#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2psm s PRO 5 N -2.64 -0.23 0.62 0.00 0.04 -1.26 -4.93 135.00 126.60 2psm s PRO 5 Ca 0.49 -0.35 -0.19 0.00 0.04 0.00 0.00 61.00 61.00 2psm s PRO 5 Cb -0.12 -1.74 -0.02 0.00 0.04 0.00 0.00 34.50 32.66 2psm s PRO 5 CO 0.19 -3.01 1.29 -2.14 0.04 0.00 0.00 177.00 173.37 2psm s PRO 6 N -5.75 2.70 0.71 0.56 0.02 -1.26 -4.91 135.00 127.07 2psm s PRO 6 Ca 0.74 2.05 -0.11 0.00 0.02 0.00 0.00 61.00 63.69 2psm s PRO 6 Cb -0.05 -1.91 0.02 0.00 0.02 0.00 0.00 34.50 32.57 2psm s PRO 6 CO 0.54 -1.48 1.07 -1.25 -0.33 0.00 0.00 177.00 175.56 2psm s PRO 7 N -3.31 2.83 0.75 5.54 0.04 -1.26 -5.02 135.00 134.57 2psm s PRO 7 Ca 0.80 0.78 -0.11 0.00 0.04 0.00 0.00 61.00 62.52 2psm s PRO 7 Cb -0.37 -1.99 0.04 0.00 0.04 0.00 0.00 34.50 32.22 2psm s PRO 7 CO 0.39 -1.13 1.08 0.14 0.04 0.00 0.00 177.00 177.52 2psm s VAL 8 N -3.13 3.59 -0.04 -0.36 -7.23 -1.26 -5.02 120.40 106.95 2psm s VAL 8 Ca 0.58 0.52 -0.13 0.00 -1.81 0.00 0.00 61.98 61.14 2psm s VAL 8 Cb -0.13 -3.21 -0.05 0.00 0.56 0.00 0.00 36.38 33.55 2psm s VAL 8 CO 0.54 -0.68 0.34 -0.94 -0.31 0.00 0.00 175.10 174.06 2psm s SER 9 N -3.75 6.70 -0.07 4.85 1.04 -1.26 -5.04 113.70 116.16 2psm s SER 9 Ca 0.59 0.83 0.01 0.00 0.48 0.00 0.00 55.95 57.86 2psm s SER 9 Cb -0.15 -2.21 -0.03 0.00 0.10 0.00 0.00 66.02 63.74 2psm s SER 9 CO 0.55 0.32 -0.07 -0.63 0.98 0.00 0.00 173.24 174.40 2psm s ILE 10 N -0.95 3.71 0.13 -1.02 -1.09 -1.26 -5.08 121.20 115.64 2psm s ILE 10 Ca 0.21 -0.48 -0.31 0.00 -2.23 0.00 0.00 60.65 57.85 2psm s ILE 10 Cb -0.15 -2.52 -0.09 0.00 -1.58 0.00 0.00 42.46 38.12 2psm s ILE 10 CO 0.11 0.60 1.61 -0.70 -1.23 0.00 0.00 174.94 175.32 2psm s GLU 11 N -0.79 4.21 -0.94 2.79 2.12 -1.26 -2.59 118.70 122.23 2psm s GLU 11 Ca 0.12 2.36 -0.00 0.00 0.36 0.00 0.00 54.97 57.80 2psm s GLU 11 Cb -0.11 -3.33 0.00 0.00 0.26 0.00 0.00 34.13 30.95 2psm s GLU 11 CO 0.01 -0.66 0.02 0.72 -0.54 0.00 0.00 175.26 174.81 2psm n HIS 12 N 4.63 -0.56 -3.79 5.30 8.25 -1.26 -4.40 115.22 123.39 2psm n HIS 12 Ca 0.15 0.02 -0.10 0.00 -0.26 0.00 0.00 57.72 57.52 2psm n HIS 12 Cb 0.39 -2.60 -0.07 0.00 1.12 0.00 0.00 29.99 28.83 2psm n HIS 12 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2psm s ALA 13 N -2.57 -0.49 0.19 -1.41 0.00 -1.07 -0.45 121.76 115.96 2psm s ALA 13 Ca 0.01 -0.27 0.02 0.00 0.00 0.00 0.00 51.96 51.72 2psm s ALA 13 Cb -0.00 0.41 -0.05 0.00 0.00 0.00 0.00 23.12 