#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2joy s PRO 2 N 0.00 4.03 -0.36 0.03 0.02 -1.26 -5.02 135.00 132.44 2joy s PRO 2 Ca 0.00 1.03 -0.28 0.00 0.02 0.00 0.00 61.00 61.77 2joy s PRO 2 Cb 0.00 -2.15 0.02 0.00 0.02 0.00 0.00 34.50 32.39 2joy s PRO 2 CO 0.00 -0.20 1.03 0.00 -0.33 0.00 0.00 177.00 177.50 2joy s ALA 3 N -2.44 3.41 0.01 -1.55 0.00 -1.26 -4.59 121.76 115.33 2joy s ALA 3 Ca 0.60 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.30 2joy s ALA 3 Cb -0.10 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.36 2joy s ALA 3 CO 0.24 -1.66 0.00 -0.89 0.00 0.00 0.00 175.76 173.46 2joy n ILE 4 N 6.07 -5.23 -3.93 0.00 5.41 -1.26 -5.09 119.36 115.33 2joy n ILE 4 Ca 0.10 0.90 -0.09 0.00 1.00 0.00 0.00 62.75 64.66 2joy n ILE 4 Cb 0.48 -3.79 -0.05 0.00 -0.71 0.00 0.00 39.64 35.56 2joy n ILE 4 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 2joy s GLU 5 N -1.68 1.48 0.26 0.38 -1.05 -1.26 -5.12 118.70 111.72 2joy s GLU 5 Ca 0.00 -1.14 -0.29 0.00 -0.15 0.00 0.00 54.97 53.38 2joy s GLU 5 Cb 0.00 0.48 -0.10 0.00 -0.44 0.00 0.00 34.13 34.08 2joy s GLU 5 CO 0.00 -0.62 1.28 0.14 0.95 0.00 0.00 175.26 177.01 2joy s VAL 6 N -3.97 3.04 0.00 1.83 -7.23 -1.26 -2.84 120.40 109.96 2joy s VAL 6 Ca 0.18 0.95 0.00 0.00 -1.81 0.00 0.00 61.98 61.30 2joy s VAL 6 Cb -0.01 -3.61 0.00 0.00 0.56 0.00 0.00 36.38 33.33 2joy s VAL 6 CO 0.05 0.19 0.00 0.61 -0.31 0.00 0.00 175.10 175.64 2joy n GLY 7 N 1.59 2.37 3.76 2.32 0.00 0.10 -4.68 105.19 110.66 2joy n GLY 7 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 2joy n GLY 7 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2joy s ARG 8 N -0.33 4.42 -0.01 1.61 3.52 -1.13 -0.18 118.95 126.85 2joy s ARG 8 Ca 0.00 0.95 -0.30 0.00 -0.13 0.00 0.00 55.73 56.25 2joy s ARG 8 Cb 0.00 -3.33 -0.03 0.00 -1.56 0.00 0.00 34.95 30.04 2joy s ARG 8 CO 0.00 0.39 0.99 0.42 -0.81 0.00 0.00 175.30 176.29 2joy s ILE 9 N -0.39 4.85 -0.11 4.11 1.01 -0.50 -2.45 121.20 127.72 2joy s ILE 9 Ca 0.35 2.05 -0.00 0.00 0.00 0.00 0.00 60.65 63.05 2joy s ILE 9 Cb -0.20 -4.31 -0.02 0.00 0.01 0.00 0.00 42.46 37.93 2joy s ILE 9 CO 0.21 0.14 -0.11 0.00 0.00 0.00 0.00 174.94 175.19 2joy s VAL 11 N -0.01 5.22 -0.60 0.00 0.11 -0.47 -1.37 120.40 123.29 2joy s VAL 11 Ca -0.02 -0.10 -0.27 0.00 -2.93 0.00 0.00 61.98 58.65 2joy s VAL 11 Cb -0.14 -3.36 0.01 0.00 -1.53 0.00 0.00 36.38 31.36 2joy s VAL 11 CO 0.04 0.44 1.49 -0.75 -3.33 0.00 0.00 175.10 172.99 2joy s LYS 12 N -1.54 3.15 0.00 1.54 2.20 0.80 -2.64 119.74 123.26 2joy s LYS 12 Ca 0.21 0.38 0.13 0.00 -0.36 0.00 0.00 55.97 56.34 2joy s LYS 12 Cb -0.12 -4.19 0.46 0.00 -1.51 0.00 0.00 37.83 32.47 2joy s LYS 12 CO 0.12 -2.13 1.35 1.33 -0.36 0.00 0.00 175.35 175.65 2joy n VAL 13 N 6.85 0.32 -2.24 4.02 0.24 -0.96 -3.63 118.33 122.93 2joy n VAL 13 Ca 0.12 -0.36 -0.38 0.00 -2.04 0.00 0.00 64.34 61.69 2joy n VAL 13 Cb 0.50 0.22 -0.01 0.00 -1.47 0.00 0.00 33.84 33.08 2joy n VAL 13 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2joy s LYS 14 N -1.68 3.85 0.52 7.34 2.20 -1.26 -4.83 119.74 125.88 2joy s LYS 14 Ca 0.24 1.83 -0.22 0.00 -0.36 0.00 0.00 55.97 57.47 2joy s LYS 14 Cb 0.13 -2.51 -0.06 0.00 -1.51 0.00 0.00 37.83 33.87 2joy s LYS 14 CO 0.18 -0.49 1.18 0.41 -0.36 0.00 0.00 175.35 176.27 2joy n GLY 15 N 0.53 0.29 3.45 5.54 0.00 -1.26 -2.41 105.19 111.32 2joy n GLY 15 Ca 0.06 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2joy n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2joy n ARG 16 N -0.67 0.00 -1.59 1.61 5.12 -1.26 -4.67 116.66 115.20 2joy n ARG 16 Ca 0.11 0.00 0.04 0.00 -1.93 0.00 0.00 57.85 56.06 2joy n ARG 16 Cb 0.44 -2.61 0.02 0.00 -1.16 0.00 0.00 32.46 29.15 2joy n ARG 16 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 2joy n GLU 17 N -2.00 0.15 -0.26 5.56 1.02 -1.01 -4.93 120.64 119.17 2joy n GLU 17 Ca 0.00 -2.13 0.00 0.00 -0.02 0.00 0.00 57.16 55.01 2joy n GLU 17 Cb 0.00 -0.14 0.00 0.00 -0.02 0.00 0.00 31.44 31.28 2joy n GLU 17 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2joy n ALA 18 N 0.40 3.08 -1.32 0.62 0.00 -1.11 -2.24 120.51 119.93 2joy n ALA 18 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2joy n ALA 18 Cb 1.12 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 19.44 2joy n ALA 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2joy n GLY 19 N 1.25 -1.77 3.80 0.00 0.00 -1.26 -4.77 105.19 102.44 2joy n GLY 19 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 2joy n GLY 19 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2joy s SER 20 N -0.09 6.66 0.11 1.61 0.15 -0.95 -3.19 113.70 118.00 2joy s SER 20 Ca 0.00 0.78 0.10 0.00 0.70 0.00 0.00 55.95 57.53 2joy s SER 20 Cb 0.00 -2.22 -0.04 0.00 -1.71 0.00 0.00 66.02 62.05 2joy s SER 20 CO 0.00 0.23 -0.25 -0.54 1.20 0.00 0.00 173.24 173.87 2joy s LYS 21 N -0.43 1.54 0.06 5.44 1.02 -1.26 -0.14 119.74 125.97 2joy s LYS 21 Ca 0.21 -1.28 -0.18 0.00 0.02 0.00 0.00 55.97 54.75 2joy s LYS 21 Cb -0.15 -1.95 0.04 0.00 -0.52 0.00 0.00 37.83 35.24 2joy s LYS 21 CO 0.10 0.47 0.42 0.00 -0.92 0.00 0.00 175.35 175.42 2joy s VAL 23 N -2.71 3.50 -0.79 0.00 1.01 0.73 0.02 120.40 122.16 2joy s VAL 23 Ca -0.04 -0.52 -0.26 0.00 0.00 0.00 0.00 61.98 61.16 2joy s VAL 23 Cb -0.00 -2.47 0.02 0.00 0.00 0.00 0.00 36.38 33.93 2joy s VAL 23 CO -0.04 0.55 1.49 -0.63 0.00 0.00 0.00 175.10 176.47 2joy s ILE 24 N -0.17 3.67 -0.14 2.22 1.01 -1.03 -1.65 121.20 125.11 2joy s ILE 24 Ca 0.01 0.04 0.16 0.00 0.00 0.00 0.00 60.65 60.87 2joy s ILE 24 Cb -0.13 -4.68 -0.24 0.00 0.01 0.00 0.00 42.46 37.41 2joy s ILE 24 CO 0.03 -1.62 0.29 1.33 0.00 0.00 0.00 174.94 174.97 2joy n VAL 25 N 6.78 1.45 -3.75 2.92 0.24 -0.78 0.01 118.33 125.21 2joy n VAL 25 Ca 0.16 -0.83 -0.15 0.00 -2.04 0.00 0.00 64.34 61.48 2joy n VAL 25 Cb 0.50 -0.66 -0.16 0.00 -1.47 0.00 0.00 33.84 32.05 2joy n VAL 25 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2joy s ASP 26 N -5.69 0.18 -0.33 -1.34 2.15 -1.12 -0.37 116.67 110.16 2joy s ASP 26 Ca -0.08 0.11 -0.03 0.00 0.43 0.00 0.00 52.55 52.98 2joy s ASP 26 Cb 0.07 -0.01 0.06 0.00 -0.30 0.00 0.00 42.92 42.74 2joy s ASP 26 CO 0.83 -0.15 0.05 -0.63 -0.17 0.00 0.00 175.17 175.10 2joy s ILE 27 N 1.27 3.21 -0.14 4.11 1.01 -1.26 0.36 121.20 129.75 2joy s ILE 27 Ca -0.07 -1.43 -0.09 0.00 0.00 0.00 0.00 60.65 59.06 2joy s ILE 