#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p04 s ASN 15 N 0.00 6.52 -0.48 0.00 -0.87 -1.26 -2.88 114.94 115.97 1p04 s ASN 15 Ca 0.00 0.62 -0.24 0.00 -1.57 0.00 0.00 52.86 51.68 1p04 s ASN 15 Cb 0.00 -2.28 0.03 0.00 -0.02 0.00 0.00 41.25 38.98 1p04 s ASN 15 CO 0.00 -0.16 0.85 -0.63 -2.57 0.00 0.00 177.10 174.59 1p04 s ILE 16 N 1.60 4.55 0.02 0.60 -1.09 0.12 -4.99 121.20 122.02 1p04 s ILE 16 Ca 0.23 0.42 0.07 0.00 -2.23 0.00 0.00 60.65 59.14 1p04 s ILE 16 Cb -0.15 -4.41 -0.02 0.00 -1.58 0.00 0.00 42.46 36.30 1p04 s ILE 16 CO 0.09 -0.85 -0.21 -0.69 -1.23 0.00 0.00 174.94 172.05 1p04 s VAL 17 N 3.55 1.65 0.29 2.92 1.01 -1.26 -2.55 120.40 126.00 1p04 s VAL 17 Ca 0.31 -1.09 -0.30 0.00 0.00 0.00 0.00 61.98 60.90 1p04 s VAL 17 Cb -0.12 -1.41 -0.11 0.00 0.00 0.00 0.00 36.38 34.74 1p04 s VAL 17 CO 0.22 0.29 1.54 -0.83 0.00 0.00 0.00 175.10 176.32 1p04 s GLY 18 N -0.94 2.25 0.00 4.51 0.00 0.22 -3.33 107.32 110.02 1p04 s GLY 18 Ca 0.08 1.50 0.00 0.00 0.00 0.00 0.00 44.72 46.30 1p04 s GLY 18 CO 0.01 2.44 0.00 0.61 0.00 0.00 0.00 173.10 176.16 1p04 n GLY 19 N 2.01 2.99 3.82 0.20 0.00 0.57 0.38 105.19 115.16 1p04 n GLY 19 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 1p04 n GLY 19 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1p04 s ILE 29 N -2.84 4.12 0.51 -0.61 -4.36 -1.21 -2.02 121.20 114.78 1p04 s ILE 29 Ca 0.00 1.10 -0.19 0.00 -0.26 0.00 0.00 60.65 61.30 1p04 s ILE 29 Cb 0.00 -3.53 -0.08 0.00 1.25 0.00 0.00 42.46 40.10 1p04 s ILE 29 CO 0.00 -0.49 1.03 -0.70 0.24 0.00 0.00 174.94 175.02 1p04 s GLU 30 N -3.81 3.73 -0.09 0.37 2.12 -1.26 -0.94 118.70 118.82 1p04 s GLU 30 Ca 0.63 1.29 -0.19 0.00 0.36 0.00 0.00 54.97 57.06 1p04 s GLU 30 Cb -0.13 -2.09 0.04 0.00 0.26 0.00 0.00 34.13 32.21 1p04 s GLU 30 CO 0.29 -0.48 0.45 1.52 -0.54 0.00 0.00 175.26 176.50 1p04 s TYR 31 N -2.12 -0.42 0.29 5.30 -0.85 -0.87 -4.70 117.35 113.98 1p04 s TYR 31 Ca 0.66 0.85 0.09 0.00 -0.52 0.00 0.00 57.07 58.14 1p04 s TYR 31 Cb -0.16 0.19 -0.04 0.00 0.38 0.00 0.00 41.96 42.34 1p04 s TYR 31 CO 0.24 -0.38 0.08 -1.54 -1.52 0.00 0.00 175.55 172.43 1p04 s SER 32 N -0.66 4.76 -0.15 -0.18 1.04 -0.39 -1.34 113.70 116.78 1p04 s SER 32 Ca -0.08 -0.63 0.01 0.00 0.48 0.00 0.00 55.95 55.74 1p04 s SER 32 Cb -0.03 -0.89 0.02 0.00 0.10 0.00 0.00 66.02 65.21 1p04 s SER 32 CO 0.04 -0.12 -0.15 -0.63 0.98 0.00 0.00 173.24 173.36 1p04 s ILE 33 N -2.33 1.63 -1.59 -1.02 1.09 0.09 -1.56 121.20 117.51 1p04 s ILE 33 Ca 0.34 -0.68 -0.14 0.00 -1.10 0.00 0.00 60.65 59.08 1p04 s ILE 33 Cb -0.05 -1.52 0.10 0.00 -1.06 0.00 0.00 42.46 39.94 1p04 s ILE 33 CO 0.22 0.47 0.80 0.59 -0.10 0.00 0.00 174.94 176.92 1p04 n ASN 34 N 4.68 -3.34 -2.02 3.58 3.02 -0.24 -1.00 115.26 119.94 1p04 n ASN 34 Ca -0.18 -0.92 -0.14 0.00 -0.03 0.00 0.00 54.58 53.31 1p04 n ASN 34 Cb 0.50 -3.26 -0.03 0.00 -0.61 0.00 0.00 39.78 36.39 1p04 n ASN 34 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1p04 n ASN 35 N -2.78 -4.12 0.00 6.41 3.02 -1.26 -4.82 115.26 111.71 1p04 n ASN 35 Ca -0.01 0.23 0.00 0.00 -0.03 0.00 0.00 54.58 54.77 1p04 n ASN 35 Cb 0.54 -3.60 0.00 0.00 -0.61 0.00 0.00 39.78 36.11 1p04 n ASN 35 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1p04 n ALA 39 N -1.04 0.70 -0.91 5.41 0.00 -0.17 -5.12 120.51 119.39 1p04 n ALA 39 Ca -0.16 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 52.97 1p04 n ALA 39 Cb 0.56 0.00 0.14 0.00 0.00 0.00 0.00 19.45 20.15 1p04 n ALA 39 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1p04 s SER 40 N 1.00 3.49 0.07 0.00 0.01 -1.19 -4.75 113.70 112.33 1p04 s SER 40 Ca 0.00 2.09 0.09 0.00 1.31 0.00 0.00 55.95 59.44 1p04 s SER 40 Cb 0.00 -2.55 -0.03 0.00 0.21 0.00 0.00 66.02 63.64 1p04 s SER 40 CO 0.00 -2.72 -0.25 -0.76 0.41 0.00 0.00 173.24 169.92 1p04 s LEU 41 N -6.29 2.22 0.32 2.44 1.43 -1.26 -0.73 118.68 116.81 1p04 s LEU 41 Ca 0.66 -0.63 -0.04 0.00 -1.03 0.00 0.00 54.13 53.09 1p04 s LEU 41 Cb -0.21 -1.19 -0.00 0.00 0.03 0.00 0.00 46.19 44.82 1p04 s LEU 41 CO 0.56 0.20 0.46 0.00 0.23 0.00 0.00 176.35 177.80 1p04 s SER 43 N -3.21 4.63 0.24 0.00 0.01 0.36 -2.06 113.70 113.67 1p04 s SER 43 Ca 0.30 -0.27 -0.30 0.00 1.31 0.00 0.00 55.95 57.00 1p04 s SER 43 Cb -0.00 -1.00 -0.09 0.00 0.21 0.00 0.00 66.02 65.14 1p04 s SER 43 CO 0.19 0.20 1.20 -0.69 0.41 0.00 0.00 173.24 174.55 1p04 s VAL 44 N -1.19 3.36 0.00 3.43 1.01 -0.12 -3.00 120.40 123.90 1p04 s VAL 44 Ca 0.22 1.23 0.00 0.00 0.00 0.00 0.00 61.98 63.43 1p04 s VAL 44 Cb -0.11 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.48 1p04 s VAL 44 CO 0.13 0.24 0.00 0.61 0.00 0.00 0.00 175.10 176.08 1p04 n GLY 45 N 1.70 1.41 3.08 4.51 0.00 -0.46 -0.31 105.19 115.10 1p04 n GLY 45 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 1p04 n GLY 45 