#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 3.50 0.00 0.00 2.01 -1.26 -4.74 115.64 115.15 2ker s THR 2 Ca 0.00 0.35 0.00 0.00 0.31 0.00 0.00 61.69 62.35 2ker s THR 2 Cb 0.00 -4.14 0.00 0.00 0.01 0.00 0.00 72.50 68.37 2ker s THR 2 CO 0.00 -1.04 0.00 0.61 -0.69 0.00 0.00 174.62 173.50 2ker n GLY 3 N 5.54 -2.58 3.89 4.40 0.00 -1.26 -4.93 105.19 110.25 2ker n GLY 3 Ca 0.17 -1.65 -0.34 0.00 0.00 0.00 0.00 46.02 44.19 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 -2.16 6.33 0.68 1.61 0.01 -1.26 -5.09 113.70 113.82 2ker s SER 4 Ca 0.00 0.37 -0.16 0.00 1.31 0.00 0.00 55.95 57.47 2ker s SER 4 Cb 0.00 -2.00 0.01 0.00 0.21 0.00 0.00 66.02 64.24 2ker s SER 4 CO 0.00 0.31 1.17 -2.16 0.41 0.00 0.00 173.24 172.97 2ker s PRO 5 N -1.65 2.52 2.12 12.44 0.04 -1.26 -4.37 135.00 144.82 2ker s PRO 5 Ca 0.23 1.64 0.00 0.00 0.04 0.00 0.00 61.00 62.92 2ker s PRO 5 Cb -0.12 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.52 2ker s PRO 5 CO 0.14 -1.52 0.00 1.33 0.04 0.00 0.00 177.00 176.99 2ker n VAL 6 N -2.41 0.00 0.00 -0.36 0.24 -1.11 -0.68 118.33 114.01 2ker n VAL 6 Ca 0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.42 2ker n VAL 6 Cb 0.51 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.88 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 6.14 1.26 0.00 2.33 0.00 -1.26 -4.71 120.51 124.27 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 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 0.01 0.00 1.02 0.14 -4.67 120.64 116.11 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 0.01 -0.71 0.37 0.00 -0.02 0.00 0.00 31.44 31.10 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 -3.03 5.24 -0.14 0.00 -7.23 -1.26 -1.12 120.40 112.86 2ker s VAL 10 Ca 0.11 0.53 -0.01 0.00 -1.81 0.00 0.00 61.98 60.80 2ker s VAL 10 Cb 0.17 -3.58 0.04 0.00 0.56 0.00 0.00 36.38 33.57 2ker s VAL 10 CO 0.64 0.57 -0.02 -0.70 -0.31 0.00 0.00 175.10 175.28 2ker s GLU 11 N -1.15 1.04 0.44 4.82 2.12 0.70 -4.85 118.70 121.82 2ker s GLU 11 Ca 0.21 -0.28 -0.02 0.00 0.36 0.00 0.00 54.97 55.24 2ker s GLU 11 Cb -0.15 -1.68 -0.02 0.00 0.26 0.00 0.00 34.13 32.54 2ker s GLU 11 CO 0.10 -0.42 0.69 1.52 -0.54 0.00 0.00 175.26 176.61 2ker s TYR 12 N 1.79 3.42 0.06 5.30 -0.85 -1.24 0.06 117.35 125.90 2ker s TYR 12 Ca 0.02 0.49 -0.06 0.00 -0.52 0.00 0.00 57.07 57.00 2ker s TYR 12 Cb -0.14 -2.22 -0.01 0.00 0.38 0.00 0.00 41.96 39.97 2ker s TYR 12 CO -0.07 -0.22 0.11 0.12 -1.52 0.00 0.00 175.55 173.96 2ker s PHE 13 N -2.58 0.26 -0.35 -3.49 5.36 0.06 -4.92 117.98 112.32 2ker s PHE 13 Ca 0.46 -0.68 0.01 0.00 -0.96 0.00 0.00 56.93 55.75 2ker s PHE 13 Cb -0.10 -0.17 0.10 0.00 -0.34 