23.48 2psm s ALA 13 CO 0.01 -0.46 0.02 -0.51 0.00 0.00 0.00 175.76 174.82 2psm s ASP 14 N -2.42 1.22 -0.17 0.00 1.11 -0.52 -4.53 116.67 111.36 2psm s ASP 14 Ca -0.01 -1.22 -0.14 0.00 0.18 0.00 0.00 52.55 51.36 2psm s ASP 14 Cb 0.01 0.13 0.05 0.00 1.07 0.00 0.00 42.92 44.18 2psm s ASP 14 CO -0.07 -0.60 0.45 -0.51 1.18 0.00 0.00 175.17 175.62 2psm s ILE 15 N -3.67 -0.01 -0.36 0.77 2.07 -1.26 -0.45 121.20 118.29 2psm s ILE 15 Ca 0.27 0.02 0.03 0.00 -1.41 0.00 0.00 60.65 59.56 2psm s ILE 15 Cb 0.06 -0.64 0.11 0.00 0.13 0.00 0.00 42.46 42.12 2psm s ILE 15 CO 0.06 0.01 0.09 0.00 -1.91 0.00 0.00 174.94 173.19 2psm s ARG 16 N 0.53 1.45 -0.10 3.50 1.04 -1.26 -5.07 118.95 119.04 2psm s ARG 16 Ca -0.02 -1.89 -0.30 0.00 -1.04 0.00 0.00 55.73 52.48 2psm s ARG 16 Cb -0.04 -3.06 -0.03 0.00 -2.04 0.00 0.00 34.95 29.78 2psm s ARG 16 CO -0.03 -0.98 1.35 0.08 -0.04 0.00 0.00 175.30 175.68 2psm s VAL 17 N 0.80 4.05 -0.04 4.99 1.01 -1.26 -4.91 120.40 125.04 2psm s VAL 17 Ca 0.12 1.32 -0.01 0.00 0.00 0.00 0.00 61.98 63.42 2psm s VAL 17 Cb -0.20 -3.85 -0.26 0.00 0.00 0.00 0.00 36.38 32.06 2psm s VAL 17 CO -0.09 -0.08 0.69 0.07 0.00 0.00 0.00 175.10 175.70 2psm h LYS 18 N 8.25 0.20 -3.70 2.72 2.10 -1.98 -3.46 116.57 120.69 2psm h LYS 18 Ca -0.32 -0.34 -0.40 0.00 -2.00 0.00 0.00 60.65 57.59 2psm h LYS 18 Cb 1.14 0.13 -0.36 0.00 -0.90 0.00 0.00 32.23 32.23 2psm h LYS 18 CO 0.94 1.01 -0.76 1.21 -2.00 0.00 0.00 179.45 179.85 2psm s ASN 19 N -6.81 1.09 0.00 7.07 2.47 -1.26 -5.01 114.94 112.49 2psm s ASN 19 Ca -0.12 -0.05 0.26 0.00 0.42 0.00 0.00 52.86 53.37 2psm s ASN 19 Cb 0.07 -0.34 0.53 0.00 -1.45 0.00 0.00 41.25 40.07 2psm s ASN 19 CO 0.82 -0.15 1.45 -1.22 -3.72 0.00 0.00 177.10 174.28 2psm n TYR 20 N 4.71 0.00 -1.82 0.43 4.01 -1.26 -4.81 117.16 118.41 2psm n TYR 20 Ca -0.15 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.27 2psm n TYR 20 Cb 0.50 -0.01 0.03 0.00 -0.31 0.00 0.00 39.34 39.56 2psm n TYR 20 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 2psm s SER 21 N -2.05 5.59 0.34 7.72 0.01 -1.26 -0.70 113.70 123.36 2psm s SER 21 Ca 0.31 1.72 -0.28 0.00 1.31 0.00 0.00 55.95 59.01 2psm s SER 21 Cb 0.20 -2.52 -0.12 0.00 0.21 0.00 0.00 66.02 63.80 2psm s SER 21 CO 0.34 -1.30 1.39 0.52 0.41 0.00 0.00 173.24 174.59 2psm n VAL 22 N -2.55 1.85 -0.28 3.43 0.31 -1.26 -1.71 118.33 118.12 2psm n VAL 22 Ca 0.08 -0.46 0.00 0.00 -0.01 0.00 0.00 64.34 63.95 2psm n VAL 22 