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1p04 s PHE 46 N 0.00 -0.26 0.19 1.61 0.08 -1.10 -4.13 117.98 114.37 1p04 s PHE 46 Ca 0.00 0.64 -0.31 0.00 0.12 0.00 0.00 56.93 57.38 1p04 s PHE 46 Cb 0.00 0.06 -0.09 0.00 -0.57 0.00 0.00 43.02 42.42 1p04 s PHE 46 CO 0.00 -0.15 1.42 -1.12 -0.10 0.00 0.00 175.22 175.27 1p04 s SER 47 N 0.51 6.74 0.23 1.36 0.01 -1.26 -0.39 113.70 120.90 1p04 s SER 47 Ca -0.03 2.52 -0.02 0.00 1.31 0.00 0.00 55.95 59.72 1p04 s SER 47 Cb -0.05 -2.61 -0.03 0.00 0.21 0.00 0.00 66.02 63.55 1p04 s SER 47 CO -0.03 -0.67 0.23 0.68 0.41 0.00 0.00 173.24 173.86 1p04 s VAL 48 N 0.49 0.00 0.11 3.43 -7.23 0.12 -1.51 120.40 115.81 1p04 s VAL 48 Ca 0.62 -1.87 0.01 0.00 -1.81 0.00 0.00 61.98 58.93 1p04 s VAL 48 Cb -0.40 -2.46 -0.04 0.00 0.56 0.00 0.00 36.38 34.04 1p04 s VAL 48 CO 0.37 0.00 -0.05 0.42 -0.31 0.00 0.00 175.10 175.53 1p04 s THR 48 N -3.97 0.63 -0.40 5.32 -4.23 0.99 -1.69 115.64 112.28 1p04 s THR 48 Ca 0.36 -1.93 0.03 0.00 -1.18 0.00 0.00 61.69 58.97 1p04 s THR 48 Cb 0.05 -1.75 0.16 0.00 1.34 0.00 0.00 72.50 72.30 1p04 s THR 48 CO 0.14 -0.81 0.36 -0.60 -0.54 0.00 0.00 174.62 173.17 1p04 s ARG 48 N -3.86 0.82 4.83 3.99 3.00 -0.36 0.20 118.95 127.56 1p04 s ARG 48 Ca 0.14 -1.71 0.00 0.00 -1.00 0.00 0.00 55.73 53.16 1p04 s ARG 48 Cb 0.06 -1.17 0.00 0.00 0.00 0.00 0.00 34.95 33.83 1p04 s ARG 48 CO -0.04 -1.33 0.00 0.41 0.00 0.00 0.00 175.30 174.35 1p04 n GLY 48 N 3.25 1.45 0.00 8.12 0.00 -1.26 -2.37 105.19 114.38 1p04 n GLY 48 Ca 0.23 -0.70 0.09 0.00 0.00 0.00 0.00 46.02 45.65 1p04 n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p04 n ALA 48 N 8.36 2.08 -2.71 4.61 0.00 -1.26 -4.79 120.51 126.80 1p04 n ALA 48 Ca 0.00 -0.10 -0.40 0.00 0.00 0.00 0.00 53.44 52.94 1p04 n ALA 48 Cb 0.00 -1.30 -0.05 0.00 0.00 0.00 0.00 19.45 18.10 1p04 n ALA 48 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1p04 s THR 49 N -2.34 5.04 0.25 0.00 2.01 -1.00 -5.06 115.64 114.54 1p04 s THR 49 Ca 0.22 1.45 -0.12 0.00 0.31 0.00 0.00 61.69 63.56 1p04 s THR 49 Cb 0.13 -4.05 -0.08 0.00 0.01 0.00 0.00 72.50 68.51 1p04 s THR 49 CO 0.26 0.24 0.60 -0.54 -0.69 0.00 0.00 174.62 174.48 1p04 s LYS 50 N 0.90 3.87 0.22 4.92 1.02 -1.26 -1.23 119.74 128.19 1p04 s LYS 50 Ca 0.37 0.40 -0.16 0.00 0.02 0.00 0.00 55.97 56.60 1p04 s LYS 50 Cb -0.18 -2.61 0.06 0.00 -0.52 0.00 0.00 37.83 34.58 1p04 s LYS 50 CO 0.18 0.29 0.82 0.41 -0.92 0.00 0.00 175.35 176.12 1p04 n GLY 51 N -0.12 0.85 3.10 -3.33 0.00 -0.68 -0.42 105.19 104.59 1p04 n GLY 51 Ca 0.01 -1.15 -0.12 0.00 0.00 0.00 0.00 46.02 44.76 1p04 n GLY 51 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1p04 s PHE 52 N -2.82 -0.07 0.06 1.61 -0.12 -1.13 -0.70 117.98 114.81 1p04 s PHE 52 Ca 0.18 0.13 -0.08 0.00 -0.05 0.00 0.00 56.93 57.11 1p04 s PHE 52 Cb -0.03 0.01 -0.05 0.00 -0.63 0.00 0.00 43.02 42.31 1p04 s PHE 52 CO 0.07 -0.23 0.34 0.14 -0.05 0.00 0.00 175.22 175.49 1p04 s VAL 53 N -0.84 5.19 0.01 -2.49 -7.23 0.48 -1.47 120.40 114.06 1p04 s VAL 53 Ca -0.09 0.26 -0.00 0.00 -1.81 0.00 0.00 61.98 60.33 1p04 s VAL 53 Cb -0.05 -3.61 0.00 0.00 0.56 0.00 0.00 36.38 33.28 1p04 s VAL 53 CO 0.01 0.28 0.02 1.07 -0.31 0.00 0.00 175.10 176.17 1p04 n THR 54 N 0.84 0.00 -3.29 5.32 5.66 0.02 -1.36 114.28 121.48 1p04 n THR 54 Ca -0.08 -0.06 -0.38 0.00 -3.05 0.00 0.00 64.05 60.47 1p04 n THR 54 Cb 0.52 0.04 -0.06 0.00 -1.55 0.00 0.00 70.33 69.28 1p04 n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1p04 s ALA 55 N -1.51 3.55 0.26 1.79 0.00 -1.26 -1.11 121.76 123.48 1p04 s ALA 55 Ca 0.01 -0.03 -0.03 0.00 0.00 0.00 0.00 51.96 51.90 1p04 s ALA 55 Cb -0.00 -2.64 0.32 0.00 0.00 0.00 0.00 23.12 20.80 1p04 s ALA 55 CO 0.01 0.28 1.80 0.78 0.00 0.00 0.00 175.76 178.62 1p04 h GLY 56 N 5.24 0.99 2.00 0.00 0.00 -1.61 -2.05 103.07 107.64 1p04 h GLY 56 Ca -0.47 -0.58 -0.00 0.00 0.00 0.00 0.00 47.33 46.27 1p04 h GLY 56 CO 0.67 0.55 -0.02 1.12 0.00 0.00 0.00 176.54 178.86 1p04 h HIS 57 N 0.88 0.00 -0.56 5.60 2.07 -1.85 -3.05 115.15 118.24 1p04 h HIS 57 Ca 0.19 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.67 1p04 h HIS 57 Cb 0.31 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.27 1p04 h HIS 57 CO 0.02 0.02 0.20 0.00 -3.07 0.00 0.00 177.93 175.10 1p04 s GLY 59 N -3.60 -0.04 0.27 0.00 0.00 -1.15 -4.89 107.32 97.91 1p04 s GLY 59 Ca -0.10 -0.28 0.06 0.00 0.00 0.00 0.00 44.72 44.40 1p04 s GLY 59 CO 0.79 -0.29 0.31 -0.51 0.00 0.00 0.00 173.10 173.41 1p04 s THR 62 N -3.89 4.55 0.36 0.90 -4.23 -1.26 -4.90 115.64 107.17 1p04 s THR 62 Ca 0.10 -1.19 -0.25 0.00 -1.18 0.00 0.00 61.69 59.18 1p04 s THR 62 Cb -0.01 -3.54 -0.13 0.00 1.34 0.00 0.00 72.50 70.16 1p04 s THR 62 CO -0.01 -0.29 0.80 0.52 -0.54 0.00 0.00 174.62 175.09 1p04 n VAL 63 N -1.36 2.02 -0.75 2.29 0.31 -1.26 -0.89 