 -0.21 -0.22 0.68 0.41 0.00 0.00 173.24 173.91 2ker s VAL 31 N 1.83 1.79 0.23 3.43 -7.23 0.16 0.91 120.40 121.52 2ker s VAL 31 Ca 0.23 -1.45 0.07 0.00 -1.81 0.00 0.00 61.98 59.01 2ker s VAL 31 Cb -0.15 -1.59 -0.05 0.00 0.56 0.00 0.00 36.38 35.14 2ker s VAL 31 CO 0.09 0.07 -0.11 0.28 -0.31 0.00 0.00 175.10 175.12 2ker s THR 32 N -1.01 1.64 0.00 5.32 -1.32 0.29 0.70 115.64 121.26 2ker s THR 32 Ca 0.08 -2.17 0.03 0.00 -1.21 0.00 0.00 61.69 58.42 2ker s THR 32 Cb -0.10 -2.18 -0.01 0.00 -1.51 0.00 0.00 72.50 68.70 2ker s THR 32 CO 0.04 -0.49 -0.09 0.68 -2.21 0.00 0.00 174.62 172.54 2ker s VAL 33 N -3.03 0.72 -0.36 5.08 -7.23 -1.26 0.45 120.40 114.77 2ker s VAL 33 Ca 0.25 -0.51 -0.11 0.00 -1.81 0.00 0.00 61.98 59.80 2ker s VAL 33 Cb 0.01 -0.63 0.02 0.00 0.56 0.00 0.00 36.38 36.35 2ker s VAL 33 CO 0.08 0.11 0.20 -0.70 -0.31 0.00 0.00 175.10 174.48 2ker s GLU 34 N -0.45 2.89 0.34 4.82 2.56 0.16 -4.36 118.70 124.66 2ker s GLU 34 Ca 0.02 -1.03 -0.01 0.00 0.00 0.00 0.00 54.97 53.95 2ker s GLU 34 Cb -0.05 -3.70 -0.04 0.00 2.00 0.00 0.00 34.13 32.35 2ker s GLU 34 CO -0.00 -0.66 0.56 0.71 -0.56 0.00 0.00 175.26 175.31 2ker s TYR 35 N 1.56 3.50 0.44 5.30 1.51 -1.26 0.49 117.35 128.90 2ker s TYR 35 Ca 0.02 0.41 0.25 0.00 -1.01 0.00 0.00 57.07 56.74 2ker s TYR 35 Cb -0.19 -1.94 1.26 0.00 -0.11 0.00 0.00 41.96 40.99 2ker s TYR 35 CO 0.06 0.12 1.77 1.15 -1.11 0.00 0.00 175.55 177.54 2ker h THR 36 N 0.82 0.46 0.00 -0.71 2.02 -0.43 -3.37 112.91 111.71 2ker h THR 36 Ca -0.49 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 66.60 2ker h THR 36 Cb 1.21 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.81 2ker h THR 36 CO 0.62 0.05 0.00 1.41 0.37 0.00 0.00 175.52 177.97 2ker n HIS 37 N -4.50 0.00 0.00 3.16 8.25 -1.26 -4.95 115.22 115.92 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 1.03 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.14 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 3.31 -1.80 3.77 -1.41 0.00 -1.26 -5.14 105.19 102.66 2ker n GLY 38 Ca 0.00 0.70 -0.38 0.00 0.00 0.00 0.00 46.02 46.34 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 4.17 -0.64 1.61 -0.44 -1.26 -4.94 119.66 118.16 2ker s GLN 39 Ca 0.00 1.72 -0.27 0.00 -2.50 0.00 0.00 55.36 54.31 2ker s GLN 39 Cb 0.00 -2.70 0.01 0.00 -1.64 0.00 0.00 33.01 28.68 2ker s GLN 39 CO 0.00 -0.18 1.46 -0.46 0.50 0.00 0.00 175.29 176.60 2ker s TRP 40 N -1.46 2.15 0.00 1.67 -0.11 -1.26 -4.40 118.94 115.52 2ker s TRP 40 Ca 0.56 0.34 0.00 0.00 1.22 0.00 0.00 56.10 58.22 2ker s TRP 40 Cb -0.28 -4.42 0.00 0.00 -1.50 0.00 0.00 33.47 27.27 2ker s TRP 40 CO 0.35 -2.09 0.01 0.00 -4.62 0.00 0.00 176.95 170.60 2ker n ALA 41 N 10.18 0.32 -1.84 5.86 0.00 -1.26 -5.07 120.51 128.70 2ker n ALA 41 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.14 2ker n ALA 41 Cb 0.50 0.00 -0.01 