Cb 0.53 -1.73 0.00 0.00 -0.91 0.00 0.00 33.84 31.74 2psm n VAL 22 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2psm n ASN 23 N 0.87 0.00 -4.77 4.52 3.02 0.15 -5.00 115.26 114.05 2psm n ASN 23 Ca 0.04 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.19 2psm n ASN 23 Cb 0.37 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.51 2psm n ASN 23 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2psm s SER 24 N -3.27 6.92 -0.21 6.41 0.15 -0.70 -4.79 113.70 118.23 2psm s SER 24 Ca 0.00 2.53 0.01 0.00 0.70 0.00 0.00 55.95 59.19 2psm s SER 24 Cb 0.00 -2.64 0.03 0.00 -1.71 0.00 0.00 66.02 61.70 2psm s SER 24 CO 0.00 -0.41 -0.16 -0.13 1.20 0.00 0.00 173.24 173.74 2psm s ARG 25 N -1.71 2.83 0.30 5.44 0.52 -1.26 -1.04 118.95 124.03 2psm s ARG 25 Ca 0.48 -0.95 0.11 0.00 -0.52 0.00 0.00 55.73 54.84 2psm s ARG 25 Cb -0.37 -2.69 -0.06 0.00 0.52 0.00 0.00 34.95 32.35 2psm s ARG 25 CO 0.48 -0.31 -0.15 -1.21 0.02 0.00 0.00 175.30 174.13 2psm s GLU 26 N 1.26 1.71 -0.02 3.54 0.41 -0.55 -5.00 118.70 120.05 2psm s GLU 26 Ca 0.02 -1.82 0.01 0.00 -0.41 0.00 0.00 54.97 52.76 2psm s GLU 26 Cb -0.15 -1.69 0.01 0.00 -1.78 0.00 0.00 34.13 30.53 2psm s GLU 26 CO -0.10 0.24 -0.03 1.03 -0.49 0.00 0.00 175.26 175.91 2psm s ARG 27 N -3.56 0.44 0.70 1.61 0.52 -1.26 -1.70 118.95 115.70 2psm s ARG 27 Ca 0.31 -0.09 -0.12 0.00 -0.52 0.00 0.00 55.73 55.31 2psm s ARG 27 Cb -0.02 -0.49 0.02 0.00 0.52 0.00 0.00 34.95 34.98 2psm s ARG 27 CO 0.15 -0.00 1.08 0.71 0.02 0.00 0.00 175.30 177.25 2psm s TYR 28 N 0.41 2.86 -0.11 -0.53 2.02 0.46 -4.66 117.35 117.81 2psm s TYR 28 Ca -0.04 1.49 -0.00 0.00 -0.37 0.00 0.00 57.07 58.15 2psm s TYR 28 Cb -0.08 -2.99 0.02 0.00 -0.40 0.00 0.00 41.96 38.52 2psm s TYR 28 CO -0.01 -1.45 -0.07 0.08 -1.57 0.00 0.00 175.55 172.53 2psm s VAL 29 N -2.83 0.94 0.43 0.71 1.01 0.41 -4.84 120.40 116.23 2psm s VAL 29 Ca 0.61 -0.24 -0.25 0.00 0.00 0.00 0.00 61.98 62.10 2psm s VAL 29 Cb -0.16 -0.98 -0.08 0.00 0.00 0.00 0.00 36.38 35.16 2psm s VAL 29 CO 0.51 0.35 1.32 0.00 0.00 0.00 0.00 175.10 177.28 2psm s ASN 31 N -0.76 4.22 0.20 0.00 0.01 0.41 -4.85 114.94 114.17 2psm s ASN 31 Ca 0.59 2.22 -0.33 0.00 -0.71 0.00 0.00 52.86 54.64 2psm s ASN 31 Cb -0.38 -2.57 -0.14 0.00 0.41 0.00 0.00 41.25 38.57 2psm s ASN 31 CO 0.49 -2.24 1.51 -0.24 -1.51 0.00 0.00 177.10 175.12 2psm n SER 32 N -2.93 3.02 0.00 -1.22 2.88 -1.26 -0.87 113.62 113.24 2psm n SER 32 Ca 0.12 