118.33 118.68 1p04 n VAL 63 Ca -0.06 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.77 1p04 n VAL 63 Cb 0.58 -0.77 0.00 0.00 -0.91 0.00 0.00 33.84 32.74 1p04 n VAL 63 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1p04 n ASN 64 N 1.15 -1.77 -4.74 4.52 5.03 0.57 -4.88 115.26 115.14 1p04 n ASN 64 Ca 0.11 0.00 -0.34 0.00 0.87 0.00 0.00 54.58 55.22 1p04 n ASN 64 Cb 0.36 -2.15 0.08 0.00 -1.02 0.00 0.00 39.78 37.04 1p04 n ASN 64 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1p04 s ALA 65 N -1.60 2.25 -0.16 5.41 0.00 -0.07 -4.55 121.76 123.04 1p04 s ALA 65 Ca 0.00 0.73 -0.18 0.00 0.00 0.00 0.00 51.96 52.51 1p04 s ALA 65 Cb 0.00 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.68 1p04 s ALA 65 CO 0.00 -1.64 0.50 0.99 0.00 0.00 0.00 175.76 175.60 1p04 s THR 65 N -2.15 5.14 -0.06 0.00 2.01 -1.26 -1.10 115.64 118.23 1p04 s THR 65 Ca 0.71 0.94 -0.11 0.00 0.31 0.00 0.00 61.69 63.54 1p04 s THR 65 Cb -0.25 -3.83 -0.05 0.00 0.01 0.00 0.00 72.50 68.38 1p04 s THR 65 CO 0.44 0.24 0.29 0.00 -0.69 0.00 0.00 174.62 174.90 1p04 s ALA 66 N 1.19 3.77 0.05 7.40 0.00 -0.18 -1.08 121.76 132.91 1p04 s ALA 66 Ca 0.25 -0.41 0.03 0.00 0.00 0.00 0.00 51.96 51.82 1p04 s ALA 66 Cb -0.15 -2.21 -0.02 0.00 0.00 0.00 0.00 23.12 20.74 1p04 s ALA 66 CO 0.10 0.52 -0.09 1.03 0.00 0.00 0.00 175.76 177.31 1p04 s ARG 67 N -0.97 0.61 -0.09 0.00 0.52 -0.60 -2.37 118.95 116.04 1p04 s ARG 67 Ca 0.20 -0.78 -0.01 0.00 -0.52 0.00 0.00 55.73 54.62 1p04 s ARG 67 Cb -0.14 -0.45 0.03 0.00 0.52 0.00 0.00 34.95 34.90 1p04 s ARG 67 CO 0.09 0.09 -0.05 0.42 0.02 0.00 0.00 175.30 175.87 1p04 s ILE 80 N -1.27 0.77 -1.30 1.52 1.01 -0.13 -1.27 121.20 120.53 1p04 s ILE 80 Ca -0.07 -0.14 -0.08 0.00 0.00 0.00 0.00 60.65 60.35 1p04 s ILE 80 Cb -0.10 -0.84 -0.00 0.00 0.01 0.00 0.00 42.46 41.54 1p04 s ILE 80 CO 0.01 0.32 0.58 0.61 0.00 0.00 0.00 174.94 176.46 1p04 n GLY 81 N 4.90 -0.51 3.64 6.18 0.00 -1.26 -1.18 105.19 116.96 1p04 n GLY 81 Ca -0.12 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1p04 n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p04 n GLY 82 N -1.85 2.20 3.84 -0.02 0.00 -1.26 -5.02 105.19 103.07 1p04 n GLY 82 Ca -0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.46 1p04 n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p04 s ALA 83 N -2.22 3.76 0.16 4.61 0.00 -0.33 -5.05 121.76 122.70 1p04 s ALA 83 Ca 0.00 -0.83 -0.30 0.00 0.00 0.00 0.00 51.96 50.83 1p04 s ALA 83 Cb 0.00 -1.71 -0.08 0.00 0.00 0.00 0.00 23.12 21.33 1p04 s ALA 83 CO 0.00 0.72 1.27 0.08 0.00 0.00 0.00 175.76 177.83 1p04 s VAL 84 N -1.27 3.47 -0.01 0.00 1.01 -1.26 -0.96 120.40 121.37 1p04 s VAL 84 Ca 0.26 1.17 0.00 0.00 0.00 0.00 0.00 61.98 63.41 1p04 s VAL 84 Cb -0.12 -3.75 -0.01 0.00 0.00 0.00 0.00 36.38 32.50 1p04 s VAL 84 CO 0.17 0.15 -0.00 1.33 0.00 0.00 0.00 175.10 176.75 1p04 n VAL 85 N 2.96 0.06 -3.65 2.92 0.24 -1.00 -4.91 118.33 114.95 1p04 n VAL 85 Ca 0.07 -0.03 0.00 0.00 -2.04 0.00 0.00 64.34 62.34 1p04 n VAL 85 Cb 0.44 -0.71 0.00 0.00 -1.47 0.00 0.00 33.84 32.10 1p04 n VAL 85 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1p04 n GLY 86 N 3.26 0.59 3.14 7.63 0.00 -1.22 -0.34 105.19 118.25 1p04 n GLY 86 Ca -0.02 -0.75 -0.09 0.00 0.00 0.00 0.00 46.02 45.16 1p04 n GLY 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1p04 s THR 87 N -2.06 0.33 0.00 2.61 -4.23 -1.02 -1.01 115.64 110.26 1p04 s THR 87 Ca 0.00 -1.88 -0.30 0.00 -1.18 0.00 0.00 61.69 58.33 1p04 s THR 87 Cb 0.00 -1.77 -0.05 0.00 1.34 0.00 0.00 72.50 72.02 1p04 s THR 87 CO 0.00 -0.76 1.33 -0.36 -0.54 0.00 0.00 174.62 174.28 1p04 s PHE 88 N -3.87 3.04 -0.05 3.99 0.40 -0.26 -0.72 117.98 120.51 1p04 s PHE 88 Ca 0.15 0.99 0.07 0.00 -0.60 0.00 0.00 56.93 57.53 1p04 s PHE 88 Cb 0.07 -3.58 -0.24 0.00 0.51 0.00 0.00 43.02 39.79 1p04 s PHE 88 CO -0.04 -2.02 0.64 0.00 0.70 0.00 0.00 175.22 174.50 1p04 h ALA 89 N 7.52 0.65 -2.29 5.36 0.00 -1.66 0.16 119.26 129.01 1p04 h ALA 89 Ca -0.38 -1.40 0.04 0.00 0.00 0.00 0.00 54.91 53.17 1p04 h ALA 89 Cb 1.18 0.49 -0.17 0.00 0.00 0.00 0.00 17.79 19.30 1p04 h ALA 89 CO 0.88 1.49 0.37 0.00 0.00 0.00 0.00 179.25 181.99 1p04 s ALA 90 N -2.60 -1.77 0.09 0.00 0.00 -1.22 -4.85 121.76 111.41 1p04 s ALA 90 Ca -0.08 1.04 -0.26 0.00 0.00 0.00 0.00 51.96 52.66 1p04 s ALA 90 Cb 0.08 0.26 0.08 0.00 0.00 0.00 0.00 23.12 23.54 1p04 s ALA 90 CO 0.82 -0.58 0.76 -0.98 0.00 0.00 0.00 175.76 175.78 1p04 s ARG 91 N -2.54 1.09 -0.07 0.00 1.04 -1.26 -2.53 118.95 114.68 1p04 s ARG 91 Ca -0.01 -0.43 -0.03 0.00 -1.04 0.00 0.00 55.73 54.22 1p04 s ARG 91 Cb -0.01 0.48 0.04 0.00 -2.04 0.00 0.00 34.95 33.42 1p04 s ARG 91 CO -0.04 -0.48 0.09 0.08 -0.04 0.00 0.00 175.30 174.90 1p04 s VAL 93 N -3.44 -0.15 -0.29 4.99 1.01 -0.70 -5.00 120.40 116.82 