#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 0.00 0.00 -1.04 -1.26 -4.31 114.28 107.67 2ker n THR 2 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2ker n THR 2 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2ker n THR 2 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2ker n GLY 3 N 0.00 -0.80 3.88 3.41 0.00 -1.26 -4.89 105.19 105.54 2ker n GLY 3 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 2ker n GLY 3 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ker s SER 4 N -2.23 6.00 0.62 1.61 0.01 -1.26 -5.10 113.70 113.36 2ker s SER 4 Ca 0.00 0.05 -0.18 0.00 1.31 0.00 0.00 55.95 57.13 2ker s SER 4 Cb 0.00 -1.72 -0.02 0.00 0.21 0.00 0.00 66.02 64.49 2ker s SER 4 CO 0.00 0.06 1.24 -2.16 0.41 0.00 0.00 173.24 172.79 2ker s PRO 5 N -3.18 2.75 2.39 12.44 0.04 -1.26 -4.05 135.00 144.12 2ker s PRO 5 Ca 0.33 1.91 0.00 0.00 0.04 0.00 0.00 61.00 63.29 2ker s PRO 5 Cb -0.11 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.54 2ker s PRO 5 CO 0.26 -1.41 0.00 1.33 0.04 0.00 0.00 177.00 177.23 2ker n VAL 6 N -1.80 0.00 0.00 -0.36 0.24 -1.18 -0.94 118.33 114.29 2ker n VAL 6 Ca 0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.44 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 5.59 1.07 0.00 2.33 0.00 -1.26 -3.30 120.51 124.93 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 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 18.58 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 -1.20 0.00 0.00 0.00 1.02 -0.12 -4.66 120.64 115.69 2ker n GLU 8 Ca 0.00 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.28 2ker n GLU 8 Cb 0.04 -1.15 0.58 0.00 -0.02 0.00 0.00 31.44 30.88 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 -2.71 5.34 -0.17 0.00 -7.23 -1.26 -0.85 120.40 113.51 2ker s VAL 10 Ca 0.22 0.43 -0.01 0.00 -1.81 0.00 0.00 61.98 60.81 2ker s VAL 10 Cb 0.19 -3.52 0.05 0.00 0.56 0.00 0.00 36.38 33.66 2ker s VAL 10 CO 0.52 0.58 -0.03 -0.70 -0.31 0.00 0.00 175.10 175.16 2ker s GLU 11 N -0.87 1.24 0.49 4.82 2.12 0.58 -4.88 118.70 122.20 2ker s GLU 11 Ca 0.18 -0.51 0.00 0.00 0.36 0.00 0.00 54.97 55.00 2ker s GLU 11 Cb -0.13 -2.03 0.01 0.00 0.26 0.00 0.00 34.13 32.24 2ker s GLU 11 CO 0.07 -0.49 0.71 1.52 -0.54 0.00 0.00 175.26 176.54 2ker s TYR 12 N 1.67 3.11 -0.12 5.30 -0.85 -1.23 0.12 117.35 125.36 2ker s TYR 12 Ca -0.00 0.18 -0.12 0.00 -0.52 0.00 0.00 57.07 56.61 2ker s TYR 12 Cb -0.16 -2.47 0.03 0.00 0.38 0.00 0.00 41.96 39.74 2ker s TYR 12 CO -0.07 -0.54 0.33 0.12 -1.52 0.00 0.00 175.55 173.86 2ker s PHE 13 N -2.64 -0.35 -0.55 -3.49 5.36 -0.48 -4.91 117.98 110.91 2ker s PHE 13 Ca 0.51 0.83 -0.17 0.00 -0.96 