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 3.71 0.00 0.00 -0.05 -1.26 -4.39 135.00 133.01 2ker n PRO 42 Ca 0.00 -2.95 0.00 0.00 -0.05 0.00 0.00 63.50 60.50 2ker n PRO 42 Cb 0.15 -2.90 0.00 0.00 -0.05 0.00 0.00 33.50 30.70 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 0.40 0.15 0.00 3.00 0.22 -4.43 118.95 118.29 2ker s ARG 44 Ca 0.00 1.06 -0.30 0.00 -1.00 0.00 0.00 55.73 55.49 2ker s ARG 44 Cb 0.00 0.33 -0.07 0.00 0.00 0.00 0.00 34.95 35.21 2ker s ARG 44 CO 0.00 -0.22 1.03 0.54 0.00 0.00 0.00 175.30 176.65 2ker s VAL 45 N 2.33 4.17 0.04 7.11 0.11 -1.26 0.37 120.40 133.28 2ker s VAL 45 Ca -0.05 1.85 -0.04 0.00 -2.93 0.00 0.00 61.98 60.81 2ker s VAL 45 Cb -0.11 -4.18 -0.05 0.00 -1.53 0.00 0.00 36.38 30.52 2ker s VAL 45 CO -0.14 0.30 0.27 -0.51 -3.33 0.00 0.00 175.10 171.69 2ker s ILE 46 N -0.15 5.31 0.22 7.04 1.10 0.24 -4.92 121.20 130.04 2ker s ILE 46 Ca 0.48 -0.02 -0.21 0.00 -0.51 0.00 0.00 60.65 60.39 2ker s ILE 46 Cb -0.26 -3.59 -0.08 0.00 0.15 0.00 0.00 42.46 38.68 2ker s ILE 46 CO 0.32 0.24 0.75 -1.61 -2.11 0.00 0.00 174.94 172.54 2ker s GLU 47 N -2.13 4.34 -0.93 3.50 2.02 -1.26 -2.52 118.70 121.72 2ker s GLU 47 Ca 0.32 0.96 -0.20 0.00 0.02 0.00 0.00 54.97 56.07 2ker s GLU 47 Cb -0.13 -2.96 -0.25 0.00 0.10 0.00 0.00 34.13 30.89 2ker s GLU 47 CO 0.21 0.43 2.39 -2.30 0.02 0.00 0.00 175.26 176.00 2ker n PRO 48 N 0.91 0.16 -0.26 0.39 -0.02 -1.26 0.78 135.00 135.69 2ker n PRO 48 Ca -0.03 -0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.35 2ker n PRO 48 Cb 0.50 -1.70 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 6.04 0.86 1.59 -1.23 0.00 -1.05 -4.84 105.19 106.56 2ker n GLY 49 Ca 0.62 -0.08 -0.08 0.00 0.00 0.00 0.00 46.02 46.48 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 -2.26 1.53 3.62 -0.02 0.00 0.23 -4.62 105.19 103.67 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 -0.69 2.51 -0.15 1.61 0.52 -1.24 -1.46 118.94 120.05 2ker s TRP 51 Ca 0.26 -0.50 -0.04 0.00 0.02 0.00 0.00 56.10 55.83 2ker s TRP 51 Cb -0.02 -1.55 0.06 0.00 -1.15 0.00 0.00 33.47 30.81 2ker s TRP 51 CO 0.16 0.47 0.11 0.00 0.02 0.00 0.00 176.95 177.71 2ker s ALA 52 N -2.57 0.28 -0.09 0.98 0.00 -0.92 -4.78 121.76 114.65 2ker s ALA 52 Ca 0.35 -0.11 -0.29 0.00 0.00 0.00 0.00 51.96 51.90 2ker s ALA 52 Cb 0.02 -0.99 -0.02 0.00 0.00 0.00 0.00 23.12 22.13 2ker s ALA 52 CO 0.19 -1.04 0.99 0.99 0.00 0.00 0.00 175.76 176.89 2ker s THR 53 N 2.18 4.81 -0.00 0.00 2.01 -1.26 -3.08 115.64 120.29 2ker s THR 53 Ca 0.03 2.02 0.02 0.00 0.31 0.00 0.00 61.69 64.07 2ker s THR 53 Cb -0.15 -4.30 -0.01 0.00 0.01 0.00 0.00 72.50 68.05 2ker s THR 53 CO -0.08 0.04 -0.05 -0.36 -0.69 0.00 0.00 174.62 173.47 2ker s PHE 54 N 1.81 0.45 -0.52 4.92 0.08 -1.04 -4.95 117.98 118.73 2ker s PHE 54 Ca 0.48 -0.12 -0.30 0.00 0.12 0.00 0.00 56.93 57.12 2ker s PHE 54 