27 Cb -0.13 -2.89 -0.03 0.00 0.01 0.00 0.00 42.46 39.42 2joy s ILE 27 CO -0.04 -0.21 -0.16 0.40 0.00 0.00 0.00 174.94 174.93 2joy h ILE 28 N 6.39 0.02 -4.56 2.92 5.03 -1.91 -3.46 117.51 121.93 2joy h ILE 28 Ca -0.20 -1.02 -0.16 0.00 -0.12 0.00 0.00 64.86 63.36 2joy h ILE 28 Cb 1.06 0.04 -0.01 0.00 -3.03 0.00 0.00 36.82 34.89 2joy h ILE 28 CO 0.57 0.01 -0.06 0.47 -0.68 0.00 0.00 178.15 178.45 2joy n ASP 29 N -4.62 1.30 0.08 1.72 9.92 -0.58 -5.02 116.55 119.36 2joy n ASP 29 Ca -0.07 -1.51 -0.09 0.00 -0.53 0.00 0.00 54.79 52.58 2joy n ASP 29 Cb 0.26 -0.03 -0.04 0.00 -0.64 0.00 0.00 41.12 40.67 2joy n ASP 29 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 2joy h ASP 30 N 0.15 0.24 0.00 -2.24 3.58 -2.03 -3.36 116.42 112.75 2joy h ASP 30 Ca -0.09 -0.21 -0.14 0.00 0.42 0.00 0.00 57.03 57.01 2joy h ASP 30 Cb 0.35 -0.07 -0.03 0.00 1.72 0.00 0.00 39.33 41.30 2joy h ASP 30 CO 0.14 1.05 -1.53 0.59 -2.88 0.00 0.00 179.24 176.61 2joy n ASN 31 N -3.60 3.11 -4.56 2.28 4.13 -1.26 -4.92 115.26 110.44 2joy n ASN 31 Ca -0.04 -0.01 -0.42 0.00 1.68 0.00 0.00 54.58 55.80 2joy n ASN 31 Cb 0.85 0.60 -0.03 0.00 -1.54 0.00 0.00 39.78 39.66 2joy n ASN 31 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 2joy s PHE 32 N -2.19 2.50 0.14 3.10 0.08 -1.26 -1.53 117.98 118.83 2joy s PHE 32 Ca -0.05 0.20 0.08 0.00 0.12 0.00 0.00 56.93 57.28 2joy s PHE 32 Cb 0.02 -4.53 -0.04 0.00 -0.57 0.00 0.00 43.02 37.91 2joy s PHE 32 CO 0.31 -1.75 -0.19 0.14 -0.10 0.00 0.00 175.22 173.63 2joy s VAL 33 N 5.16 1.76 -0.33 -0.44 -7.23 -1.26 -1.52 120.40 116.53 2joy s VAL 33 Ca 0.39 -1.78 -0.14 0.00 -1.81 0.00 0.00 61.98 58.63 2joy s VAL 33 Cb -0.08 -1.73 -0.02 0.00 0.56 0.00 0.00 36.38 35.11 2joy s VAL 33 CO 0.21 -0.24 0.31 -0.22 -0.31 0.00 0.00 175.10 174.85 2joy s LEU 34 N -2.41 4.39 0.08 1.32 2.96 0.16 -2.67 118.68 122.51 2joy s LEU 34 Ca 0.12 -0.22 0.09 0.00 -0.22 0.00 0.00 54.13 53.90 2joy s LEU 34 Cb -0.07 -2.27 -0.04 0.00 0.50 0.00 0.00 46.19 44.31 2joy s LEU 34 CO 0.06 -0.27 -0.20 0.68 -1.32 0.00 0.00 176.35 175.30 2joy s VAL 35 N 1.92 2.69 0.14 1.68 -7.23 -1.25 -1.86 120.40 116.48 2joy s VAL 35 Ca 0.10 -1.40 -0.25 0.00 -1.81 0.00 0.00 61.98 58.61 2joy s VAL 35 Cb -0.17 -2.18 0.07 0.00 0.56 0.00 0.00 36.38 34.66 2joy s VAL 35 CO 0.11 0.21 0.94 0.28 -0.31 0.00 0.00 175.10 176.33 2joy s THR 36 N -1.02 0.00 0.00 5.32 -1.32 -0.66 -3.86 115.64 114.10 2joy s THR 36 Ca 0.16 -0.58 0.00 0.00 -1.21 0.00 0.00 61.69 60.06 2joy s THR 36 Cb -0.10 -1.85 0.00 0.00 -1.51 0.00 0.00 72.50 69.04 2joy s THR 36 CO 0.07 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.09 2joy n GLY 37 N -0.44 3.44 3.80 6.08 0.00 0.97 -0.19 105.19 118.85 2joy n GLY 37 Ca -0.06 -2.11 -0.33 0.00 0.00 0.00 0.00 46.02 43.52 2joy n GLY 37 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2joy s PRO 38 N -0.12 3.50 -0.12 1.61 0.02 -1.26 -4.69 135.00 133.95 2joy s PRO 38 Ca 0.00 1.25 -0.19 0.00 0.02 0.00 0.00 61.00 62.08 2joy s PRO 38 Cb 0.00 -2.06 -0.04 0.00 0.02 0.00 0.00 34.50 32.42 2joy s PRO 38 CO 0.00 -0.67 0.52 0.21 -0.33 0.00 0.00 177.00 176.73 2joy s LYS 39 N -3.80 4.35 0.00 5.54 2.20 -1.26 -2.80 