0.00 0.00 56.93 57.15 2ker s PHE 13 Cb -0.10 0.12 0.12 0.00 -0.34 0.00 0.00 43.02 42.82 2ker s PHE 13 CO 0.38 -0.19 0.55 -0.65 -1.46 0.00 0.00 175.22 173.85 2ker s GLN 14 N 0.05 3.00 0.00 10.12 1.11 -1.26 -1.19 119.66 131.50 2ker s GLN 14 Ca -0.01 -1.61 0.00 0.00 0.01 0.00 0.00 55.36 53.75 2ker s GLN 14 Cb -0.03 -4.29 0.00 0.00 -1.01 0.00 0.00 33.01 27.69 2ker s GLN 14 CO 0.01 -1.38 0.00 0.45 0.01 0.00 0.00 175.29 174.38 2ker n SER 15 N 5.52 0.00 -4.56 5.90 2.88 0.54 -4.94 113.62 118.96 2ker n SER 15 Ca -0.13 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.14 2ker n SER 15 Cb 0.41 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.82 2ker n SER 15 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 2ker s TRP 16 N 1.93 1.42 -1.72 0.66 0.52 -1.26 -3.21 118.94 117.27 2ker s TRP 16 Ca 0.00 1.27 0.00 0.00 0.02 0.00 0.00 56.10 57.39 2ker s TRP 16 Cb 0.00 -3.77 0.00 0.00 -1.15 0.00 0.00 33.47 28.55 2ker s TRP 16 CO 0.00 -1.99 0.00 0.54 0.02 0.00 0.00 176.95 175.52 2ker n ARG 17 N 8.95 -1.56 -3.46 4.98 1.74 -1.26 -4.94 116.66 121.11 2ker n ARG 17 Ca 0.37 0.98 -0.20 0.00 -0.77 0.00 0.00 57.85 58.23 2ker n ARG 17 Cb 0.49 -5.55 -0.12 0.00 -1.02 0.00 0.00 32.46 26.26 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 -2.97 -0.23 -0.74 -1.55 6.14 -1.20 -3.36 117.35 113.45 2ker s TYR 18 Ca 0.00 -0.23 -0.20 0.00 0.64 0.00 0.00 57.07 57.27 2ker s TYR 18 Cb 0.00 -0.54 0.10 0.00 0.42 0.00 0.00 41.96 41.95 2ker s TYR 18 CO 0.00 -0.82 0.95 0.99 0.64 0.00 0.00 175.55 177.32 2ker s THR 19 N 2.29 4.61 -0.48 4.34 2.01 0.40 -0.34 115.64 128.47 2ker s THR 19 Ca 0.09 -0.98 -0.25 0.00 0.31 0.00 0.00 61.69 60.86 2ker s THR 19 Cb -0.15 -4.67 0.03 0.00 0.01 0.00 0.00 72.50 67.73 2ker s THR 19 CO -0.28 -1.39 0.91 1.51 -0.69 0.00 0.00 174.62 174.68 2ker s ASP 20 N 3.61 6.45 -0.45 3.53 -4.77 -0.33 -2.35 116.67 122.35 2ker s ASP 20 Ca 0.23 -0.03 -0.16 0.00 -3.30 0.00 0.00 52.55 49.29 2ker s ASP 20 Cb -0.14 -2.44 0.05 0.00 -1.09 0.00 0.00 42.92 39.30 2ker s ASP 20 CO 0.02 -1.07 0.40 0.54 0.70 0.00 0.00 175.17 175.76 2ker s VAL 21 N 3.73 5.18 -0.41 2.11 0.11 -1.17 -1.39 120.40 128.56 2ker s VAL 21 Ca 0.34 -0.80 -0.15 0.00 -2.93 0.00 0.00 61.98 58.45 2ker s VAL 21 Cb -0.11 -4.08 0.02 0.00 -1.53 0.00 0.00 36.38 30.68 2ker s VAL 21 CO 0.24 -0.51 0.30 -1.38 -3.33 0.00 0.00 175.10 170.42 2ker s HIS 22 N 1.83 3.24 0.56 1.54 -3.43 0.12 -2.17 115.29 116.99 2ker s HIS 22 Ca 0.07 -0.58 -0.13 0.00 -0.80 0.00 0.00 55.06 53.61 2ker s HIS 22 Cb -0.21 -2.59 -0.06 0.00 -1.43 0.00 0.00 32.58 28.29 2ker s HIS 22 CO 0.09 -0.59 0.99 1.21 -2.00 0.00 0.00 174.74 174.45 2ker s ASN 23 N 1.68 6.40 0.00 