Cb -0.19 -0.29 -0.11 0.00 -0.57 0.00 0.00 43.02 41.86 2ker s PHE 54 CO 0.20 -0.01 2.38 0.00 -0.10 0.00 0.00 175.22 177.69 2ker n ALA 55 N 2.84 0.88 -0.98 5.36 0.00 -1.26 -0.22 120.51 127.12 2ker n ALA 55 Ca -0.14 -0.46 -0.16 0.00 0.00 0.00 0.00 53.44 52.68 2ker n ALA 55 Cb 0.58 -2.78 0.21 0.00 0.00 0.00 0.00 19.45 17.46 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 6.26 -2.85 3.53 0.00 0.00 -1.23 -4.21 105.19 106.69 2ker n GLY 56 Ca 0.44 -1.47 -0.42 0.00 0.00 0.00 0.00 46.02 44.57 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 -2.58 2.67 1.13 1.61 1.13 -1.18 -4.50 117.35 115.62 2ker s TYR 57 Ca 0.59 -0.92 -0.19 0.00 -1.41 0.00 0.00 57.07 55.15 2ker s TYR 57 Cb -0.06 -4.57 0.27 0.00 -1.10 0.00 0.00 41.96 36.49 2ker s TYR 57 CO 0.46 -1.82 1.21 0.20 -2.51 0.00 0.00 175.55 173.09 2ker s GLY 58 N 4.50 1.68 0.42 5.49 0.00 -1.18 -4.77 107.32 113.47 2ker s GLY 58 Ca 0.41 -1.15 0.17 0.00 0.00 0.00 0.00 44.72 44.15 2ker s GLY 58 CO -0.07 -0.27 1.91 -0.91 0.00 0.00 0.00 173.10 173.76 2ker h THR 59 N -2.28 1.05 -2.30 0.90 1.35 -1.93 -3.35 112.91 106.35 2ker h THR 59 Ca -0.44 -0.97 -0.52 0.00 -0.55 0.00 0.00 66.41 63.93 2ker h THR 59 Cb 1.26 1.54 -0.36 0.00 -1.73 0.00 0.00 68.15 68.86 2ker h THR 59 CO 0.32 0.26 -0.85 -1.81 -0.25 0.00 0.00 175.52 173.19 2ker s ASP 60 N -6.75 1.81 0.00 5.36 1.11 -1.26 -5.08 116.67 111.86 2ker s ASP 60 Ca -0.03 -2.38 0.00 0.00 0.18 0.00 0.00 52.55 50.32 2ker s ASP 60 Cb 0.14 -0.10 0.00 0.00 1.07 0.00 0.00 42.92 44.03 2ker s ASP 60 CO 0.69 -0.23 0.00 0.61 1.18 0.00 0.00 175.17 177.41 2ker n GLY 61 N 3.57 1.03 3.59 0.21 0.00 -1.26 -5.17 105.19 107.17 2ker n GLY 61 Ca 0.19 0.09 -0.26 0.00 0.00 0.00 0.00 46.02 46.04 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 2.00 3.89 -0.09 1.61 0.01 -1.26 -4.82 114.94 116.28 2ker s ASN 62 Ca 0.00 -1.17 -0.01 0.00 -0.71 0.00 0.00 52.86 50.97 2ker s ASN 62 Cb 0.00 -0.41 0.03 0.00 0.41 0.00 0.00 41.25 41.28 2ker s ASN 62 CO 0.00 -0.27 -0.04 -0.47 -1.51 0.00 0.00 177.10 174.81 2ker s TYR 63 N -2.60 1.07 0.15 2.20 5.04 -1.26 -3.10 117.35 118.84 2ker s TYR 63 Ca 0.34 -0.45 -0.31 0.00 -2.44 0.00 0.00 57.07 54.21 2ker s TYR 63 Cb 0.03 -1.01 -0.10 0.00 0.35 0.00 0.00 41.96 41.24 2ker s TYR 63 CO 0.18 -0.41 1.54 0.14 -1.34 0.00 0.00 175.55 175.65 2ker s VAL 64 N 1.81 2.75 -0.02 3.14 -7.23 -1.26 0.36 120.40 119.95 2ker s VAL 64 Ca 0.04 0.53 0.02 0.00 -1.81 0.00 0.00 61.98 60.76 2ker s VAL 64 Cb -0.12 -3.34 -0.03 0.00 0.56 0.00 0.00 36.38 33.45 2ker s VAL 64 CO -0.06 0.04 0.01 0.35 -0.31 0.00 0.00 175.10 175.13 2ker n THR 65 N 4.00 0.13 -3.82 5.32 -2.24 0.18 -4.91 114.28 112.95 2ker n THR 65 Ca 0.14 -0.09 -0.13 0.00 -2.27 0.00 0.00 64.05 61.70 2ker n THR 65 Cb 0.39 -0.83 -0.14 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 -3.18 -0.01 -0.15 3.38 0.00 -1.14 -4.98 