119.74 123.97 2joy s LYS 39 Ca 0.65 0.52 0.00 0.00 -0.36 0.00 0.00 55.97 56.78 2joy s LYS 39 Cb -0.16 -3.45 0.00 0.00 -1.51 0.00 0.00 37.83 32.71 2joy s LYS 39 CO 0.31 0.12 0.00 -3.47 -0.36 0.00 0.00 175.35 171.95 2joy n ASP 40 N 3.78 0.00 -4.64 1.43 2.03 -1.26 -4.83 116.55 113.05 2joy n ASP 40 Ca -0.06 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.83 2joy n ASP 40 Cb 0.51 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.89 2joy n ASP 40 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2joy s ILE 41 N 0.00 3.70 0.00 5.18 1.01 -1.26 -3.39 121.20 126.44 2joy s ILE 41 Ca 0.00 0.82 0.00 0.00 0.00 0.00 0.00 60.65 61.47 2joy s ILE 41 Cb 0.00 -3.63 0.00 0.00 0.01 0.00 0.00 42.46 38.84 2joy s ILE 41 CO 0.00 -0.19 0.00 0.41 0.00 0.00 0.00 174.94 175.16 2joy n THR 42 N 5.99 0.00 -1.53 2.92 -1.04 -1.26 -4.11 114.28 115.25 2joy n THR 42 Ca 0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.19 2joy n THR 42 Cb 0.44 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.95 2joy n THR 42 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2joy n GLY 43 N 0.00 0.73 2.68 3.41 0.00 -1.20 -5.06 105.19 105.76 2joy n GLY 43 Ca 0.00 -0.37 -0.30 0.00 0.00 0.00 0.00 46.02 45.35 2joy n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2joy s VAL 44 N -2.87 1.11 -0.48 1.61 1.01 -1.12 -4.93 120.40 114.73 2joy s VAL 44 Ca 0.00 -2.18 -0.19 0.00 0.00 0.00 0.00 61.98 59.61 2joy s VAL 44 Cb 0.00 -1.79 0.05 0.00 0.00 0.00 0.00 36.38 34.64 2joy s VAL 44 CO 0.00 -0.86 0.58 -0.75 0.00 0.00 0.00 175.10 174.07 2joy s LYS 45 N 0.73 3.13 0.06 2.72 2.20 -1.26 -0.02 119.74 127.29 2joy s LYS 45 Ca 0.16 -0.83 0.01 0.00 -0.36 0.00 0.00 55.97 54.95 2joy s LYS 45 Cb -0.23 -4.06 -0.04 0.00 -1.51 0.00 0.00 37.83 31.99 2joy s LYS 45 CO -0.05 -1.12 0.13 0.50 -0.36 0.00 0.00 175.35 174.46 2joy s ARG 46 N 2.51 3.15 0.79 4.03 6.06 -1.26 -4.96 118.95 129.27 2joy s ARG 46 Ca 0.15 -0.55 -0.06 0.00 -2.50 0.00 0.00 55.73 52.77 2joy s ARG 46 Cb -0.18 -2.88 0.14 0.00 0.06 0.00 0.00 34.95 32.08 2joy s ARG 46 CO 0.13 0.60 1.09 -0.98 -2.50 0.00 0.00 175.30 173.64 2joy s ARG 47 N -2.32 1.43 0.06 5.12 1.70 -1.25 -4.40 118.95 119.28 2joy s ARG 47 Ca 0.30 -0.80 -0.31 0.00 -0.47 0.00 0.00 55.73 54.46 2joy s ARG 47 Cb -0.12 -2.17 -0.07 0.00 -0.57 0.00 0.00 34.95 32.02 2joy s ARG 47 CO 0.23 -1.71 1.47 -0.98 -1.08 0.00 0.00 175.30 173.23 2joy s ARG 48 N -5.38 4.27 0.00 3.89 1.70 -1.26 -3.78 118.95 118.39 2joy s ARG 48 Ca 0.68 2.10 0.00 0.00 -0.47 0.00 0.00 55.73 58.04 2joy s ARG 48 Cb -0.05 -3.47 0.00 0.00 -0.57 0.00 0.00 34.95 30.85 2joy s ARG 48 CO 0.47 -0.58 0.42 1.33 -1.08 0.00 0.00 175.30 175.86 2joy n VAL 49 N 4.45 0.16 -0.87 4.99 0.24 -1.09 -4.97 118.33 121.25 2joy n VAL 49 Ca 0.13 -0.36 0.01 0.00 -2.04 0.00 0.00 64.34 62.08 2joy n VAL 49 Cb 0.42 1.24 -0.00 0.00 -1.47 0.00 0.00 33.84 34.02 2joy n VAL 49 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 2joy n ASN 50 N -0.08 -4.67 -4.57 -1.34 5.15 -1.25 -4.61 115.26 103.89 2joy n ASN 50 Ca 0.00 1.02 -0.38 0.00 -0.60 0.00 0.00 54.58 54.62 2joy n ASN 50 Cb 0.18 -2.41 -0.03 0.00 -0.53 0.00 0.00 39.78 36.99 2joy n ASN 50 