0.00 0.00 43.02 42.51 2ker s PHE 13 CO 0.40 -0.45 0.09 -0.65 -1.46 0.00 0.00 175.22 173.15 2ker s GLN 14 N -3.52 1.82 -1.17 10.12 1.11 -1.26 -0.59 119.66 126.18 2ker s GLN 14 Ca 0.03 -1.76 -0.12 0.00 0.01 0.00 0.00 55.36 53.52 2ker s GLN 14 Cb 0.04 -3.32 0.21 0.00 -1.01 0.00 0.00 33.01 28.94 2ker s GLN 14 CO -0.09 -0.93 1.30 0.45 0.01 0.00 0.00 175.29 176.04 2ker s SER 15 N 1.28 7.18 0.00 5.90 0.15 0.03 -4.87 113.70 123.37 2ker s SER 15 Ca 0.07 -3.24 0.00 0.00 0.70 0.00 0.00 55.95 53.47 2ker s SER 15 Cb -0.21 -2.32 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 2ker s SER 15 CO -0.06 -0.56 0.00 0.79 1.20 0.00 0.00 173.24 174.61 2ker n TRP 16 N 4.44 0.00 -1.40 3.44 8.01 -1.26 -1.90 117.44 128.78 2ker n TRP 16 Ca 0.31 0.00 0.05 0.00 -1.31 0.00 0.00 57.50 56.56 2ker n TRP 16 Cb 0.41 0.00 0.19 0.00 -2.01 0.00 0.00 31.31 29.91 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 1.64 -3.69 -0.99 0.00 -1.26 -0.94 116.66 111.41 2ker n ARG 17 Ca 0.00 -3.07 -0.30 0.00 -0.00 0.00 0.00 57.85 54.49 2ker n ARG 17 Cb 0.00 -1.64 -0.14 0.00 -0.00 0.00 0.00 32.46 30.68 2ker n ARG 17 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.63 177.16 2ker s TYR 18 N -3.12 1.64 -0.64 2.89 6.14 -0.80 -1.67 117.35 121.80 2ker s TYR 18 Ca 0.38 -1.90 -0.24 0.00 0.64 0.00 0.00 57.07 55.94 2ker s TYR 18 Cb 0.35 -1.66 0.05 0.00 0.42 0.00 0.00 41.96 41.12 2ker s TYR 18 CO -0.02 -0.84 1.04 0.99 0.64 0.00 0.00 175.55 177.36 2ker s THR 19 N 1.20 4.19 -0.49 4.34 2.01 0.52 -0.79 115.64 126.62 2ker s THR 19 Ca 0.13 0.07 -0.24 0.00 0.31 0.00 0.00 61.69 61.95 2ker s THR 19 Cb -0.20 -4.70 0.03 0.00 0.01 0.00 0.00 72.50 67.64 2ker s THR 19 CO -0.15 -1.45 0.91 1.51 -0.69 0.00 0.00 174.62 174.74 2ker s ASP 20 N 3.42 6.42 -0.44 3.53 -4.77 0.25 -2.45 116.67 122.63 2ker s ASP 20 Ca 0.29 -0.11 -0.15 0.00 -3.30 0.00 0.00 52.55 49.28 2ker s ASP 20 Cb -0.13 -2.43 0.04 0.00 -1.09 0.00 0.00 42.92 39.31 2ker s ASP 20 CO 0.15 -1.09 0.34 0.54 0.70 0.00 0.00 175.17 175.80 2ker s VAL 21 N 3.74 5.23 -0.40 2.11 0.11 -1.16 -0.76 120.40 129.28 2ker s VAL 21 Ca 0.33 -0.85 -0.15 0.00 -2.93 0.00 0.00 61.98 58.39 2ker s VAL 21 Cb -0.11 -4.01 0.02 0.00 -1.53 0.00 0.00 36.38 30.74 2ker s VAL 21 CO 0.23 -0.43 0.29 -1.38 -3.33 0.00 0.00 175.10 170.48 2ker s HIS 22 N 1.66 3.24 0.62 1.54 -3.43 0.11 -2.25 115.29 116.78 2ker s HIS 22 Ca 0.05 -0.55 -0.11 0.00 -0.80 0.00 0.00 55.06 53.65 2ker s HIS 22 Cb -0.21 -2.57 -0.04 0.00 -1.43 0.00 0.00 32.58 28.32 2ker s HIS 22 CO 0.08 -0.56 1.03 1.21 -2.00 0.00 0.00 174.74 174.50 2ker s ASN 23 N 1.68 6.21 0.00 7.38 2.47 -0.66 -0.22 114.94 131.80 2ker s ASN 23 Ca 0.05 1.40 0.04 0.00 