1p04 s VAL 93 Ca 0.04 0.32 -0.16 0.00 0.00 0.00 0.00 61.98 62.19 1p04 s VAL 93 Cb -0.01 -0.25 0.14 0.00 0.00 0.00 0.00 36.38 36.26 1p04 s VAL 93 CO -0.09 0.10 0.96 0.12 0.00 0.00 0.00 175.10 176.19 1p04 s PHE 94 N 2.20 -0.61 0.00 5.22 2.19 -1.24 -0.92 117.98 124.80 1p04 s PHE 94 Ca 0.04 1.21 0.00 0.00 0.33 0.00 0.00 56.93 58.51 1p04 s PHE 94 Cb -0.13 0.37 0.00 0.00 -1.31 0.00 0.00 43.02 41.95 1p04 s PHE 94 CO -0.05 -0.30 0.00 -0.35 1.83 0.00 0.00 175.22 176.35 1p04 n PRO 99 N 3.86 2.85 0.00 10.12 -0.04 -1.26 -4.98 135.00 145.56 1p04 n PRO 99 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 1p04 n PRO 99 Cb 0.57 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.03 1p04 n PRO 99 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1p04 n GLY 100 N 5.00 2.07 1.53 0.55 0.00 0.14 -4.73 105.19 109.74 1p04 n GLY 100 Ca 0.00 -0.28 -0.14 0.00 0.00 0.00 0.00 46.02 45.60 1p04 n GLY 100 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1p04 n ASN 101 N 4.04 2.59 -3.20 1.61 3.02 -1.26 -2.15 115.26 119.91 1p04 n ASN 101 Ca 0.00 -1.93 -0.21 0.00 -0.03 0.00 0.00 54.58 52.41 1p04 n ASN 101 Cb 0.00 0.15 -0.07 0.00 -0.61 0.00 0.00 39.78 39.25 1p04 n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1p04 n ASP 102 N -1.13 -1.17 -3.99 6.41 4.64 -1.14 -3.72 116.55 116.44 1p04 n ASP 102 Ca -0.09 -2.57 -0.08 0.00 -1.38 0.00 0.00 54.79 50.67 1p04 n ASP 102 Cb 0.27 0.04 -0.09 0.00 -1.04 0.00 0.00 41.12 40.31 1p04 n ASP 102 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1p04 s ARG 103 N 0.12 0.79 0.05 -0.67 1.70 -0.10 -3.64 118.95 117.20 1p04 s ARG 103 Ca 0.33 -1.14 -0.28 0.00 -0.47 0.00 0.00 55.73 54.17 1p04 s ARG 103 Cb 0.05 0.28 0.09 0.00 -0.57 0.00 0.00 34.95 34.80 1p04 s ARG 103 CO -0.16 -0.22 0.96 0.00 -1.08 0.00 0.00 175.30 174.81 1p04 s ALA 104 N -3.92 -1.79 -0.01 7.88 0.00 -0.27 -1.72 121.76 121.94 1p04 s ALA 104 Ca 0.09 0.64 -0.01 0.00 0.00 0.00 0.00 51.96 52.68 1p04 s ALA 104 Cb 0.06 0.48 -0.00 0.00 0.00 0.00 0.00 23.12 23.67 1p04 s ALA 104 CO -0.08 -0.86 0.02 1.67 0.00 0.00 0.00 175.76 176.51 1p04 s TRP 105 N -3.11 0.01 -0.18 0.00 1.48 -1.05 -0.80 118.94 115.30 1p04 s TRP 105 Ca 0.09 -0.01 -0.05 0.00 -1.06 0.00 0.00 56.10 55.08 1p04 s TRP 105 Cb -0.01 -0.02 -0.03 0.00 -1.16 0.00 0.00 33.47 32.26 1p04 s TRP 105 CO -0.04 -0.05 -0.01 0.08 -4.06 0.00 0.00 176.95 172.88 1p04 s VAL 106 N -0.22 4.01 -0.02 -0.66 1.01 -0.54 -1.70 120.40 122.29 1p04 s VAL 106 Ca -0.02 -0.31 -0.16 0.00 0.00 0.00 0.00 61.98 61.49 1p04 s VAL 106 Cb -0.02 -2.79 -0.06 0.00 0.00 0.00 0.00 36.38 33.52 1p04 s VAL 106 CO -0.00 0.46 0.43 -0.94 0.00 0.00 0.00 175.10 175.05 1p04 s SER 107 N 0.65 6.80 0.26 3.32 1.04 0.10 -2.85 113.70 123.02 1p04 s SER 107 Ca -0.01 0.96 0.06 0.00 0.48 0.00 0.00 55.95 57.44 1p04 s SER 107 Cb -0.14 -2.27 -0.03 0.00 0.10 0.00 0.00 66.02 63.68 1p04 s SER 107 CO 0.02 0.26 0.29 -0.76 0.98 0.00 0.00 173.24 174.03 1p04 s LEU 108 N -0.75 4.01 0.83 2.42 1.43 0.45 -2.43 118.68 124.64 1p04 s LEU 108 Ca 0.24 -0.14 -0.11 0.00 -1.03 0.00 0.00 54.13 53.10 1p04 s LEU 108 Cb -0.17 -2.57 0.09 0.00 0.03 0.00 0.00 46.19 43.57 1p04 s LEU 108 CO 0.13 -0.11 1.09 0.42 0.23 0.00 0.00 176.35 178.12 1p04 s THR 109 N -2.09 3.00 0.49 5.49 -4.23 0.54 -4.45 115.64 114.39 1p04 s THR 109 Ca 0.35 0.32 0.22 0.00 -1.18 0.00 0.00 61.69 61.40 1p04 s THR 109 Cb -0.08 -2.80 0.39 0.00 1.34 0.00 0.00 72.50 71.35 1p04 s THR 109 CO 0.27 -0.42 1.95 0.28 -0.54 0.00 0.00 174.62 176.16 1p04 h SER 110 N -1.34 0.16 0.36 3.99 0.02 -1.96 -2.86 113.55 111.92 1p04 h SER 110 Ca -0.46 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 1p04 h SER 110 Cb 1.26 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.77 1p04 h SER 110 CO 0.53 0.08 0.00 0.00 -1.14 0.00 0.00 176.83 176.30 1p04 n ALA 111 N -2.60 1.36 -1.81 3.77 0.00 -1.26 -4.73 120.51 115.23 1p04 n ALA 111 Ca 0.13 0.12 -0.33 0.00 0.00 0.00 0.00 53.44 53.35 1p04 n ALA 111 Cb 0.61 -1.32 -0.06 0.00 0.00 0.00 0.00 19.45 18.69 1p04 n ALA 111 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1p04 s GLN 112 N -3.37 4.09 -0.39 0.00 -1.52 -1.08 -4.46 119.66 112.93 1p04 s GLN 112 Ca 0.01 1.16 -0.08 0.00 -1.95 0.00 0.00 55.36 54.50 1p04 s GLN 112 Cb 0.07 -2.15 0.07 0.00 -0.22 0.00 0.00 33.01 30.78 1p04 s GLN 112 CO 0.27 -0.16 0.21 0.99 -0.25 0.00 0.00 175.29 176.35 1p04 s THR 113 N -2.19 4.05 0.20 -0.19 2.01 -1.14 -4.98 115.64 113.40 1p04 s THR 113 Ca 0.63 -1.33 -0.30 0.00 0.31 0.00 0.00 61.69 61.00 1p04 s THR 113 Cb -0.11 -3.43 -0.08 0.00 0.01 0.00 0.00 72.50 68.89 1p04 s THR 113 CO 0.17 -0.41 0.93 -0.76 -0.69 0.00 0.00 174.62 173.86 1p04 s LEU 114 N 1.41 4.61 0.01 4.42 1.43 -1.26 0.16 118.68 129.45 1p04 s LEU 114 Ca 0.02 1.88 0.04 0.00 -1.03 0.00 0.00 54.13 55.04 1p04 s LEU 114 Cb -0.22 -3.57 -0.01 0.00 0.03 0.00 0.00 46.19 42.41 1p04 s LEU 114 CO 0.02 0.11 -0.12 -0.76 0.23 0.00 0.00 176.35 175.83 1p04 s LEU 115 N -0.89 2.08 -0.79 1.79 1.43 -1.06 -4.89 118.68 116.35 1p04 s LEU 115 Ca 0.42 -0.31 -0.06 0.00 -1.03 0.00 0.00 54.13 53.14 1p04 s LEU 115 Cb -0.25 -0.58 -0.06 0.00 0.03 0.00 0.00 46.19 45.33 1p04 s LEU 115 CO 0.31 0.09 2.98 -0.81 0.23 0.00 0.00 176.35 179.15 1p04 n PRO 116 N 2.42 3.08 -4.08 1.29 -0.04 -1.26 -4.54 135.00 131.87 1p04 n PRO 116 Ca -0.16 -2.17 -0.08 0.00 -0.04 0.00 0.00 63.50 61.05 1p04 n PRO 116 Cb 0.55 -2.37 -0.10 0.00 -0.04 0.00 0.00 33.50 31.55 1p04 n PRO 116 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1p04 s ARG 117 N 0.12 0.59 -0.06 0.54 0.52 -1.26 0.17 118.95 119.57 1p04 s ARG 117 Ca 0.63 -1.11 0.03 0.00 -0.52 0.00 0.00 55.73 54.76 1p04 s ARG 117 Cb 0.27 0.10 0.01 0.00 0.52 0.00 0.00 34.95 35.85 1p04 s ARG 117 CO -0.09 -0.08 -0.14 0.08 0.02 0.00 0.00 175.30 175.09 1p04 s VAL 118 N -3.30 1.24 0.25 3.52 1.01 0.79 -0.61 120.40 123.30 1p04 s VAL 118 Ca 0.03 -0.56 -0.30 0.00 0.00 0.00 0.00 61.98 61.15 1p04 s VAL 118 Cb 0.03 -1.11 -0.10 0.00 0.00 0.00 0.00 36.38 35.20 1p04 s VAL 118 CO -0.07 0.37 1.45 0.00 0.00 0.00 0.00 175.10 176.86 1p04 s ALA 119 N 0.48 3.64 -0.37 5.51 0.00 0.16 -1.42 121.76 129.76 1p04 s ALA 119 Ca -0.12 1.35 0.01 0.00 0.00 0.00 0.00 51.96 53.20 1p04 s ALA 119 Cb -0.15 -3.56 0.15 0.00 0.00 0.00 0.00 23.12 19.56 1p04 s ALA 119 CO 0.04 -0.76 0.26 1.21 0.00 0.00 0.00 175.76 176.51 1p04 s ASN 120 N 0.39 2.36 0.00 0.00 2.47 -1.26 -4.75 114.94 114.14 1p04 s ASN 120 Ca 0.60 -2.40 0.00 0.00 0.42 0.00 0.00 52.86 51.47 1p04 s ASN 120 Cb -0.42 -0.33 0.00 0.00 -1.45 0.00 0.00 41.25 39.05 1p04 s ASN 120 CO 0.43 -0.26 0.00 0.61 -3.72 0.00 0.00 177.10 174.16 1p04 n GLY 120 N 3.70 0.15 4.97 1.21 0.00 -1.26 -4.34 105.19 109.62 1p04 n GLY 120 Ca 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1p04 n GLY 120 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1p04 n SER 120 N 0.92 0.00 -3.83 1.61 7.64 -1.26 -5.11 113.62 113.60 1p04 n SER 120 Ca 0.00 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.76 1p04 n SER 120 Cb 0.00 -0.12 -0.09 0.00 -1.01 0.00 0.00 64.21 62.99 1p04 n SER 120 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1p04 s PHE 121 N -0.23 -0.03 -0.19 1.43 0.08 -1.26 -4.60 117.98 113.18 1p04 s PHE 121 Ca 0.00 -0.04 -0.03 0.00 0.12 0.00 0.00 56.93 56.98 1p04 s PHE 121 Cb 0.00 0.01 -0.01 0.00 -0.57 0.00 0.00 43.02 42.44 1p04 s PHE 121 CO 0.00 -0.36 -0.06 0.08 -0.10 0.00 0.00 175.22 174.78 1p04 s VAL 122 N -1.70 3.36 0.10 -0.44 1.01 -0.50 -4.92 120.40 117.31 1p04 s VAL 122 Ca -0.12 -0.52 -0.30 0.00 0.00 0.00 0.00 61.98 61.05 1p04 s VAL 122 Cb -0.05 -2.49 -0.06 0.00 0.00 0.00 0.00 36.38 33.78 1p04 s VAL 122 CO 0.01 0.45 1.02 -0.89 0.00 0.00 0.00 175.10 175.70 1p04 s THR 123 N 1.10 4.38 -0.32 3.92 2.01 -1.26 -0.15 115.64 125.32 1p04 s THR 123 Ca 0.01 1.90 -0.25 0.00 0.31 0.00 0.00 61.69 63.66 1p04 s THR 123 Cb -0.15 -4.22 0.01 0.00 0.01 0.00 0.00 72.50 68.16 1p04 s THR 123 CO -0.01 0.26 0.87 -0.69 -0.69 0.00 0.00 174.62 174.36 1p04 s VAL 124 N 0.25 4.71 -0.10 3.82 1.01 0.13 -4.30 120.40 125.91 1p04 s VAL 124 Ca 0.50 1.31 0.19 0.00 0.00 0.00 0.00 61.98 63.97 1p04 s VAL 124 Cb -0.25 -4.23 -0.28 0.00 0.00 0.00 0.00 36.38 31.62 1p04 s VAL 124 CO 0.31 -0.34 0.27 0.54 0.00 0.00 0.00 175.10 175.88 1p04 n ARG 125 N 6.42 0.75 -3.37 2.72 5.12 0.53 -1.11 116.66 127.72 1p04 n ARG 125 Ca 0.06 -0.10 0.00 0.00 -1.93 0.00 0.00 57.85 55.88 1p04 n ARG 125 Cb 0.48 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 30.29 1p04 n ARG 125 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1p04 n GLY 126 N 1.57 -0.75 2.63 -0.13 0.00 -1.17 -4.87 105.19 102.47 1p04 n GLY 126 Ca -0.16 -0.84 -0.08 0.00 0.00 0.00 0.00 46.02 44.95 1p04 n GLY 126 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1p04 n SER 127 N 0.31 2.37 -4.71 1.61 3.41 -1.26 -0.49 113.62 114.86 1p04 n SER 127 Ca 0.00 -2.56 -0.42 0.00 -0.26 0.00 0.00 58.87 55.63 1p04 n SER 127 Cb 0.00 -0.46 -0.03 0.00 -0.26 0.00 0.00 64.21 63.46 1p04 n SER 127 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1p04 s THR 128 N -3.95 3.41 -0.05 6.66 2.01 -1.26 -4.86 115.64 117.60 1p04 s THR 128 Ca 0.33 1.01 -0.30 0.00 0.31 0.00 0.00 61.69 63.04 1p04 s THR 128 Cb 0.36 -3.65 -0.02 0.00 0.01 0.00 0.00 72.50 69.21 1p04 s THR 128 CO -0.02 0.08 0.99 -0.70 -0.69 0.00 0.00 174.62 174.28 1p04 s GLU 129 N 1.14 4.49 0.65 4.92 2.12 -1.26 -4.68 118.70 126.08 1p04 s GLU 129 Ca 0.64 1.40 -0.11 0.00 0.36 0.00 0.00 54.97 57.26 1p04 s GLU 129 Cb -0.36 -3.50 -0.02 0.00 0.26 0.00 0.00 34.13 30.51 1p04 s GLU 129 CO 0.30 -0.18 1.05 0.00 -0.54 0.00 0.00 175.26 175.88 1p04 s ALA 130 N 1.52 2.98 