7.38 2.47 -0.64 -0.30 114.94 131.93 2ker s ASN 23 Ca 0.05 1.45 0.06 0.00 0.42 0.00 0.00 52.86 54.84 2ker s ASN 23 Cb -0.19 -2.47 0.09 0.00 -1.45 0.00 0.00 41.25 37.23 2ker s ASN 23 CO 0.10 -0.73 0.90 0.61 -3.72 0.00 0.00 177.10 174.26 2ker n GLY 24 N -2.20 0.75 0.20 1.21 0.00 -0.03 -2.50 105.19 102.62 2ker n GLY 24 Ca 0.06 -0.18 0.14 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.98 0.00 -2.49 0.00 0.00 -1.26 -5.02 120.51 109.76 2ker n ALA 26 Ca 0.03 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.27 2ker n ALA 26 Cb 0.39 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.72 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 -3.22 2.32 0.08 0.00 -4.77 -1.26 -4.71 116.67 105.11 2ker s ASP 27 Ca 0.00 -0.81 -0.31 0.00 -3.30 0.00 0.00 52.55 48.13 2ker s ASP 27 Cb 0.00 -0.11 -0.08 0.00 -1.09 0.00 0.00 42.92 41.64 2ker s ASP 27 CO 0.00 -0.08 1.47 0.00 0.70 0.00 0.00 175.17 177.26 2ker s ALA 28 N -1.98 3.63 -0.01 2.11 0.00 -1.26 -4.08 121.76 120.17 2ker s ALA 28 Ca 0.11 1.10 0.02 0.00 0.00 0.00 0.00 51.96 53.19 2ker s ALA 28 Cb -0.06 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.46 2ker s ALA 28 CO 0.05 -0.82 -0.07 0.14 0.00 0.00 0.00 175.76 175.05 2ker s VAL 29 N 1.81 0.59 -0.19 0.00 -7.23 -1.03 -4.89 120.40 109.47 2ker s VAL 29 Ca 0.67 -0.28 -0.23 0.00 -1.81 0.00 0.00 61.98 60.32 2ker s VAL 29 Cb -0.37 -0.52 -0.02 0.00 0.56 0.00 0.00 36.38 36.04 2ker s VAL 29 CO 0.30 0.18 0.75 -0.44 -0.31 0.00 0.00 175.10 175.58 2ker s SER 30 N 0.06 6.84 0.13 4.85 0.01 -1.26 0.75 113.70 125.07 2ker s SER 30 Ca -0.00 1.02 0.09 0.00 1.31 0.00 0.00 55.95 58.37 2ker s SER 30 Cb -0.06 -2.41 -0.04 0.00 0.21 0.00 0.00 66.02 63.73 2ker s SER 30 CO -0.00 -0.36 -0.22 0.68 0.41 0.00 0.00 173.24 173.74 2ker s VAL 31 N 2.12 1.94 0.16 3.43 -7.23 0.78 0.64 120.40 122.24 2ker s VAL 31 Ca 0.34 -1.71 0.05 0.00 -1.81 0.00 0.00 61.98 58.86 2ker s VAL 31 Cb -0.16 -1.77 -0.04 0.00 0.56 0.00 0.00 36.38 34.96 2ker s VAL 31 CO 0.11 -0.06 -0.11 0.28 -0.31 0.00 0.00 175.10 175.00 2ker s THR 32 N -1.32 1.28 -0.04 5.32 -1.32 0.24 0.63 115.64 120.44 2ker s THR 32 Ca 0.11 -2.06 0.02 0.00 -1.21 0.00 0.00 61.69 58.55 2ker s THR 32 Cb -0.09 -1.86 0.01 0.00 -1.51 0.00 0.00 72.50 69.05 2ker s THR 32 CO 0.06 -0.70 -0.08 0.68 -2.21 0.00 0.00 174.62 172.37 2ker s VAL 33 N -3.17 0.76 -0.30 5.08 -7.23 -1.26 0.27 120.40 114.55 2ker s VAL 33 Ca 0.17 -0.31 -0.13 0.00 -1.81 0.00 0.00 61.98 59.90 2ker s VAL 33 Cb 0.01 -0.70 -0.03 0.00 0.56 0.00 0.00 36.38 36.22 2ker s VAL 33 CO 0.02 0.25 0.26 -0.70 -0.31 0.00 0.00 175.10 174.62 2ker s GLU 34 N 0.43 3.79 0.33 4.82 2.56 0.19 -4.08 118.70 126.74 