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2joy s ILE 51 N -4.69 3.88 0.00 -1.44 1.01 -0.58 -4.67 121.20 114.70 2joy s ILE 51 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 60.65 59.52 2joy s ILE 51 Cb 0.00 -4.91 0.00 0.00 0.01 0.00 0.00 42.46 37.56 2joy s ILE 51 CO 0.00 -1.73 0.00 0.18 0.00 0.00 0.00 174.94 173.39 2joy n LEU 52 N 10.05 0.00 -2.56 2.97 4.77 -1.26 -4.89 117.00 126.08 2joy n LEU 52 Ca 0.41 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 56.11 2joy n LEU 52 Cb 0.48 -0.22 -0.00 0.00 -2.33 0.00 0.00 43.42 41.35 2joy n LEU 52 CO 0.69 -0.30 0.26 1.41 -1.33 0.00 0.00 177.39 178.12 2joy n HIS 53 N -2.05 3.47 -4.41 -1.77 8.25 -1.26 -5.00 115.22 112.46 2joy n HIS 53 Ca 0.00 -3.19 -0.26 0.00 -0.26 0.00 0.00 57.72 54.02 2joy n HIS 53 Cb 0.00 -0.19 -0.17 0.00 1.12 0.00 0.00 29.99 30.76 2joy n HIS 53 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2joy s LEU 54 N -3.56 1.56 -0.11 2.41 1.43 -1.26 -2.27 118.68 116.88 2joy s LEU 54 Ca 0.48 -0.32 -0.00 0.00 -1.03 0.00 0.00 54.13 53.26 2joy s LEU 54 Cb 0.39 -0.88 -0.02 0.00 0.03 0.00 0.00 46.19 45.70 2joy s LEU 54 CO -0.19 -0.00 -0.10 -1.61 0.23 0.00 0.00 176.35 174.67 2joy s GLU 55 N 0.96 3.16 0.18 1.70 2.02 -1.08 -4.92 118.70 120.71 2joy s GLU 55 Ca -0.09 -0.62 -0.30 0.00 0.02 0.00 0.00 54.97 53.98 2joy s GLU 55 Cb -0.15 -2.64 -0.09 0.00 0.10 0.00 0.00 34.13 31.36 2joy s GLU 55 CO -0.00 0.39 1.34 -1.25 0.02 0.00 0.00 175.26 175.76 2joy s PRO 56 N -0.08 4.36 0.60 0.39 0.04 -1.26 -1.37 135.00 137.68 2joy s PRO 56 Ca -0.01 2.07 0.06 0.00 0.04 0.00 0.00 61.00 63.17 2joy s PRO 56 Cb -0.14 -3.21 0.11 0.00 0.04 0.00 0.00 34.50 31.31 2joy s PRO 56 CO 0.03 -0.32 0.83 0.25 0.04 0.00 0.00 177.00 177.83 2joy n THR 57 N 3.00 0.00 0.24 1.26 -2.24 0.16 -4.95 114.28 111.75 2joy n THR 57 Ca 0.08 -1.76 0.08 0.00 -2.27 0.00 0.00 64.05 60.19 2joy n THR 57 Cb 0.42 -0.65 0.59 0.00 -2.10 0.00 0.00 70.33 68.60 2joy n THR 57 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 2joy h ASP 58 N -0.10 0.00 -3.33 3.42 3.58 -1.96 -3.44 116.42 114.59 2joy h ASP 58 Ca -0.28 0.00 -0.56 0.00 0.42 0.00 0.00 57.03 56.61 2joy h ASP 58 Cb 1.19 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 42.19 2joy h ASP 58 CO 0.36 0.18 0.02 -0.54 -2.88 0.00 0.00 179.24 176.38 2joy s LYS 59 N -4.37 4.35 -0.19 0.28 3.01 -1.26 -5.02 119.74 116.54 2joy s LYS 59 Ca -0.03 0.81 -0.11 0.00 -1.01 0.00 0.00 55.97 55.63 2joy s LYS 59 Cb 0.14 -3.33 0.06 0.00 -1.01 0.00 0.00 37.83 33.69 2joy s LYS 59 CO 0.65 0.38 0.47 0.21 0.51 0.00 0.00 175.35 177.57 2joy s LYS 60 N -0.28 0.46 -0.13 1.68 2.20 -1.26 -1.41 119.74 121.00 2joy s LYS 60 Ca 0.32 0.86 -0.19 0.00 -0.36 0.00 0.00 55.97 56.60 2joy s LYS 60 Cb -0.19 0.03 -0.04 0.00 -1.51 0.00 0.00 37.83 36.12 2joy s LYS 60 CO 0.19 -0.15 0.54 0.96 -0.36 0.00 0.00 175.35 176.52 2joy s ILE 61 N 1.36 5.13 -0.44 5.43 -4.36 0.75 -4.93 121.20 124.15 2joy s ILE 61 Ca -0.09 1.06 -0.28 0.00 -0.26 0.00 0.00 60.65 61.07 2joy s ILE 61 Cb -0.07 -3.87 -0.00 0.00 1.25 0.00 0.00 42.46 39.77 2joy s ILE 61 CO -0.13 0.26 1.57 -0.62 0.24 0.00 0.00 174.94 176.26 2joy s ASP 62 N 0.82 6.05 0.23 4.36 2.15 -1.26 -4.34 116.67 124.68 2joy s ASP 62 Ca 0.28 0.78 -0.11 0.00 0.43 0.00 0.00 52.55 53.93 2joy s ASP 62 Cb -0.16 -2.54 -0.01 0.00 -0.30 0.00 0.00 42.92 39.92 2joy s ASP 62 CO 0.11 -1.67 0.41 -0.51 -0.17 0.00 0.00 175.17 173.34 2joy s ILE 63 N 6.37 0.00 0.56 4.11 2.07 -1.26 -5.00 121.20 128.05 2joy s ILE 63 Ca 0.65 -1.50 0.03 0.00 -1.41 0.00 0.00 60.65 58.42 2joy s ILE 63 Cb -0.15 -2.22 0.05 0.00 0.13 0.00 0.00 42.46 40.27 2joy s ILE 63 CO 0.30 -0.02 0.78 0.00 -1.91 0.00 0.00 174.94 174.09 2joy s GLN 64 N -4.04 2.40 -0.03 3.50 -2.07 -1.26 -4.76 119.66 113.40 2joy s GLN 64 Ca 0.25 -1.02 -0.30 0.00 -1.82 0.00 0.00 55.36 52.47 2joy s GLN 64 Cb 0.01 -2.52 -0.04 0.00 -1.09 0.00 0.00 33.01 29.37 2joy s GLN 64 CO 0.09 -0.79 1.19 0.21 -1.32 0.00 0.00 175.29 174.67 2joy s LYS 65 N -4.75 4.37 0.00 9.60 2.20 -1.26 -3.93 119.74 125.97 2joy s LYS 65 Ca 0.59 1.68 0.00 0.00 -0.36 0.00 0.00 55.97 57.88 2joy s LYS 65 Cb -0.09 -3.52 0.00 0.00 -1.51 0.00 0.00 37.83 32.71 2joy s LYS 65 CO 0.39 -0.40 0.00 0.41 -0.36 0.00 0.00 175.35 175.38 2joy n GLY 66 N 3.33 0.64 3.78 5.54 0.00 -1.06 -4.97 105.19 112.45 2joy n GLY 66 Ca 0.10 -0.38 -0.34 0.00 0.00 0.00 0.00 46.02 45.40 2joy n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2joy s ALA 67 N -2.43 2.71 0.26 4.61 0.00 0.50 -4.95 121.76 122.46 2joy s ALA 67 Ca 0.00 0.72 0.07 0.00 0.00 0.00 0.00 51.96 52.76 2joy s ALA 67 Cb 0.00 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 19.76 2joy s ALA 67 CO 0.00 -0.73 0.17 -1.54 0.00 0.00 0.00 175.76 173.66 2joy s SER 68 N -1.97 5.35 0.18 0.00 1.04 -1.26 -4.75 113.70 112.29 2joy s SER 68 Ca 0.70 -0.33 -0.19 0.00 0.48 0.00 0.00 55.95 56.62 2joy s SER 68 Cb -0.21 -1.29 0.12 0.00 0.10 0.00 0.00 66.02 64.73 2joy s SER 68 CO 0.28 -0.05 1.62 -0.78 0.98 0.00 0.00 173.24 175.29 2joy h ASP 69 N 1.54 -0.78 -0.80 7.02 1.82 -1.99 0.28 116.42 123.52 2joy h ASP 69 Ca -0.48 0.17 -0.03 0.00 -0.39 0.00 0.00 57.03 56.31 2joy h ASP 69 Cb 1.24 0.41 -0.04 0.00 0.68 0.00 0.00 39.33 41.63 2joy h ASP 69 CO 0.61 -0.25 0.39 -0.33 -1.61 0.00 0.00 179.24 178.05 2joy h GLU 70 N -0.13 1.15 -0.61 0.28 4.39 -1.99 -1.69 114.58 115.99 2joy h GLU 70 Ca 0.21 -0.17 -0.10 0.00 0.34 0.00 0.00 59.36 59.65 2joy h GLU 70 Cb 0.47 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.89 2joy h GLU 70 CO -0.54 0.89 -0.01 1.49 -1.16 0.00 0.00 179.01 179.68 2joy h GLU 71 N 1.13 1.07 -0.59 2.33 4.81 -1.54 -0.73 114.58 121.07 2joy h GLU 71 Ca 0.28 -0.34 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 2joy h GLU 71 Cb 0.11 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 2joy h GLU 71 CO -0.04 1.05 0.32 0.28 -0.73 0.00 0.00 179.01 179.90 2joy h VAL 72 N 0.98 1.19 -0.64 0.32 2.07 -0.23 -0.52 116.25 119.42 2joy h VAL 72 Ca 0.17 -0.47 -0.02 0.00 0.82 0.00 0.00 66.70 67.20 2joy h VAL 72 Cb 0.57 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 2joy h VAL 72 CO 0.03 0.20 0.33 0.50 0.02 0.00 0.00 177.57 178.65 2joy h LYS 73 N 0.79 0.90 -0.19 1.57 3.64 -0.91 0.51 116.57 122.88 2joy h LYS 73 Ca 0.21 -0.11 -0.04 0.00 -1.27 0.00 0.00 60.65 59.44 2joy h LYS 73 Cb 0.04 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 