0.44 6.30 0.00 -1.26 -5.08 121.76 126.65 1p04 s ALA 130 Ca 0.50 -0.11 0.06 0.00 0.00 0.00 0.00 51.96 52.41 1p04 s ALA 130 Cb -0.20 -3.09 0.01 0.00 0.00 0.00 0.00 23.12 19.85 1p04 s ALA 130 CO 0.23 -0.87 0.60 0.00 0.00 0.00 0.00 175.76 175.72 1p04 s ALA 131 N -3.19 4.31 0.40 0.00 0.00 -1.26 -4.99 121.76 117.03 1p04 s ALA 131 Ca 0.56 -1.53 -0.26 0.00 0.00 0.00 0.00 51.96 50.73 1p04 s ALA 131 Cb -0.12 -1.76 -0.10 0.00 0.00 0.00 0.00 23.12 21.14 1p04 s ALA 131 CO 0.54 -0.35 1.32 0.28 0.00 0.00 0.00 175.76 177.55 1p04 n VAL 132 N -1.94 2.37 0.00 0.00 0.31 -1.26 -1.08 118.33 116.73 1p04 n VAL 132 Ca 0.06 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.89 1p04 n VAL 132 Cb 0.59 -1.64 0.00 0.00 -0.91 0.00 0.00 33.84 31.87 1p04 n VAL 132 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1p04 n GLY 133 N 0.73 3.16 3.72 2.92 0.00 -0.67 -5.01 105.19 110.04 1p04 n GLY 133 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 1p04 n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p04 s ALA 134 N -2.43 2.14 0.48 4.61 0.00 -0.24 -4.68 121.76 121.63 1p04 s ALA 134 Ca 0.00 0.99 -0.14 0.00 0.00 0.00 0.00 51.96 52.80 1p04 s ALA 134 Cb 0.00 -3.50 -0.07 0.00 0.00 0.00 0.00 23.12 19.54 1p04 s ALA 134 CO 0.00 -1.88 0.91 0.00 0.00 0.00 0.00 175.76 174.79 1p04 s ALA 135 N -1.82 3.16 0.13 0.00 0.00 -1.26 -2.09 121.76 119.87 1p04 s ALA 135 Ca 0.77 0.04 -0.23 0.00 0.00 0.00 0.00 51.96 52.55 1p04 s ALA 135 Cb -0.32 -2.97 0.06 0.00 0.00 0.00 0.00 23.12 19.89 1p04 s ALA 135 CO 0.44 -0.16 0.57 0.54 0.00 0.00 0.00 175.76 177.15 1p04 s VAL 136 N -2.55 0.01 0.22 0.00 0.11 0.70 -4.80 120.40 114.09 1p04 s VAL 136 Ca 0.56 -0.10 0.03 0.00 -2.93 0.00 0.00 61.98 59.54 1p04 s VAL 136 Cb -0.10 -1.02 -0.05 0.00 -1.53 0.00 0.00 36.38 33.68 1p04 s VAL 136 CO 0.32 -0.06 0.01 0.00 -3.33 0.00 0.00 175.10 172.04 1p04 s ARG 138 N -3.89 0.58 -0.06 0.00 1.70 0.92 0.69 118.95 118.89 1p04 s ARG 138 Ca 0.28 -0.36 0.02 0.00 -0.47 0.00 0.00 55.73 55.21 1p04 s ARG 138 Cb 0.06 0.25 0.01 0.00 -0.57 0.00 0.00 34.95 34.70 1p04 s ARG 138 CO 0.08 -0.15 -0.11 0.45 -1.08 0.00 0.00 175.30 174.49 1p04 s SER 139 N -1.46 1.63 0.10 -2.89 0.15 -0.73 -0.60 113.70 109.91 1p04 s SER 139 Ca -0.13 -0.27 -0.24 0.00 0.70 0.00 0.00 55.95 56.01 1p04 s SER 139 Cb -0.06 -0.71 0.06 0.00 -1.71 0.00 0.00 66.02 63.61 1p04 s SER 139 CO 0.02 0.04 0.58 -0.83 1.20 0.00 0.00 173.24 174.25 1p04 s GLY 140 N 0.59 -0.55 0.26 9.45 0.00 -0.82 -2.81 107.32 113.44 1p04 s GLY 140 Ca -0.12 0.60 0.18 0.00 0.00 0.00 0.00 44.72 45.37 1p04 s GLY 140 CO 0.03 0.27 1.55 -0.96 0.00 0.00 0.00 173.10 173.99 1p04 n ARG 141 N -0.02 0.12 -0.11 2.90 -4.01 -0.86 -1.18 116.66 113.49 1p04 n ARG 141 Ca -0.17 0.59 -0.20 0.00 -1.04 0.00 0.00 57.85 57.02 1p04 n ARG 141 Cb 0.63 -1.87 -0.07 0.00 -3.04 0.00 0.00 32.46 28.11 1p04 n ARG 141 CO 0.00 0.00 0.00 2.41 -3.04 0.00 0.00 177.63 177.00 1p04 n THR 142 N -2.12 1.51 -0.30 8.89 -1.04 -1.26 -4.63 114.28 115.34 1p04 n THR 142 Ca -0.01 -0.12 0.11 0.00 -2.04 0.00 0.00 64.05 62.00 1p04 n THR 142 Cb 0.05 -2.09 0.30 0.00 -1.82 0.00 0.00 70.33 66.77 1p04 n THR 142 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1p04 n THR 143 N -4.38 0.95 -4.70 12.58 -2.24 -1.25 -5.00 114.28 110.24 1p04 n THR 143 Ca -0.35 -0.98 0.00 0.00 -2.27 0.00 0.00 64.05 60.46 1p04 n THR 143 Cb 0.68 0.54 0.00 0.00 -2.10 0.00 0.00 70.33 69.46 1p04 n THR 143 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1p04 n GLY 156 N 1.55 1.14 3.55 3.38 0.00 -0.33 -4.63 105.19 109.86 1p04 n GLY 156 Ca 0.23 -0.68 -0.40 0.00 0.00 0.00 0.00 46.02 45.17 1p04 n GLY 156 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1p04 s TYR 157 N 0.00 3.22 -0.00 1.61 6.14 -1.26 -1.94 117.35 125.11 1p04 s TYR 157 Ca 0.00 -0.02 0.06 0.00 0.64 0.00 0.00 57.07 57.76 1p04 s TYR 157 Cb 0.00 -2.60 -0.02 0.00 0.42 0.00 0.00 41.96 39.76 1p04 s TYR 157 CO 0.00 -0.38 -0.20 -0.65 0.64 0.00 0.00 175.55 174.96 1p04 s GLN 158 N 1.94 1.54 0.29 4.97 -1.52 0.23 -4.96 119.66 122.16 1p04 s GLN 158 Ca 0.10 -0.75 0.10 0.00 -1.95 0.00 0.00 55.36 52.86 1p04 s GLN 158 Cb -0.17 -1.52 -0.06 0.00 -0.22 0.00 0.00 33.01 31.05 1p04 s GLN 158 CO 0.11 0.41 -0.13 0.00 -0.25 0.00 0.00 175.29 175.43 1p04 n GLY 160 N -0.64 -0.76 3.26 0.00 0.00 0.27 -4.38 105.19 102.93 1p04 n GLY 160 Ca -0.05 -0.34 -0.14 0.00 0.00 0.00 0.00 46.02 45.48 1p04 n GLY 160 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1p04 s THR 161 N -3.80 0.77 -0.13 2.61 -4.23 -1.26 -0.22 115.64 109.38 1p04 s THR 161 Ca 0.00 -1.99 -0.25 0.00 -1.18 0.00 0.00 61.69 58.27 1p04 s THR 161 Cb 0.00 -2.14 -0.02 0.00 1.34 0.00 0.00 72.50 71.68 1p04 s THR 161 CO 0.00 -0.47 0.79 -0.63 -0.54 0.00 0.00 174.62 173.77 1p04 s ILE 162 N -3.60 4.94 -0.14 2.99 1.01 -0.89 -1.28 