1.11 0.00 0.00 -1.33 0.00 0.00 58.87 58.77 2psm n SER 32 Cb 0.51 -1.44 0.00 0.00 -0.75 0.00 0.00 64.21 62.53 2psm n SER 32 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2psm n GLY 33 N 2.86 0.46 3.45 0.46 0.00 -1.26 -5.06 105.19 106.09 2psm n GLY 33 Ca 0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.89 2psm n GLY 33 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2psm s PHE 34 N -2.13 2.35 0.02 1.61 0.08 -0.05 -0.88 117.98 118.99 2psm s PHE 34 Ca 0.00 -0.34 0.05 0.00 0.12 0.00 0.00 56.93 56.76 2psm s PHE 34 Cb 0.00 -1.17 -0.02 0.00 -0.57 0.00 0.00 43.02 41.27 2psm s PHE 34 CO 0.00 0.50 -0.14 0.15 -0.10 0.00 0.00 175.22 175.63 2psm s LYS 35 N -2.68 0.97 0.07 0.44 -0.14 0.29 -4.65 119.74 114.04 2psm s LYS 35 Ca 0.21 -0.66 -0.31 0.00 -1.36 0.00 0.00 55.97 53.86 2psm s LYS 35 Cb -0.08 -0.96 -0.09 0.00 -1.68 0.00 0.00 37.83 35.02 2psm s LYS 35 CO 0.11 0.25 1.79 0.50 -0.76 0.00 0.00 175.35 177.23 2psm s ARG 36 N -0.85 4.16 0.29 1.68 3.52 -1.26 -0.95 118.95 125.54 2psm s ARG 36 Ca 0.03 2.48 -0.29 0.00 -0.13 0.00 0.00 55.73 57.81 2psm s ARG 36 Cb -0.07 -3.74 -0.10 0.00 -1.56 0.00 0.00 34.95 29.48 2psm s ARG 36 CO 0.01 -0.83 1.39 0.21 -0.81 0.00 0.00 175.30 175.27 2psm s LYS 37 N 3.16 4.29 0.27 5.12 2.20 0.11 -4.90 119.74 129.98 2psm s LYS 37 Ca 0.80 2.29 -0.30 0.00 -0.36 0.00 0.00 55.97 58.39 2psm s LYS 37 Cb -0.42 -3.08 -0.13 0.00 -1.51 0.00 0.00 37.83 32.68 2psm s LYS 37 CO 0.36 -0.34 1.42 0.00 -0.36 0.00 0.00 175.35 176.43 2psm n ALA 38 N 1.62 1.42 0.00 3.13 0.00 -1.26 -1.52 120.51 123.89 2psm n ALA 38 Ca 0.04 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.87 2psm n ALA 38 Cb 0.41 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.55 2psm n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2psm n GLY 39 N 1.92 2.64 3.88 0.00 0.00 -1.26 -5.04 105.19 107.33 2psm n GLY 39 Ca 0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 2psm n GLY 39 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2psm s THR 40 N -2.37 4.84 0.01 2.61 -4.23 -0.58 -5.05 115.64 110.87 2psm s THR 40 Ca 0.00 -1.05 0.06 0.00 -1.18 0.00 0.00 61.69 59.52 2psm s THR 40 Cb 0.00 -3.54 -0.03 0.00 1.34 0.00 0.00 72.50 70.27 2psm s THR 40 CO 0.00 -0.21 -0.16 -0.55 -0.54 0.00 0.00 174.62 173.16 2psm s SER 41 N -3.50 3.89 0.00 3.99 0.15 -1.26 -4.81 113.70 112.16 2psm s SER 41 Ca 0.33 -0.33 0.27 0.00 0.70 0.00 0.00 55.95 56.92 2psm s SER 41 Cb -0.10 -0.71 