0.42 0.00 0.00 52.86 54.78 2ker s ASN 23 Cb -0.19 -2.45 0.07 0.00 -1.45 0.00 0.00 41.25 37.23 2ker s ASN 23 CO 0.10 -0.88 0.86 0.61 -3.72 0.00 0.00 177.10 174.07 2ker n GLY 24 N -2.75 0.75 0.17 1.21 0.00 -0.27 -2.61 105.19 101.69 2ker n GLY 24 Ca 0.06 -0.14 0.13 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.90 0.00 -2.42 0.00 0.00 -1.26 -5.01 120.51 109.92 2ker n ALA 26 Ca 0.03 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.28 2ker n ALA 26 Cb 0.37 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.71 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 -3.31 2.45 -0.03 0.00 -4.77 -1.26 -4.68 116.67 105.08 2ker s ASP 27 Ca 0.00 -0.91 -0.30 0.00 -3.30 0.00 0.00 52.55 48.04 2ker s ASP 27 Cb 0.00 -0.12 -0.05 0.00 -1.09 0.00 0.00 42.92 41.65 2ker s ASP 27 CO 0.00 -0.12 1.52 0.00 0.70 0.00 0.00 175.17 177.27 2ker s ALA 28 N -2.46 3.62 -0.01 2.11 0.00 -1.26 -3.99 121.76 119.78 2ker s ALA 28 Ca 0.17 0.91 0.04 0.00 0.00 0.00 0.00 51.96 53.08 2ker s ALA 28 Cb -0.03 -3.67 -0.01 0.00 0.00 0.00 0.00 23.12 19.40 2ker s ALA 28 CO 0.06 -1.16 -0.14 0.14 0.00 0.00 0.00 175.76 174.65 2ker s VAL 29 N 3.20 1.13 -0.24 0.00 -7.23 -1.00 -4.86 120.40 111.39 2ker s VAL 29 Ca 0.68 -0.65 -0.23 0.00 -1.81 0.00 0.00 61.98 59.97 2ker s VAL 29 Cb -0.32 -0.95 -0.01 0.00 0.56 0.00 0.00 36.38 35.66 2ker s VAL 29 CO 0.27 0.28 0.73 -0.44 -0.31 0.00 0.00 175.10 175.64 2ker s SER 30 N -0.43 6.72 0.08 4.85 0.01 -1.26 0.79 113.70 124.46 2ker s SER 30 Ca 0.05 0.89 0.10 0.00 1.31 0.00 0.00 55.95 58.30 2ker s SER 30 Cb -0.06 -2.39 -0.03 0.00 0.21 0.00 0.00 66.02 63.75 2ker s SER 30 CO -0.00 -0.43 -0.26 0.68 0.41 0.00 0.00 173.24 173.63 2ker s VAL 31 N 2.62 2.21 0.24 3.43 -7.23 0.10 0.80 120.40 122.57 2ker s VAL 31 Ca 0.31 -1.54 0.08 0.00 -1.81 0.00 0.00 61.98 59.01 2ker s VAL 31 Cb -0.15 -1.91 -0.05 0.00 0.56 0.00 0.00 36.38 34.82 2ker s VAL 31 CO 0.08 0.25 -0.12 0.28 -0.31 0.00 0.00 175.10 175.28 2ker s THR 32 N -0.92 1.76 -0.03 5.32 -1.32 0.27 0.59 115.64 121.31 2ker s THR 32 Ca 0.13 -2.20 0.02 0.00 -1.21 0.00 0.00 61.69 58.43 2ker s THR 32 Cb -0.10 -2.21 0.01 0.00 -1.51 0.00 0.00 72.50 68.69 2ker s THR 32 CO 0.04 -0.47 -0.08 0.68 -2.21 0.00 0.00 174.62 172.58 2ker s VAL 33 N -2.95 0.71 -0.33 5.08 -7.23 -1.26 0.42 120.40 114.84 2ker s VAL 33 Ca 0.26 -0.29 -0.09 0.00 -1.81 0.00 0.00 61.98 60.05 2ker s VAL 33 Cb 0.01 -0.66 0.02 0.00 0.56 0.00 0.00 36.38 36.30 2ker s VAL 33 CO 0.09 0.24 0.15 -0.70 -0.31 0.00 0.00 175.10 174.57 2ker s GLU 34 N 0.44 2.99 0.48 4.82 2.12 0.19 -4.21 118.70 125.53 2ker s GLU 34 Ca -0.07 -0.95 -0.02 0.00 0.36 0.00 0.00 54.97 54.30 2ker s GLU 34 Cb -0.11 -3.57 -0.00 0.00 0.26 0.00 0.00 34.13 30.71 2ker s GLU 34 CO 0.01 -0.56 0.73 0.71 -0.54 0.00 0.00 175.26 175.61 2ker s TYR 35 N 1.53 3.27 0.63 5.30 1.51 -1.26 -1.17 117.35 127.17 2ker s TYR 35 Ca 0.02 0.38 0.26 0.00 -1.01 0.00 0.00 57.07 56.73 2ker s TYR 35 Cb -0.18 -2.40 1.34 0.00 -0.11 0.00 0.00 41.96 40.61 2ker s TYR 35 CO 0.05 -0.45 1.76 1.15 -1.11 0.00 0.00 175.55 176.95 2ker h THR 36 N 0.25 0.13 0.00 -0.71 2.02 -0.51 -3.38 112.91 110.72 2ker h THR 36 Ca -0.46 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.72 2ker h THR 36 Cb 1.25 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 68.18 2ker h THR 36 CO 0.59 0.00 0.00 1.41 0.37 0.00 0.00 175.52 177.89 2ker n HIS 37 N -3.17 0.00 0.00 3.16 8.25 -1.26 -4.92 115.22 117.28 2ker n HIS 37 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 2ker n HIS 37 Cb 0.64 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.75 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 3.55 -0.18 3.75 -1.41 0.00 -1.26 -5.13 105.19 104.51 2ker n GLY 38 Ca 0.00 0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 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 4.24 -0.18 1.61 -0.44 -1.26 -4.92 119.66 118.71 2ker s GLN 39 Ca 0.00 2.36 -0.29 0.00 -2.50 0.00 0.00 55.36 54.93 2ker s GLN 39 Cb 0.00 -3.08 -0.02 0.00 -1.64 0.00 0.00 33.01 28.27 2ker s GLN 39 CO 0.00 -0.44 1.40 -0.46 0.50 0.00 0.00 175.29 176.29 2ker s TRP 40 N -0.23 2.54 0.00 1.67 -0.00 -1.26 -4.37 118.94 117.28 2ker s TRP 40 Ca 0.58 0.76 0.00 0.00 -0.00 0.00 0.00 56.10 57.44 2ker s TRP 40 Cb -0.43 -3.73 0.00 0.00 -0.00 0.00 0.00 33.47 29.31 2ker s TRP 40 CO 0.47 -2.30 0.00 0.00 -0.00 0.00 0.00 176.95 175.12 2ker n ALA 41 N 7.18 0.00 -0.81 5.86 0.00 -1.26 -5.06 120.51 126.41 2ker n ALA 41 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 2ker n ALA 41 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 2ker n ALA 41 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2ker n PRO 42 N -1.40 0.00 0.00 0.00 -0.01 -1.26 -4.51 135.00 127.82 2ker n PRO 42 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.49 2ker n PRO 42 Cb 0.00 -0.86 0.00 0.00 -0.01 0.00 0.00 33.50 32.63 2ker n PRO 42 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 2ker s ARG 44 N 0.00 0.35 0.00 0.00 1.81 0.20 -4.46 118.95 116.85 2ker s ARG 44 Ca 0.00 0.85 -0.30 0.00 -1.72 0.00 0.00 55.73 54.56 2ker s ARG 44 Cb 0.00 0.08 -0.03 0.00 -0.45 0.00 0.00 34.95 34.54 2ker s ARG 44 CO 0.00 -0.19 0.98 0.54 -0.68 0.00 0.00 175.30 175.95 2ker s VAL 45 N 1.80 4.86 0.17 3.52 0.11 -1.26 0.03 120.40 129.62 2ker s VAL 45 Ca -0.07 2.06 -0.08 0.00 -2.93 0.00 0.00 61.98 60.96 2ker s VAL 