2joy h LYS 73 CO -0.03 0.68 -0.02 -0.22 -2.27 0.00 0.00 179.45 177.59 2joy h LYS 74 N 0.90 0.35 0.00 1.90 3.64 -0.54 -2.07 116.57 120.75 2joy h LYS 74 Ca 0.23 -0.12 -0.06 0.00 -1.27 0.00 0.00 60.65 59.42 2joy h LYS 74 Cb 0.06 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 2joy h LYS 74 CO -0.03 0.58 -0.29 0.87 -2.27 0.00 0.00 179.45 178.31 2joy h LYS 75 N 0.09 0.00 -0.39 1.90 6.56 -0.79 0.75 116.57 124.69 2joy h LYS 75 Ca 0.05 0.00 -0.05 0.00 -1.06 0.00 0.00 60.65 59.59 2joy h LYS 75 Cb 0.43 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.07 2joy h LYS 75 CO 0.01 0.29 0.02 1.25 -2.06 0.00 0.00 179.45 178.96 2joy h LEU 76 N 0.00 0.58 0.08 2.94 5.85 -0.68 -1.39 115.31 122.69 2joy h LEU 76 Ca -0.00 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.60 2joy h LEU 76 Cb 0.54 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.42 2joy h LEU 76 CO 0.04 0.64 -0.04 -0.08 -0.34 0.00 0.00 178.44 178.66 2joy h GLU 77 N 0.59 -0.10 -0.97 1.25 4.81 -0.52 -0.81 114.58 118.82 2joy h GLU 77 Ca 0.13 0.01 0.16 0.00 -0.13 0.00 0.00 59.36 59.52 2joy h GLU 77 Cb 0.35 0.02 -0.10 0.00 0.63 0.00 0.00 28.75 29.65 2joy h GLU 77 CO 0.01 0.36 0.58 0.93 -0.73 0.00 0.00 179.01 180.16 2joy h GLU 78 N -0.63 0.79 0.00 1.92 5.08 -0.72 -0.05 114.58 120.98 2joy h GLU 78 Ca -0.01 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2joy h GLU 78 Cb 0.52 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2joy h GLU 78 CO 0.02 0.52 -0.81 0.77 -1.00 0.00 0.00 179.01 178.51 2joy h SER 79 N 0.82 0.00 -6.31 1.42 0.02 -1.33 -3.49 113.55 104.67 2joy h SER 79 Ca 0.52 -0.19 -0.35 0.00 -0.84 0.00 0.00 61.79 60.93 2joy h SER 79 Cb 0.70 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.25 2joy h SER 79 CO -0.34 0.09 -0.77 -3.20 -1.14 0.00 0.00 176.83 171.48 2joy n ASN 80 N -2.24 -5.68 -0.49 3.07 5.15 -0.03 -4.92 115.26 110.12 2joy n ASN 80 Ca 0.02 -0.75 0.08 0.00 -0.60 0.00 0.00 54.58 53.33 2joy n ASN 80 Cb 0.47 -2.90 0.19 0.00 -0.53 0.00 0.00 39.78 37.01 2joy n ASN 80 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 2joy n LEU 81 N -2.75 3.09 0.12 1.20 7.94 -0.90 -4.76 117.00 120.94 2joy n LEU 81 Ca -0.19 -2.91 -0.13 0.00 -1.11 0.00 0.00 56.01 51.67 2joy n LEU 81 Cb 0.62 -0.44 -0.06 0.00 0.53 0.00 0.00 43.42 44.07 2joy n LEU 81 CO 0.62 0.68 0.74 0.74 -1.11 0.00 0.00 177.39 179.06 2joy h THR 82 N 0.99 0.57 -0.16 1.96 2.02 -1.92 -2.53 112.91 113.85 2joy h THR 82 Ca 0.00 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 2joy h THR 82 Cb 1.16 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 68.13 2joy h THR 82 CO 0.11 0.00 -0.08 -0.33 0.37 0.00 0.00 175.52 175.58 2joy h GLU 83 N -0.39 0.24 0.00 6.66 3.07 -1.98 -0.69 114.58 121.49 2joy h GLU 83 Ca 0.01 -0.05 -0.07 0.00 -0.50 0.00 0.00 59.36 58.75 2joy h GLU 83 Cb 0.39 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.25 2joy h GLU 83 CO -0.08 0.34 -0.35 -0.92 -1.40 0.00 0.00 179.01 176.60 2joy h TYR 84 N 0.23 0.00 0.00 4.33 3.20 -1.81 -1.47 116.97 121.46 2joy h TYR 84 Ca 0.05 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.92 2joy h TYR 84 Cb 0.30 