2ker s GLU 34 Ca -0.07 -0.36 -0.03 0.00 0.00 0.00 0.00 54.97 54.51 2ker s GLU 34 Cb -0.11 -3.72 -0.04 0.00 2.00 0.00 0.00 34.13 32.26 2ker s GLU 34 CO 0.01 -0.31 0.58 0.71 -0.56 0.00 0.00 175.26 175.68 2ker s TYR 35 N 1.84 3.50 0.55 5.30 1.51 -1.26 -0.19 117.35 128.59 2ker s TYR 35 Ca 0.09 0.56 0.40 0.00 -1.01 0.00 0.00 57.07 57.10 2ker s TYR 35 Cb -0.16 -2.05 1.59 0.00 -0.11 0.00 0.00 41.96 41.23 2ker s TYR 35 CO 0.11 0.11 1.76 1.15 -1.11 0.00 0.00 175.55 177.56 2ker h THR 36 N 1.02 0.32 0.00 -0.71 2.02 -0.16 -3.34 112.91 112.06 2ker h THR 36 Ca -0.48 -0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.70 2ker h THR 36 Cb 1.20 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 67.93 2ker h THR 36 CO 0.64 0.00 0.00 1.41 0.37 0.00 0.00 175.52 177.94 2ker n HIS 37 N -4.13 0.00 0.00 3.16 8.25 -1.26 -4.94 115.22 116.29 2ker n HIS 37 Ca 0.30 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.76 2ker n HIS 37 Cb 1.41 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.52 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 3.33 -0.82 3.78 -1.41 0.00 -1.26 -5.12 105.19 103.69 2ker n GLY 38 Ca 0.00 0.24 -0.33 0.00 0.00 0.00 0.00 46.02 45.93 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 2.88 -0.20 1.61 -1.52 -1.26 -4.97 119.66 116.21 2ker s GLN 39 Ca 0.00 1.37 -0.29 0.00 -1.95 0.00 0.00 55.36 54.49 2ker s GLN 39 Cb 0.00 -1.96 -0.01 0.00 -0.22 0.00 0.00 33.01 30.81 2ker s GLN 39 CO 0.00 -1.18 1.32 -0.46 -0.25 0.00 0.00 175.29 174.72 2ker s TRP 40 N -2.34 2.69 0.00 0.91 -0.11 -1.26 -4.42 118.94 114.41 2ker s TRP 40 Ca 0.67 0.89 0.00 0.00 1.22 0.00 0.00 56.10 58.87 2ker s TRP 40 Cb -0.20 -3.68 0.00 0.00 -1.50 0.00 0.00 33.47 28.09 2ker s TRP 40 CO 0.41 -1.92 0.00 0.00 -4.62 0.00 0.00 176.95 170.81 2ker n ALA 41 N 7.07 0.00 -0.88 5.86 0.00 -1.26 -5.08 120.51 126.22 2ker n ALA 41 Ca 0.15 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.49 2ker n ALA 41 Cb 0.45 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.88 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 -1.24 0.00 0.00 0.00 -0.04 -1.26 -4.47 135.00 128.00 2ker n PRO 42 Ca 0.00 -0.22 0.00 0.00 -0.04 0.00 0.00 63.50 63.24 2ker n PRO 42 Cb 0.00 -1.33 0.00 0.00 -0.04 0.00 0.00 33.50 32.13 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 0.52 0.20 0.00 3.00 0.20 -4.23 118.95 118.64 2ker s ARG 44 Ca 0.00 1.02 -0.29 0.00 -1.00 0.00 0.00 55.73 55.46 2ker s ARG 44 Cb 0.00 0.12 -0.08 0.00 0.00 0.00 0.00 34.95 34.99 2ker s ARG 44 CO 0.00 -0.17 0.90 0.54 0.00 0.00 0.00 175.30 176.58 2ker s VAL 45 N 1.69 4.21 0.04 7.11 0.11 -1.26 -0.15 120.40 132.14 2ker s VAL 45 Ca -0.09 1.99 -0.02 0.00 -2.93 0.00 0.00 61.98 60.93 2ker s VAL 45 Cb -0.08 -4.28 -0.04 0.00 -1.53 0.00 0.00 36.38 30.45 2ker s VAL 45 CO -0.16 0.48 0.23 -0.51 -3.33 0.00 0.00 175.10 171.80 2ker s ILE 46 N -0.97 5.37 0.19 7.04 1.10 0.23 -4.91 121.20 129.25 2ker s ILE 46 Ca 0.41 -0.18 -0.18 0.00 -0.51 0.00 0.00 60.65 60.19 2ker s ILE 46 Cb -0.25 -3.59 -0.08 0.00 0.15 0.00 0.00 42.46 38.70 2ker s ILE 46 CO 0.30 0.23 0.66 -1.61 -2.11 0.00 0.00 174.94 172.41 2ker s GLU 47 N -2.21 4.16 -0.97 3.50 2.02 -1.26 -2.46 118.70 121.48 2ker s GLU 47 Ca 0.32 0.74 -0.23 0.00 0.02 0.00 0.00 54.97 55.81 2ker s GLU 47 Cb -0.13 -2.91 -0.25 0.00 0.10 0.00 0.00 34.13 30.94 2ker s GLU 47 CO 0.22 0.43 2.50 -2.30 0.02 0.00 0.00 175.26 176.13 2ker n PRO 48 N 0.78 0.06 -0.32 0.39 -0.02 -1.26 0.76 135.00 135.38 2ker n PRO 48 Ca -0.04 -0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 2ker n PRO 48 Cb 0.51 -1.47 0.00 0.00 -0.02 0.00 0.00 33.50 32.52 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 6.15 0.84 2.83 -1.23 0.00 -1.04 -4.86 105.19 107.87 2ker n GLY 49 Ca 0.65 -0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.50 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 -2.32 0.79 3.59 -0.02 0.00 0.23 -4.62 105.19 102.84 2ker n GLY 50 Ca 0.00 -2.03 -0.25 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 -2.13 2.48 -0.19 1.61 0.52 -1.24 -1.61 118.94 118.37 2ker s TRP 51 Ca 0.48 -0.48 -0.04 0.00 0.02 0.00 0.00 56.10 56.07 2ker s TRP 51 Cb -0.03 -1.46 0.08 0.00 -1.15 0.00 0.00 33.47 30.90 2ker s TRP 51 CO 0.32 0.52 0.15 0.00 0.02 0.00 0.00 176.95 177.95 2ker s ALA 52 N -2.57 0.14 0.01 0.98 0.00 -0.92 -4.81 121.76 114.59 2ker s ALA 52 Ca 0.34 -0.12 -0.30 0.00 0.00 0.00 0.00 51.96 51.88 2ker s ALA 52 Cb 0.02 -1.17 -0.03 0.00 0.00 0.00 0.00 23.12 21.93 2ker s ALA 52 CO 0.18 -1.22 0.99 0.99 0.00 0.00 0.00 175.76 176.70 2ker s THR 53 N 2.21 4.81 -0.01 0.00 2.01 -1.26 -3.04 115.64 120.36 2ker s THR 53 Ca 0.04 2.04 0.00 0.00 0.31 0.00 0.00 61.69 64.09 2ker s THR 53 Cb -0.16 -4.31 0.02 0.00 0.01 0.00 0.00 72.50 68.06 2ker s THR 53 CO -0.12 0.17 0.01 -0.36 -0.69 0.00 0.00 174.62 173.63 2ker s PHE 54 N 0.93 0.11 -0.64 4.92 0.08 -0.99 -4.95 117.98 117.43 2ker s PHE 54 Ca 0.52 0.04 -0.31 0.00 0.12 0.00 0.00 56.93 57.30 2ker s PHE 54 Cb -0.21 -0.20 -0.14 0.00 -0.57 0.00 0.00 43.02 41.90 2ker s PHE 54 CO 0.28 -0.06 2.45 0.00 -0.10 0.00 0.00 175.22 177.79 2ker n ALA 55 N 3.70 0.65 -1.19 5.36 0.00 -1.26 -0.45 120.51 127.32 2ker n ALA 55 Ca -0.21 -0.42 -0.30 0.00 0.00 0.00 0.00 53.44 52.51 2ker n ALA 55 Cb 0.54 -2.64 0.22 0.00 0.00 0.00 0.00 19.45 17.57 2ker n ALA 55 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2ker