45 Cb -0.10 -4.32 -0.06 0.00 -1.53 0.00 0.00 36.38 30.37 2ker s VAL 45 CO -0.12 0.16 0.46 -0.51 -3.33 0.00 0.00 175.10 171.76 2ker s ILE 46 N 0.99 5.05 0.27 7.04 1.10 0.24 -4.89 121.20 130.98 2ker s ILE 46 Ca 0.52 0.31 -0.19 0.00 -0.51 0.00 0.00 60.65 60.78 2ker s ILE 46 Cb -0.21 -3.63 -0.09 0.00 0.15 0.00 0.00 42.46 38.68 2ker s ILE 46 CO 0.28 0.05 0.76 -1.61 -2.11 0.00 0.00 174.94 172.31 2ker s GLU 47 N -2.56 4.23 -0.91 3.50 2.02 -1.26 -2.38 118.70 121.34 2ker s GLU 47 Ca 0.42 0.89 -0.20 0.00 0.02 0.00 0.00 54.97 56.10 2ker s GLU 47 Cb -0.12 -2.74 -0.24 0.00 0.10 0.00 0.00 34.13 31.13 2ker s GLU 47 CO 0.22 0.31 2.40 -2.30 0.02 0.00 0.00 175.26 175.90 2ker n PRO 48 N 0.39 0.19 -0.36 0.39 -0.02 -1.26 0.56 135.00 134.89 2ker n PRO 48 Ca -0.00 -0.12 0.00 0.00 -2.02 0.00 0.00 63.50 61.36 2ker n PRO 48 Cb 0.52 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 32.18 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 6.07 0.80 2.63 -1.23 0.00 -1.07 -4.87 105.19 107.51 2ker n GLY 49 Ca 0.61 -0.20 -0.14 0.00 0.00 0.00 0.00 46.02 46.29 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 1.49 3.59 -0.02 0.00 0.19 -4.63 105.19 103.45 2ker n GLY 50 Ca 0.00 -2.13 -0.25 0.00 0.00 0.00 0.00 46.02 43.64 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 -1.63 2.48 -0.14 1.61 0.52 -1.24 -1.66 118.94 118.88 2ker s TRP 51 Ca 0.42 -0.49 -0.04 0.00 0.02 0.00 0.00 56.10 56.02 2ker s TRP 51 Cb -0.03 -1.47 0.07 0.00 -1.15 0.00 0.00 33.47 30.88 2ker s TRP 51 CO 0.27 0.52 0.18 0.00 0.02 0.00 0.00 176.95 177.94 2ker s ALA 52 N -2.58 -0.17 0.00 0.98 0.00 -0.95 -4.78 121.76 114.26 2ker s ALA 52 Ca 0.34 0.39 -0.27 0.00 0.00 0.00 0.00 51.96 52.42 2ker s ALA 52 Cb 0.02 -1.03 -0.04 0.00 0.00 0.00 0.00 23.12 22.07 2ker s ALA 52 CO 0.18 -0.85 0.87 0.99 0.00 0.00 0.00 175.76 176.94 2ker s THR 53 N 2.30 4.86 0.01 0.00 2.01 -1.26 -2.98 115.64 120.58 2ker s THR 53 Ca 0.04 1.82 0.00 0.00 0.31 0.00 0.00 61.69 63.87 2ker s THR 53 Cb -0.14 -4.21 -0.01 0.00 0.01 0.00 0.00 72.50 68.15 2ker s THR 53 CO -0.08 0.23 -0.02 -0.36 -0.69 0.00 0.00 174.62 173.70 2ker s PHE 54 N 0.68 0.17 -0.51 4.92 0.08 -1.02 -4.94 117.98 117.34 2ker s PHE 54 Ca 0.45 -0.29 -0.26 0.00 0.12 0.00 0.00 56.93 56.95 2ker s PHE 54 Cb -0.20 -0.12 -0.07 0.00 -0.57 0.00 0.00 43.02 42.05 2ker s PHE 54 CO 0.25 -0.10 2.41 0.00 -0.10 0.00 0.00 175.22 177.68 2ker s ALA 55 N -0.79 1.55 1.09 5.36 0.00 -1.26 -0.36 121.76 127.35 2ker s ALA 55 Ca -0.08 -0.04 -0.08 0.00 0.00 0.00 0.00 51.96 51.77 2ker s ALA 55 Cb -0.05 -4.37 0.11 0.00 0.00 0.00 0.00 23.12 18.81 2ker s ALA 55 CO -0.01 -4.59 0.40 0.41 0.00 0.00 0.00 175.76 171.98 2ker n