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.57 2joy h TYR 84 CO 0.00 0.35 -1.15 -1.33 -1.64 0.00 0.00 178.16 174.40 2joy n MET 85 N -3.92 0.34 0.06 1.82 2.81 -0.86 -4.28 117.12 113.08 2joy n MET 85 Ca -0.02 -0.02 -0.21 0.00 -1.81 0.00 0.00 57.70 55.65 2joy n MET 85 Cb 0.41 -1.59 -0.14 0.00 -0.71 0.00 0.00 33.22 31.19 2joy n MET 85 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 2joy h LYS 86 N 0.00 0.40 -7.10 0.03 3.64 -0.54 -3.45 116.57 109.55 2joy h LYS 86 Ca 0.00 -0.61 -0.46 0.00 -1.27 0.00 0.00 60.65 58.30 2joy h LYS 86 Cb 0.77 0.22 0.02 0.00 -0.41 0.00 0.00 32.23 32.82 2joy h LYS 86 CO 0.00 1.27 0.37 -1.83 -2.27 0.00 0.00 179.45 176.99 2joy s GLU 87 N -2.67 3.88 0.33 1.90 -1.05 -0.61 -4.98 118.70 115.51 2joy s GLU 87 Ca -0.12 1.22 0.07 0.00 -0.15 0.00 0.00 54.97 55.98 2joy s GLU 87 Cb 0.02 -2.12 -0.01 0.00 -0.44 0.00 0.00 34.13 31.58 2joy s GLU 87 CO 0.86 -0.34 0.43 -1.59 0.95 0.00 0.00 175.26 175.57 2joy s LYS 88 N -3.44 3.03 -0.08 -4.83 -2.85 -1.26 -4.92 119.74 105.39 2joy s LYS 88 Ca 0.64 -1.08 -0.00 0.00 -1.00 0.00 0.00 55.97 54.53 2joy s LYS 88 Cb -0.13 -2.74 -0.03 0.00 -2.06 0.00 0.00 37.83 32.86 2joy s LYS 88 CO 0.22 0.07 -0.05 0.42 0.10 0.00 0.00 175.35 176.11 2joy s ILE 89 N -2.20 3.88 0.25 3.79 1.01 -1.19 -4.96 121.20 121.78 2joy s ILE 89 Ca 0.44 -0.41 0.00 0.00 0.00 0.00 0.00 60.65 60.68 2joy s ILE 89 Cb -0.09 -2.61 0.00 0.00 0.01 0.00 0.00 42.46 39.78 2joy s ILE 89 CO 0.30 0.60 0.00 0.29 0.00 0.00 0.00 174.94 176.13 2joy n LYS 90 N 2.25 -1.96 -3.42 2.79 4.76 -1.26 -4.20 118.16 117.12 2joy n LYS 90 Ca -0.18 1.36 -0.22 0.00 -2.87 0.00 0.00 58.31 56.40 2joy n LYS 90 Cb 0.53 -2.38 -0.03 0.00 -1.84 0.00 0.00 35.03 31.32 2joy n LYS 90 CO 0.00 0.00 0.00 1.51 -1.37 0.00 0.00 177.40 177.54 2joy n ILE 91 N -3.32 -0.35 -3.54 -0.18 0.13 -1.26 -4.88 119.36 105.95 2joy n ILE 91 Ca -0.00 0.00 -0.41 0.00 -1.10 0.00 0.00 62.75 61.23 2joy n ILE 91 Cb 0.44 -0.82 -0.06 0.00 -0.84 0.00 0.00 39.64 38.35 2joy n ILE 91 CO 0.00 0.00 0.00 -0.60 2.80 0.00 0.00 176.55 178.75 2joy s ARG 92 N -6.04 2.98 0.08 9.51 3.52 -1.26 -5.06 118.95 122.68 2joy s ARG 92 Ca 0.39 -2.43 0.03 0.00 -0.13 0.00 0.00 55.73 53.60 2joy s ARG 92 Cb -0.22 -4.03 -0.04 0.00 -1.56 0.00 0.00 34.95 29.09 2joy s ARG 92 CO 0.48 -1.22 0.05 -1.64 -0.81 0.00 0.00 175.30 172.16 2joy s MET 93 N 0.17 2.78 0.07 5.12 -1.94 -1.23 -5.07 119.30 119.19 2joy s MET 93 Ca 0.16 -0.73 -0.31 0.00 -1.71 0.00 0.00 55.69 53.11 2joy s MET 93 Cb -0.17 -2.67 -0.07 0.00 2.01 0.00 0.00 34.83 33.93 2joy s MET 93 CO -0.05 0.56 1.36 -1.25 -0.01 0.00 0.00 175.02 175.63 2joy s PRO 94 N -2.31 4.33 0.00 2.03 0.04 -1.26 -2.70 135.00 135.13 2joy s PRO 94 Ca 0.28 2.00 0.00 0.00 0.04 0.00 0.00 61.00 63.31 2joy s PRO 94 Cb -0.12 -3.36 0.00 0.00 0.04 0.00 0.00 34.50 31.06 2joy s PRO 94 CO 0.20 -0.45 0.00 2.41 0.04 0.00 0.00 177.00 179.20 2joy n THR 95 N 4.15 0.00 -0.14 1.26 -1.04 -1.26 -5.32 114.28 111.93 2joy n THR 95 Ca 0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.13 2joy n THR 95 Cb 0.43 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.94 2joy n THR 95 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61