s GLY 56 N 9.51 1.60 -1.27 0.00 0.00 -1.21 -4.34 107.32 111.60 2ker s GLY 56 Ca 1.16 -0.87 -0.17 0.00 0.00 0.00 0.00 44.72 44.84 2ker s GLY 56 CO 0.42 -0.05 1.65 -2.52 0.00 0.00 0.00 173.10 172.61 2ker s TYR 57 N -3.09 2.98 -0.19 1.90 1.13 -1.23 -4.58 117.35 114.25 2ker s TYR 57 Ca 0.70 -1.76 0.06 0.00 -1.41 0.00 0.00 57.07 54.66 2ker s TYR 57 Cb -0.11 -4.64 -0.22 0.00 -1.10 0.00 0.00 41.96 35.90 2ker s TYR 57 CO 0.56 -1.70 0.06 0.41 -2.51 0.00 0.00 175.55 172.37 2ker n GLY 58 N 5.06 -0.64 0.75 5.49 0.00 -1.26 -4.06 105.19 110.52 2ker n GLY 58 Ca 0.45 -0.22 0.06 0.00 0.00 0.00 0.00 46.02 46.31 2ker n GLY 58 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ker n THR 59 N -3.13 0.57 -1.70 2.61 -2.24 -1.26 -4.87 114.28 104.26 2ker n THR 59 Ca -0.37 -0.54 -0.20 0.00 -2.27 0.00 0.00 64.05 60.68 2ker n THR 59 Cb 1.05 0.23 -0.07 0.00 -2.10 0.00 0.00 70.33 69.44 2ker n THR 59 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2ker n ASP 60 N 0.63 -5.21 0.00 3.42 8.00 -1.26 -4.86 116.55 117.26 2ker n ASP 60 Ca 0.13 0.41 0.00 0.00 0.71 0.00 0.00 54.79 56.04 2ker n ASP 60 Cb 0.35 -4.59 0.00 0.00 -0.02 0.00 0.00 41.12 36.86 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 -0.46 0.03 3.68 0.44 0.00 -1.26 -4.97 105.19 102.65 2ker n GLY 61 Ca -0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.37 7.02 -0.21 1.61 0.02 -1.26 -4.63 114.94 117.12 2ker s ASN 62 Ca 0.00 1.76 -0.01 0.00 -1.02 0.00 0.00 52.86 53.59 2ker s ASN 62 Cb 0.00 -2.55 0.06 0.00 0.02 0.00 0.00 41.25 38.78 2ker s ASN 62 CO 0.00 -0.64 -0.01 -0.47 0.02 0.00 0.00 177.10 176.00 2ker s TYR 63 N 2.63 1.68 0.17 2.20 5.04 -1.26 -3.56 117.35 124.24 2ker s TYR 63 Ca 0.55 -1.25 -0.32 0.00 -2.44 0.00 0.00 57.07 53.62 2ker s TYR 63 Cb -0.23 -1.29 -0.11 0.00 0.35 0.00 0.00 41.96 40.67 2ker s TYR 63 CO 0.19 -0.67 1.76 0.54 -1.34 0.00 0.00 175.55 176.03 2ker s VAL 64 N 1.64 2.29 0.00 3.14 0.11 -1.26 0.58 120.40 126.89 2ker s VAL 64 Ca -0.03 0.06 0.00 0.00 -2.93 0.00 0.00 61.98 59.08 2ker s VAL 64 Cb -0.17 -3.04 0.00 0.00 -1.53 0.00 0.00 36.38 31.64 2ker s VAL 64 CO -0.07 0.00 0.42 1.07 -3.33 0.00 0.00 175.10 173.19 2ker n THR 65 N 4.32 0.00 -3.65 5.04 5.66 0.74 -4.90 114.28 121.49 2ker n THR 65 Ca 0.17 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 61.10 2ker n THR 65 Cb 0.37 1.06 -0.07 0.00 -1.55 0.00 0.00 70.33 70.14 2ker n THR 65 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2ker s GLY 66 N 0.00 -0.59 -0.17 1.09 0.00 -1.10 -4.96 107.32 101.59 2ker s GLY 66 Ca 0.00 2.23 -0.09 0.00 0.00 0.00 0.00 44.72 46.87 2ker s GLY 66 CO 0.00 2.37 0.12 1.08 0.00 0.00 0.00 173.10 