GLY 56 N 6.06 -2.54 3.43 0.00 0.00 -0.67 -4.23 105.19 107.25 2ker n GLY 56 Ca 0.38 -1.47 -0.44 0.00 0.00 0.00 0.00 46.02 44.48 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 -1.74 3.51 0.12 1.61 1.13 -0.12 -4.55 117.35 117.33 2ker s TYR 57 Ca 0.26 -1.97 -0.31 0.00 -1.41 0.00 0.00 57.07 53.64 2ker s TYR 57 Cb -0.03 -4.20 -0.08 0.00 -1.10 0.00 0.00 41.96 36.55 2ker s TYR 57 CO 0.20 -1.33 1.58 0.78 -2.51 0.00 0.00 175.55 174.26 2ker h GLY 58 N 9.36 -0.83 0.00 5.49 0.00 -1.77 -3.41 103.07 111.91 2ker h GLY 58 Ca 0.23 0.56 0.00 0.00 0.00 0.00 0.00 47.33 48.12 2ker h GLY 58 CO 1.13 -0.23 0.00 -1.30 0.00 0.00 0.00 176.54 176.14 2ker n THR 59 N -5.45 0.00 -4.08 4.70 -2.24 -1.26 -4.79 114.28 101.17 2ker n THR 59 Ca -0.05 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.65 2ker n THR 59 Cb 0.37 -0.37 -0.10 0.00 -2.10 0.00 0.00 70.33 68.14 2ker n THR 59 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2ker s ASP 60 N -4.26 0.39 0.00 3.42 1.01 -1.26 -5.10 116.67 110.87 2ker s ASP 60 Ca 0.00 -1.01 0.00 0.00 0.71 0.00 0.00 52.55 52.25 2ker s ASP 60 Cb 0.00 0.25 0.00 0.00 1.01 0.00 0.00 42.92 44.18 2ker s ASP 60 CO 0.00 -0.66 0.00 0.61 0.21 0.00 0.00 175.17 175.33 2ker n GLY 61 N 0.03 0.17 3.77 0.21 0.00 -1.26 -5.02 105.19 103.09 2ker n GLY 61 Ca -0.12 -1.56 -0.38 0.00 0.00 0.00 0.00 46.02 43.96 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 -4.00 7.10 -0.07 1.61 0.01 -1.26 -4.72 114.94 113.61 2ker s ASN 62 Ca 0.00 2.06 -0.03 0.00 -0.71 0.00 0.00 52.86 54.19 2ker s ASN 62 Cb 0.00 -2.60 0.04 0.00 0.41 0.00 0.00 41.25 39.10 2ker s ASN 62 CO 0.00 -0.25 0.07 -0.47 -1.51 0.00 0.00 177.10 174.94 2ker s TYR 63 N -1.45 0.08 0.16 2.20 5.04 -1.26 -3.89 117.35 118.22 2ker s TYR 63 Ca 0.51 0.16 -0.31 0.00 -2.44 0.00 0.00 57.07 54.98 2ker s TYR 63 Cb -0.25 -0.52 -0.10 0.00 0.35 0.00 0.00 41.96 41.45 2ker s TYR 63 CO 0.31 -0.25 1.62 0.54 -1.34 0.00 0.00 175.55 176.43 2ker s VAL 64 N 2.17 2.57 0.00 3.14 0.11 -1.26 0.27 120.40 127.39 2ker s VAL 64 Ca 0.04 0.36 0.00 0.00 -2.93 0.00 0.00 61.98 59.45 2ker s VAL 64 Cb -0.13 -3.23 0.00 0.00 -1.53 0.00 0.00 36.38 31.49 2ker s VAL 64 CO -0.04 0.02 0.40 1.07 -3.33 0.00 0.00 175.10 173.22 2ker n THR 65 N 4.11 0.00 -3.19 5.04 5.66 -0.32 -4.91 114.28 120.67 2ker n THR 65 Ca 0.15 0.00 0.01 0.00 -3.05 0.00 0.00 64.05 61.16 2ker n THR 65 Cb 0.38 0.74 -0.02 0.00 -1.55 0.00 0.00 70.33 69.89 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 -0.04 -0.97 0.03 1.09 0.00 -0.98 -4.97 107.32 101.49 2ker s GLY 66 Ca 0.00 1.40 -0.29 0.00 0.00 0.00 0.00 44.72 45.84 2ker s GLY 66 CO 0.00 3.35 0.91 1.08 0.00 0.00 0.00 173.10 178.44 2ker s