0.91 0.00 -1.71 0.00 0.00 66.02 64.42 2psm s SER 41 CO 0.26 0.29 1.66 0.35 1.20 0.00 0.00 173.24 177.01 2psm n THR 42 N 1.84 0.00 -3.23 6.45 -2.24 -1.26 -1.75 114.28 114.09 2psm n THR 42 Ca -0.16 -0.24 -0.38 0.00 -2.27 0.00 0.00 64.05 60.99 2psm n THR 42 Cb 0.52 0.56 -0.06 0.00 -2.10 0.00 0.00 70.33 69.25 2psm n THR 42 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2psm s LEU 43 N -2.11 4.51 0.00 3.22 2.96 -1.26 -0.40 118.68 125.60 2psm s LEU 43 Ca 0.34 1.31 0.01 0.00 -0.22 0.00 0.00 54.13 55.57 2psm s LEU 43 Cb 0.21 -3.02 -0.00 0.00 0.50 0.00 0.00 46.19 43.87 2psm s LEU 43 CO 0.38 0.24 -0.02 0.27 -1.32 0.00 0.00 176.35 175.89 2psm s ILE 44 N -1.17 0.16 0.02 6.68 -4.36 -0.69 -4.63 121.20 117.22 2psm s ILE 44 Ca 0.31 -0.18 0.07 0.00 -0.26 0.00 0.00 60.65 60.59 2psm s ILE 44 Cb -0.20 -0.16 -0.02 0.00 1.25 0.00 0.00 42.46 43.34 2psm s ILE 44 CO 0.20 -0.02 -0.20 -0.70 0.24 0.00 0.00 174.94 174.47 2psm s GLU 45 N -0.21 1.44 -0.51 0.37 2.12 -1.26 -1.48 118.70 119.17 2psm s GLU 45 Ca -0.01 -0.82 -0.24 0.00 0.36 0.00 0.00 54.97 54.26 2psm s GLU 45 Cb -0.02 -1.47 0.04 0.00 0.26 0.00 0.00 34.13 32.93 2psm s GLU 45 CO -0.00 0.39 0.88 0.00 -0.54 0.00 0.00 175.26 175.99 2psm s VAL 47 N 3.68 3.38 0.06 0.00 -7.23 -0.55 0.33 120.40 120.07 2psm s VAL 47 Ca 0.30 -0.92 -0.07 0.00 -1.81 0.00 0.00 61.98 59.49 2psm s VAL 47 Cb -0.12 -2.46 -0.05 0.00 0.56 0.00 0.00 36.38 34.30 2psm s VAL 47 CO 0.21 0.36 0.33 -0.51 -0.31 0.00 0.00 175.10 175.18 2psm s ILE 48 N -0.99 5.22 -0.70 -0.62 1.10 -1.26 -1.52 121.20 122.43 2psm s ILE 48 Ca 0.17 0.18 -0.14 0.00 -0.51 0.00 0.00 60.65 60.34 2psm s ILE 48 Cb -0.11 -3.61 0.18 0.00 0.15 0.00 0.00 42.46 39.08 2psm s ILE 48 CO 0.07 0.25 0.64 0.21 -2.11 0.00 0.00 174.94 174.00 2psm s ASN 49 N -1.95 6.45 0.42 4.50 3.84 -0.50 -4.91 114.94 122.78 2psm s ASN 49 Ca 0.33 -2.35 0.19 0.00 0.21 0.00 0.00 52.86 51.24 2psm s ASN 49 Cb -0.13 -2.18 1.12 0.00 -0.55 0.00 0.00 41.25 39.50 2psm s ASN 49 CO 0.19 -0.67 1.83 0.11 -2.79 0.00 0.00 177.10 175.77 2psm h LYS 50 N 8.16 0.37 -0.76 0.43 1.57 -1.96 0.54 116.57 124.92 2psm h LYS 50 Ca -0.06 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.71 2psm h LYS 50 Cb 1.06 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 33.25 2psm h LYS 50 CO 0.86 0.24 0.51 -0.97 -0.57 0.00 0.00 179.45 179.52 2psm h ASN 51 N 0.38 0.88 0.00 0.86 -1.24 -1.96 -3.25 115.58 111.24 2psm h ASN 51 Ca 0.52 -0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.50 2psm h ASN 51 Cb 1.34 -0.22 0.00 0.00 0.73 0.00 0.00 38.32 40.17 2psm h ASN 51 CO -0.21 0.64 0.00 0.35 -1.29 0.00 0.00 177.43 176.92 2psm n THR 52 N -4.42 0.22 -1.81 -3.57 -2.24 -0.44 -5.00 114.28 97.02 2psm n THR 52 Ca 0.08 -0.58 -0.20 0.00 -2.27 0.00 0.00 64.05 61.09 2psm n THR 52 Cb 0.03 0.94 -0.06 0.00 -2.10 0.00 0.00 70.33 69.14 2psm n THR 52 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2psm n ASN 53 N -0.11 -5.49 -4.42 3.42 4.13 0.18 -4.98 115.26 107.98 2psm n ASN 53 Ca 0.00 0.35 -0.34 0.00 1.68 0.00 0.00 54.58 56.27 2psm n ASN 53 Cb 0.08 -4.68 -0.13 0.00 -1.54 0.00 0.00 39.78 33.50 2psm n ASN 53 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 2psm s VAL 54 N -2.81 3.53 0.20 2.41 -7.23 -1.20 -4.89 120.40 110.40 2psm s VAL 54 Ca 0.00 -0.48 0.01 0.00 -1.81 0.00 0.00 61.98 59.70 2psm s VAL 54 Cb 0.00 -2.54 -0.04 0.00 0.56 0.00 0.00 36.38 34.37 2psm s VAL 54 CO 0.00 0.49 0.36 0.00 -0.31 0.00 0.00 175.10 175.64 2psm s ALA 55 N 0.55 3.89 0.08 1.32 0.00 -1.26 -1.41 121.76 124.91 2psm s ALA 55 Ca -0.05 -0.97 -0.18 0.00 0.00 0.00 0.00 51.96 50.76 2psm s ALA 55 Cb -0.15 -1.88 0.04 0.00 0.00 0.00 0.00 23.12 21.13 2psm s ALA 55 CO 0.03 0.40 0.43 -3.38 0.00 0.00 0.00 175.76 173.25 2psm s HIS 56 N -1.88 -0.28 0.27 0.00 -3.43 -0.57 -4.58 115.29 104.81 2psm s HIS 56 Ca 0.36 0.16 -0.28 0.00 -0.80 0.00 0.00 55.06 54.50 2psm s HIS 56 Cb -0.11 0.27 -0.09 0.00 -1.43 0.00 0.00 32.58 31.22 2psm s HIS 56 CO 0.29 -0.64 0.93 -1.58 -2.00 0.00 0.00 174.74 171.74 2psm s TRP 57 N -2.97 3.87 0.79 0.38 0.52 -1.26 -1.49 118.94 118.78 2psm s TRP 57 Ca -0.02 1.84 -0.12 0.00 0.02 0.00 0.00 56.10 57.82 2psm s TRP 57 Cb 0.00 -2.94 0.07 0.00 -1.15 0.00 0.00 33.47 29.45 2psm s TRP 57 CO -0.06 0.37 1.14 0.95 0.02 0.00 0.00 176.95 179.37 2psm s THR 58 N -1.34 2.71 -0.18 2.01 -4.23 -0.15 -4.93 115.64 109.53 2psm s THR 58 Ca 0.44 0.27 -0.29 0.00 -1.18 0.00 0.00 61.69 60.93 2psm s THR 58 Cb -0.23 -2.64 -0.01 0.00 1.34 0.00 0.00 72.50 70.96 2psm s THR 58 CO 0.28 -0.26 1.16 -0.89 -0.54 0.00 0.00 174.62 174.37 2psm s THR 59 N -2.53 4.47 0.47 3.99 2.01 -1.26 -4.62 115.64 118.16 2psm s THR 59 Ca 0.67 1.77 -0.22 0.00 0.31 0.00 0.00 61.69 64.22 2psm s THR 59 Cb -0.22 -4.14 -0.08 0.00 0.01 0.00 0.00 72.50 68.07 2psm s THR 59 CO 0.52 -0.14 1.11 -2.16 -0.69 0.00 0.00 174.62 173.25 2psm s PRO 60 N 3.23 3.77 0.00 4.92 0.04 -1.26 -4.95 135.00 140.75 2psm s PRO 60 Ca 0.50 1.60 0.12 0.00 0.04 0.00 0.00 61.00 63.26 2psm s PRO 60 Cb -0.19 -2.29 0.14 0.00 0.04 0.00 0.00 34.50 32.20 2psm s PRO 60 CO 0.12 -0.50 0.95 -1.13 0.04 0.00 0.00 177.00 176.47 2psm n SER 61 N -0.67 2.19 -4.60 6.66 3.41 -1.26 -5.04 113.62 114.31 2psm n SER 61 Ca 0.08 -1.59 -0.45 0.00 -0.26 0.00 0.00 58.87 56.65 2psm n SER 61 Cb 0.50 -0.04 -0.02 0.00 -0.26 0.00 0.00 64.21 64.39 2psm n SER 61 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 2psm n LEU 62 N 0.69 2.01 -3.65 1.04 7.94 -0.72 -4.32 117.00 119.99 2psm n LEU 62 Ca 0.08 1.18 -0.19 0.00 -1.11 0.00 0.00 56.01 55.97 2psm n LEU 62 Cb 0.33 -1.31 -0.16 0.00 0.53 0.00 0.00 43.42 42.81 2psm n LEU 62 CO 0.08 -1.25 -0.28 -0.75 -1.11 0.00 0.00 177.39 174.07 2psm s LYS 63 N -1.41 0.01 -0.33 1.96 2.47 -1.26 -4.96 119.74 116.22 2psm s LYS 63 Ca 0.60 0.38 -0.11 0.00 -1.56 0.00 0.00 55.97 55.28 2psm s LYS 63 Cb -0.70 -0.65 -0.01 0.00 -1.46 0.00 0.00 37.83 35.01 2psm s LYS 63 CO 0.59 -0.39 0.19 0.00 0.16 0.00 0.00 175.35 175.90 2psm s ILE 65 N 1.65 3.21 0.15 0.00 -4.36 -0.12 -4.82 121.20 116.91 2psm s ILE 65 Ca 0.05 -1.65 -0.32 0.00 -0.26 0.00 0.00 60.65 58.47 2psm s ILE 65 Cb -0.17 -3.02 -0.11 0.00 1.25 0.00 0.00 42.46 40.41 2psm s ILE 65 CO 0.08 -0.21 1.79 0.54 0.24 0.00 0.00 174.94 177.38 2psm n ARG 66 N -1.16 2.75 -1.65 0.37 1.74 -1.26 0.11 116.66 117.55 2psm n ARG 66 Ca -0.03 1.00 -0.53 0.00 -0.77 0.00 0.00 57.85 57.52 2psm n ARG 66 Cb 0.61 -2.87 -0.06 0.00 -1.02 0.00 0.00 32.46 29.11 2psm n ARG 66 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2psm n ASP 67 N 5.00 2.75 0.26 0.55 -0.08 -0.06 -4.70 116.55 120.27 2psm n ASP 67 Ca 0.17 0.91 0.10 0.00 -1.51 0.00 0.00 54.79 54.47 2psm n ASP 67 Cb 0.36 -1.25 0.70 0.00 2.34 0.00 0.00 41.12 43.27 2psm n ASP 67 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2psm h PRO 68 N 8.96 0.00 0.00 -0.67 0.11 -1.90 -2.21 132.00 136.29 2psm h PRO 68 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2psm h PRO 68 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 2psm h PRO 68 CO 0.97 0.07 0.00 -1.13 -0.21 0.00 0.00 178.00 177.70 2psm n SER 69 N -4.13 0.00 0.00 -2.05 3.41 -1.26 -5.26 113.62 104.33 2psm n SER 69 Ca -0.03 -0.89 0.00 0.00 -0.26 0.00 0.00 58.87 57.69 2psm n SER 69 Cb 0.15 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 2psm n SER 69 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06