107.32 101.24 2ker s GLY 66 Ca -0.01 0.28 -0.15 0.00 0.00 0.00 0.00 44.72 44.85 2ker s GLY 66 CO 0.09 0.41 0.33 1.08 0.00 0.00 0.00 173.10 175.00 2ker s LEU 67 N 0.46 4.24 0.02 0.66 1.43 -1.26 0.38 118.68 124.61 2ker s LEU 67 Ca -0.04 0.56 0.07 0.00 -1.03 0.00 0.00 54.13 53.69 2ker s LEU 67 Cb -0.05 -2.43 -0.03 0.00 0.03 0.00 0.00 46.19 43.71 2ker s LEU 67 CO -0.02 0.07 -0.20 -1.00 0.23 0.00 0.00 176.35 175.43 2ker s HIS 68 N 0.53 2.50 -0.11 0.29 3.76 0.17 -2.82 115.29 119.61 2ker s HIS 68 Ca 0.18 -0.30 -0.28 0.00 -0.15 0.00 0.00 55.06 54.51 2ker s HIS 68 Cb -0.13 -1.48 -0.01 0.00 1.11 0.00 0.00 32.58 32.06 2ker s HIS 68 CO 0.05 0.17 0.95 0.99 -0.85 0.00 0.00 174.74 176.05 2ker s THR 69 N -0.82 4.82 0.63 1.30 2.01 -1.26 0.10 115.64 122.43 2ker s THR 69 Ca 0.13 1.92 0.05 0.00 0.31 0.00 0.00 61.69 64.10 2ker s THR 69 Cb -0.10 -4.26 0.10 0.00 0.01 0.00 0.00 72.50 68.25 2ker s THR 69 CO 0.03 0.03 0.87 0.00 -0.69 0.00 0.00 174.62 174.86 2ker s ASP 71 N -4.69 -0.01 0.00 0.00 -4.77 -1.26 -4.26 116.67 101.68 2ker s ASP 71 Ca 0.64 -0.14 0.00 0.00 -3.30 0.00 0.00 52.55 49.75 2ker s ASP 71 Cb -0.06 0.23 0.00 0.00 -1.09 0.00 0.00 42.92 42.00 2ker s ASP 71 CO 0.41 -0.36 0.00 -2.65 0.70 0.00 0.00 175.17 173.28 2ker n PRO 72 N 1.54 0.00 -3.15 2.11 -0.02 -1.26 -4.81 135.00 129.42 2ker n PRO 72 Ca -0.22 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.31 2ker n PRO 72 Cb 0.56 0.00 -0.01 0.00 -0.02 0.00 0.00 33.50 34.03 2ker n PRO 72 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ker s ALA 73 N 0.00 -3.18 -0.09 3.55 0.00 -1.26 -5.15 121.76 115.63 2ker s ALA 73 Ca 0.00 1.40 -0.30 0.00 0.00 0.00 0.00 51.96 53.07 2ker s ALA 73 Cb 0.00 -2.55 -0.02 0.00 0.00 0.00 0.00 23.12 20.55 2ker s ALA 73 CO 0.00 -1.71 1.03 0.95 0.00 0.00 0.00 175.76 176.03 2ker s THR 74 N 2.91 4.72 0.00 0.00 -4.23 -1.26 -4.80 115.64 112.98 2ker s THR 74 Ca 0.14 1.99 -0.25 0.00 -1.18 0.00 0.00 61.69 62.39 2ker s THR 74 Cb -0.09 -4.28 -0.17 0.00 1.34 0.00 0.00 72.50 69.30 2ker s THR 74 CO -0.20 0.01 1.24 1.55 -0.54 0.00 0.00 174.62 176.69 2ker h PRO 75 N 7.12 -0.26 0.00 3.99 0.13 -1.95 -3.47 132.00 137.56 2ker h PRO 75 Ca -0.32 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 2ker h PRO 75 Cb 1.15 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2ker h PRO 75 CO 0.85 0.09 0.00 0.43 -0.23 0.00 0.00 178.00 179.14 2ker n SER 76 N -5.04 -1.42 0.06 1.44 7.64 -1.26 -5.08 113.62 109.96 2ker n SER 76 Ca -0.09 0.35 0.00 0.00 1.01 0.00 0.00 58.87 60.15 2ker n SER 76 Cb 0.24 1.56 0.00 0.00 -1.01 0.00 0.00 64.21 65.00 2ker n SER 76 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ker n GLY 77 N -0.74 -0.96 0.25 0.23 0.00 -1.26 -5.30 105.19 97.42 2ker n GLY 77 Ca 0.00 0.26 0.15 0.00 0.00 0.00 0.00 46.02 46.43 2ker n GLY 77 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70