LEU 67 N 2.79 4.41 0.03 0.66 1.43 -1.26 0.55 118.68 127.29 2ker s LEU 67 Ca 0.16 1.62 0.07 0.00 -1.03 0.00 0.00 54.13 54.95 2ker s LEU 67 Cb -0.14 -3.48 -0.02 0.00 0.03 0.00 0.00 46.19 42.59 2ker s LEU 67 CO -0.22 -0.15 -0.21 -1.00 0.23 0.00 0.00 176.35 175.00 2ker s HIS 68 N 0.56 1.81 -0.11 0.29 3.76 0.17 -2.76 115.29 119.00 2ker s HIS 68 Ca 0.47 -0.37 -0.30 0.00 -0.15 0.00 0.00 55.06 54.72 2ker s HIS 68 Cb -0.21 -1.09 -0.01 0.00 1.11 0.00 0.00 32.58 32.37 2ker s HIS 68 CO 0.27 0.07 1.03 0.99 -0.85 0.00 0.00 174.74 176.25 2ker s THR 69 N -0.74 4.72 0.70 1.30 2.01 -1.26 0.93 115.64 123.30 2ker s THR 69 Ca 0.07 1.99 -0.03 0.00 0.31 0.00 0.00 61.69 64.04 2ker s THR 69 Cb -0.09 -4.28 0.10 0.00 0.01 0.00 0.00 72.50 68.24 2ker s THR 69 CO 0.01 -0.01 0.98 0.00 -0.69 0.00 0.00 174.62 174.92 2ker s ASP 71 N -4.63 2.21 -0.01 0.00 -4.77 -1.26 -4.59 116.67 103.62 2ker s ASP 71 Ca 0.64 -0.51 -0.00 0.00 -3.30 0.00 0.00 52.55 49.38 2ker s ASP 71 Cb -0.08 -0.17 -0.00 0.00 -1.09 0.00 0.00 42.92 41.58 2ker s ASP 71 CO 0.44 0.11 0.21 -2.65 0.70 0.00 0.00 175.17 173.98 2ker n PRO 72 N 1.82 0.00 -3.00 2.11 -0.01 -1.26 -4.72 135.00 129.94 2ker n PRO 72 Ca -0.18 0.00 0.02 0.00 -0.01 0.00 0.00 63.50 63.33 2ker n PRO 72 Cb 0.54 -0.20 -0.00 0.00 -0.01 0.00 0.00 33.50 33.83 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 -3.44 -0.03 3.55 0.00 -1.26 -5.15 121.76 115.44 2ker s ALA 73 Ca 0.01 0.83 -0.30 0.00 0.00 0.00 0.00 51.96 52.50 2ker s ALA 73 Cb -0.01 -2.86 -0.03 0.00 0.00 0.00 0.00 23.12 20.22 2ker s ALA 73 CO 0.00 -2.32 1.02 0.95 0.00 0.00 0.00 175.76 175.42 2ker s THR 74 N 2.03 4.74 -1.06 0.00 -4.23 -1.26 -4.91 115.64 110.96 2ker s THR 74 Ca 0.16 1.98 -0.22 0.00 -1.18 0.00 0.00 61.69 62.43 2ker s THR 74 Cb -0.01 -4.27 -0.09 0.00 1.34 0.00 0.00 72.50 69.47 2ker s THR 74 CO -0.13 0.10 1.93 -0.81 -0.54 0.00 0.00 174.62 175.17 2ker n PRO 75 N 4.30 1.79 0.08 3.99 -0.04 -1.26 -4.60 135.00 139.25 2ker n PRO 75 Ca 0.07 -2.33 -0.02 0.00 -0.04 0.00 0.00 63.50 61.18 2ker n PRO 75 Cb 0.50 -3.39 -0.06 0.00 -0.04 0.00 0.00 33.50 30.51 2ker n PRO 75 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2ker h SER 76 N 8.63 0.00 -2.37 3.54 4.64 -1.97 -3.50 113.55 122.52 2ker h SER 76 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 2ker h SER 76 Cb 0.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 2ker h SER 76 CO 1.56 0.73 0.00 0.61 -0.87 0.00 0.00 176.83 178.86 2ker n GLY 77 N 1.33 3.54 0.00 -0.77 0.00 -1.26 -5.31 105.19 102.72 2ker n GLY 77 Ca -0.02 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.39 2ker n GLY 77 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65