176.67 2ker s LEU 67 N 1.80 4.16 0.08 0.66 1.43 -1.26 0.58 118.68 126.13 2ker s LEU 67 Ca -0.09 0.26 0.07 0.00 -1.03 0.00 0.00 54.13 53.34 2ker s LEU 67 Cb -0.07 -2.05 -0.03 0.00 0.03 0.00 0.00 46.19 44.07 2ker s LEU 67 CO -0.18 0.24 -0.19 -1.00 0.23 0.00 0.00 176.35 175.45 2ker s HIS 68 N -0.02 1.66 -0.13 0.29 3.76 0.14 -3.10 115.29 117.89 2ker s HIS 68 Ca 0.09 -0.41 -0.29 0.00 -0.15 0.00 0.00 55.06 54.30 2ker s HIS 68 Cb -0.11 -0.93 -0.01 0.00 1.11 0.00 0.00 32.58 32.63 2ker s HIS 68 CO -0.00 0.15 0.97 0.99 -0.85 0.00 0.00 174.74 176.00 2ker s THR 69 N -1.08 4.79 0.56 1.30 2.01 -1.26 0.80 115.64 122.77 2ker s THR 69 Ca 0.05 1.96 0.05 0.00 0.31 0.00 0.00 61.69 64.06 2ker s THR 69 Cb -0.10 -4.28 0.07 0.00 0.01 0.00 0.00 72.50 68.20 2ker s THR 69 CO 0.03 -0.01 0.78 0.00 -0.69 0.00 0.00 174.62 174.73 2ker s ASP 71 N -4.55 4.90 -0.00 0.00 -4.77 -1.26 -4.35 116.67 106.63 2ker s ASP 71 Ca 0.60 -0.12 -0.00 0.00 -3.30 0.00 0.00 52.55 49.73 2ker s ASP 71 Cb -0.08 -1.19 -0.00 0.00 -1.09 0.00 0.00 42.92 40.57 2ker s ASP 71 CO 0.38 0.24 0.49 -2.65 0.70 0.00 0.00 175.17 174.34 2ker n PRO 72 N 1.15 0.00 -3.13 2.11 -0.01 -1.26 -4.70 135.00 129.16 2ker n PRO 72 Ca -0.14 0.00 0.05 0.00 -0.01 0.00 0.00 63.50 63.40 2ker n PRO 72 Cb 0.52 -0.49 0.00 0.00 -0.01 0.00 0.00 33.50 33.52 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 -3.64 -0.20 3.55 0.00 -1.26 -5.13 121.76 115.08 2ker s ALA 73 Ca 0.00 1.26 -0.25 0.00 0.00 0.00 0.00 51.96 52.97 2ker s ALA 73 Cb -0.00 -2.77 -0.01 0.00 0.00 0.00 0.00 23.12 20.33 2ker s ALA 73 CO 0.00 -2.06 0.82 0.99 0.00 0.00 0.00 175.76 175.52 2ker s THR 74 N 2.85 4.87 -0.98 0.00 2.01 -1.26 -4.70 115.64 118.43 2ker s THR 74 Ca 0.23 1.59 -0.27 0.00 0.31 0.00 0.00 61.69 63.55 2ker s THR 74 Cb -0.04 -4.12 -0.24 0.00 0.01 0.00 0.00 72.50 68.11 2ker s THR 74 CO -0.23 -0.01 2.59 -2.65 -0.69 0.00 0.00 174.62 173.63 2ker n PRO 75 N 5.50 0.03 -2.98 4.92 -0.01 -1.26 -4.83 135.00 136.38 2ker n PRO 75 Ca 0.05 -0.01 -0.44 0.00 -0.01 0.00 0.00 63.50 63.09 2ker n PRO 75 Cb 0.48 -1.48 -0.03 0.00 -0.01 0.00 0.00 33.50 32.47 2ker n PRO 75 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 175.50 174.37 2ker s SER 76 N 7.44 6.61 -0.01 2.55 0.01 -1.26 -4.80 113.70 124.25 2ker s SER 76 Ca 1.34 -2.06 -0.01 0.00 1.31 0.00 0.00 55.95 56.53 2ker s SER 76 Cb -1.14 -2.37 -0.27 0.00 0.21 0.00 0.00 66.02 62.45 2ker s SER 76 CO 0.50 -1.02 0.81 1.23 0.41 0.00 0.00 173.24 175.16 2ker h GLY 77 N 10.12 0.23 0.00 3.44 0.00 -2.05 -3.57 103.07 111.24 2ker h GLY 77 Ca 0.12 -0.60 0.00 0.00 0.00 0.00 0.00 47.33 46.85 2ker h GLY 77 CO 1.07 0.52 0.00 3.33 0.00 0.00 0.00 176.54 181.46