121.20 124.24 1p04 s ILE 162 Ca 0.24 1.58 0.15 0.00 0.00 0.00 0.00 60.65 62.62 1p04 s ILE 162 Cb 0.06 -4.11 -0.22 0.00 0.01 0.00 0.00 42.46 38.20 1p04 s ILE 162 CO 0.04 0.11 0.38 0.35 0.00 0.00 0.00 174.94 175.82 1p04 n THR 163 N 4.38 0.00 -3.56 2.92 -2.24 0.34 -1.67 114.28 114.45 1p04 n THR 163 Ca 0.02 -0.31 -0.09 0.00 -2.27 0.00 0.00 64.05 61.41 1p04 n THR 163 Cb 0.50 0.31 -0.04 0.00 -2.10 0.00 0.00 70.33 69.00 1p04 n THR 163 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1p04 s ALA 164 N -2.92 -1.92 0.25 6.98 0.00 -1.20 -4.92 121.76 118.03 1p04 s ALA 164 Ca -0.04 1.44 0.10 0.00 0.00 0.00 0.00 51.96 53.47 1p04 s ALA 164 Cb 0.10 -0.37 -0.05 0.00 0.00 0.00 0.00 23.12 22.80 1p04 s ALA 164 CO 0.61 -0.44 -0.18 0.15 0.00 0.00 0.00 175.76 175.90 1p04 s LYS 165 N -1.79 1.54 -1.34 0.00 1.02 -1.26 0.47 119.74 118.38 1p04 s LYS 165 Ca 0.02 -1.69 -0.07 0.00 0.02 0.00 0.00 55.97 54.25 1p04 s LYS 165 Cb -0.01 -1.55 0.01 0.00 -0.52 0.00 0.00 37.83 35.77 1p04 s LYS 165 CO -0.02 0.28 1.13 -1.71 -0.92 0.00 0.00 175.35 174.11 1p04 n ASN 166 N -0.47 -5.36 -4.85 2.83 4.05 -0.61 -4.95 115.26 105.90 1p04 n ASN 166 Ca -0.07 -0.58 -0.34 0.00 0.45 0.00 0.00 54.58 54.04 1p04 n ASN 166 Cb 0.60 -4.96 -0.06 0.00 1.23 0.00 0.00 39.78 36.59 1p04 n ASN 166 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1p04 s VAL 167 N -3.33 4.91 -0.14 3.44 1.01 0.15 -4.52 120.40 121.92 1p04 s VAL 167 Ca 0.47 0.68 -0.08 0.00 0.00 0.00 0.00 61.98 63.05 1p04 s VAL 167 Cb -0.21 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 1p04 s VAL 167 CO 0.74 0.18 0.13 -0.89 0.00 0.00 0.00 175.10 175.25 1p04 s THR 168 N -1.54 5.39 -0.16 3.92 2.01 -1.26 -1.20 115.64 122.80 1p04 s THR 168 Ca 0.39 0.17 -0.04 0.00 0.31 0.00 0.00 61.69 62.52 1p04 s THR 168 Cb -0.14 -3.38 -0.03 0.00 0.01 0.00 0.00 72.50 68.97 1p04 s THR 168 CO 0.19 0.56 -0.03 0.00 -0.69 0.00 0.00 174.62 174.66 1p04 s ALA 169 N -0.58 3.03 -1.18 7.40 0.00 0.67 -4.95 121.76 126.16 1p04 s ALA 169 Ca 0.12 -0.84 -0.15 0.00 0.00 0.00 0.00 51.96 51.09 1p04 s ALA 169 Cb -0.12 -1.61 0.15 0.00 0.00 0.00 0.00 23.12 21.54 1p04 s ALA 169 CO 0.02 0.15 1.43 -0.80 0.00 0.00 0.00 175.76 176.56 1p04 s ASN 170 N 0.46 6.97 0.56 0.00 0.01 -1.26 -0.78 114.94 120.91 1p04 s ASN 170 Ca -0.03 -2.77 -0.10 0.00 -0.71 0.00 0.00 52.86 49.26 1p04 s ASN 170 Cb -0.14 -2.43 -0.04 0.00 0.41 0.00 0.00 41.25 39.05 1p04 s ASN 170 CO 0.03 -0.86 0.94 -0.31 -1.51 0.00 0.00 177.10 175.39 1p04 s TYR 171 N 2.11 3.59 0.35 2.20 4.12 -0.95 -4.94 117.35 123.84 1p04 s TYR 171 Ca 0.43 1.15 0.10 0.00 0.02 0.00 0.00 57.07 58.76 1p04 s TYR 171 Cb -0.02 -2.59 0.84 0.00 -1.52 0.00 0.00 41.96 38.67 1p04 s TYR 171 CO -0.01 -0.53 1.84 0.00 0.02 0.00 0.00 175.55 176.88 1p04 h ALA 172 N -0.03 1.86 0.00 3.71 0.00 -2.02 -1.53 119.26 121.25 1p04 h ALA 172 Ca -0.45 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.44 1p04 h ALA 172 Cb 1.19 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1p04 h ALA 172 CO 0.62 -0.15 -0.25 0.93 0.00 0.00 0.00 179.25 180.40 1p04 h GLU 174 N 0.67 0.00 0.00 0.00 3.07 -2.00 -3.49 114.58 112.83 1p04 h GLU 174 Ca 0.49 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.35 1p04 h GLU 174 Cb 0.86 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.77 1p04 h GLU 174 CO -0.25 0.25 0.00 0.41 -1.40 0.00 0.00 179.01 178.02 1p04 n GLY 175 N 0.21 2.52 3.77 -3.84 0.00 -0.58 -4.86 105.19 102.42 1p04 n GLY 175 Ca 0.00 -1.30 -0.35 0.00 0.00 0.00 0.00 46.02 44.37 1p04 n GLY 175 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p04 s ALA 176 N -2.00 2.64 -0.22 4.61 0.00 -1.26 -2.24 121.76 123.28 1p04 s ALA 176 Ca 0.00 0.80 -0.01 0.00 0.00 0.00 0.00 51.96 52.76 1p04 s ALA 176 Cb 0.00 -3.37 0.06 0.00 0.00 0.00 0.00 23.12 19.82 1p04 s ALA 176 CO 0.00 -0.91 -0.02 0.08 0.00 0.00 0.00 175.76 174.92 1p04 s VAL 177 N -1.84 1.15 0.20 0.00 1.01 0.04 0.24 120.40 121.20 1p04 s VAL 177 Ca 0.72 -0.98 0.04 0.00 0.00 0.00 0.00 61.98 61.76 1p04 s VAL 177 Cb -0.24 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 34.59 1p04 s VAL 177 CO 0.30 -0.15 0.33 -0.13 0.00 0.00 0.00 175.10 175.45 1p04 s ARG 178 N 1.57 3.44 -1.08 2.72 0.52 -0.91 0.24 118.95 125.45 1p04 s ARG 178 Ca -0.04 -0.67 0.00 0.00 -0.52 0.00 0.00 55.73 54.51 1p04 s ARG 178 Cb -0.18 -2.92 0.00 0.00 0.52 0.00 0.00 34.95 32.37 1p04 s ARG 178 CO -0.07 0.46 0.00 0.41 0.02 0.00 0.00 175.30 176.12 1p04 n GLY 179 N -1.02 1.12 3.84 -3.53 0.00 -1.09 -4.80 105.19 99.70 1p04 n GLY 179 Ca -0.08 -0.56 -0.32 0.00 0.00 0.00 0.00 46.02 45.06 1p04 n GLY 179 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p04 s LEU 180 N -2.36 3.48 -0.02 0.99 1.43 -0.34 -4.32 118.68 117.53 1p04 s LEU 180 Ca 0.00 1.59 -0.01 0.00 -1.03 0.00 0.00 54.13 54.68 1p04 s LEU 180 Cb 0.00 -4.50 -0.04 0.00 0.03 0.00 0.00 46.19 41.68 1p04 s LEU 180 CO 0.00 -0.83 0.07 -0.89 0.23 0.00 0.00 176.35 174.93 1p04 s THR 181 N -2.74 4.73 -0.13 5.49 2.01 0.18 -0.67 115.64 124.51 1p04 s THR 181 Ca 0.59 -0.34 -0.03 0.00 0.31 0.00 0.00 61.69 62.22 1p04 s THR 181 Cb -0.12 -3.13 -0.03 0.00 0.01 0.00 0.00 72.50 69.23 1p04 s THR 181 CO 0.39 0.40 -0.03 -1.58 -0.69 0.00 0.00 174.62 173.12 1p04 s GLN 182 N -1.57 3.39 0.32 4.92 0.74 0.18 -0.99 119.66 126.65 1p04 s GLN 182 Ca 0.21 -0.49 0.06 0.00 0.05 0.00 0.00 55.36 55.19 1p04 s GLN 182 Cb -0.12 -2.85 -0.06 0.00 1.10 0.00 0.00 33.01 31.07 1p04 s GLN 182 CO 0.12 0.42 -0.02 0.20 -0.55 0.00 0.00 175.29 175.45 1p04 s GLY 183 N -0.11 2.05 -0.08 2.59 0.00 0.15 0.13 107.32 112.05 1p04 s GLY 183 Ca 0.03 -2.04 0.12 0.00 0.00 0.00 0.00 44.72 42.83 1p04 s GLY 183 CO 0.02 -1.90 1.22 1.16 0.00 0.00 0.00 173.10 173.61 1p04 n ASN 184 N -0.70 2.88 -4.77 1.64 0.23 -0.40 -1.97 115.26 112.16 1p04 n ASN 184 Ca -0.04 -2.50 -0.38 0.00 -0.53 0.00 0.00 54.58 51.13 1p04 n ASN 184 Cb 0.65 -0.31 -0.02 0.00 -2.08 0.00 0.00 39.78 38.02 1p04 n ASN 184 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1p04 s ALA 190 N -1.88 3.13 0.79 -2.53 0.00 -1.26 -4.80 121.76 115.21 1p04 s ALA 190 Ca 0.25 0.92 -0.12 0.00 0.00 0.00 0.00 51.96 53.01 1p04 s ALA 190 Cb 0.19 -3.36 0.06 0.00 0.00 0.00 0.00 23.12 20.01 1p04 s ALA 190 CO 0.08 -0.48 1.16 0.00 0.00 0.00 0.00 175.76 176.51 1p04 s MET 192 N -5.51 1.43 0.15 0.00 0.23 -1.26 -4.78 119.30 109.55 1p04 s MET 192 Ca 0.61 -0.69 -0.05 0.00 -1.03 0.00 0.00 55.69 54.53 1p04 s MET 192 Cb -0.11 0.55 -0.02 0.00 -1.53 0.00 0.00 34.83 33.72 1p04 s MET 192 CO 0.50 -0.64 0.17 0.20 -2.03 0.00 0.00 175.02 173.21 1p04 s GLY 192 N -2.82 0.72 0.03 3.16 0.00 -1.26 -2.04 107.32 105.12 1p04 s GLY 192 Ca 0.07 -1.17 -0.36 0.00 0.00 0.00 0.00 44.72 43.26 1p04 s GLY 192 CO -0.03 -1.10 1.58 0.54 0.00 0.00 0.00 173.10 174.09 1p04 n ARG 192 N -0.15 1.68 0.00 2.90 1.74 0.36 -1.68 116.66 121.50 1p04 n ARG 192 Ca -0.07 0.61 0.00 0.00 -0.77 0.00 0.00 57.85 57.62 1p04 n ARG 192 Cb 0.63 -2.34 0.00 0.00 -1.02 0.00 0.00 32.46 29.74 1p04 n ARG 192 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1p04 n GLY 193 N 3.40 0.54 0.27 -0.13 0.00 -1.26 -4.78 105.19 103.23 1p04 n GLY 193 Ca 0.20 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.38 1p04 n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1p04 h ASP 194 N 1.93 0.00 -2.59 1.61 3.45 -1.67 -3.25 116.42 115.91 1p04 h ASP 194 Ca 0.00 0.00 -0.60 0.00 0.43 0.00 0.00 57.03 56.86 1p04 h ASP 194 Cb 0.00 0.00 0.11 0.00 -0.56 0.00 0.00 39.33 38.88 1p04 h ASP 194 CO 0.00 0.00 0.23 -1.20 -1.57 0.00 0.00 179.24 176.70 1p04 n SER 195 N -3.07 1.63 0.00 6.45 7.64 -1.26 -1.05 113.62 123.96 1p04 n SER 195 Ca 0.01 1.18 0.00 0.00 1.01 0.00 0.00 58.87 61.07 1p04 n SER 195 Cb 0.33 -1.32 0.00 0.00 -1.01 0.00 0.00 64.21 62.21 1p04 n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1p04 n GLY 196 N 1.25 3.04 3.70 0.23 0.00 0.18 -0.49 105.19 113.09 1p04 n GLY 196 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 1p04 n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1p04 s GLY 197 N -1.47 1.69 0.42 -0.02 0.00 -0.21 -2.35 107.32 105.38 1p04 s GLY 197 Ca 0.00 0.51 -0.23 0.00 0.00 0.00 0.00 44.72 45.00 1p04 s GLY 197 CO 0.00 0.91 1.09 -0.56 0.00 0.00 0.00 173.10 174.54 1p04 s SER 198 N -2.86 6.54 -0.13 1.64 0.01 -1.13 -0.86 113.70 116.92 1p04 s SER 198 Ca 0.65 2.12 0.01 0.00 1.31 0.00 0.00 55.95 60.05 1p04 s SER 198 Cb -0.21 -2.59 0.02 0.00 0.21 0.00 0.00 66.02 63.45 1p04 s SER 198 CO 0.57 -0.65 -0.14 0.26 0.41 0.00 0.00 173.24 173.69 1p04 s TRP 199 N -1.63 2.06 0.05 2.43 0.52 -0.26 -1.77 118.94 120.33 1p04 s TRP 199 Ca 0.60 -1.07 -0.12 0.00 0.02 0.00 0.00 56.10 55.53 1p04 s TRP 199 Cb -0.24 -1.51 0.01 0.00 -1.15 0.00 0.00 33.47 30.59 1p04 s TRP 199 CO 0.30 -0.58 0.26 -1.50 0.02 0.00 0.00 176.95 175.44 1p04 s ILE 200 N 1.28 0.10 0.46 2.03 2.07 0.22 -1.15 121.20 126.21 1p04 s ILE 200 Ca -0.00 -0.79 -0.04 0.00 -1.41 0.00 0.00 60.65 58.41 1p04 s ILE 200 Cb -0.14 -0.97 -0.03 0.00 0.13 0.00 0.00 42.46 41.45 1p04 s ILE 200 CO -0.07 -0.44 0.74 0.42 -1.91 0.00 0.00 174.94 173.69 1p04 s THR 201 N -2.70 4.86 0.37 4.00 -4.23 -0.64 -0.67 115.64 116.62 1p04 s THR 201 Ca -0.04 0.05 0.06 0.00 -1.18 0.00 0.00 61.69 60.58 1p04 s THR 201 Cb -0.00 -3.83 0.29 0.00 1.34 0.00 0.00 72.50 70.29 1p04 s THR 201 CO -0.04 -0.76 1.97 0.77 -0.54 0.00 0.00 174.62 176.02 1p04 h SER 202 N 0.31 0.64 0.19 3.99 4.64 -1.91 -0.00 113.55 121.40 1p04 h SER 202 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1p04 h SER 202 Cb 1.21 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1p04 h SER 202 CO 0.61 0.42 0.00 0.00 -0.87 0.00 0.00 176.83 176.99 1p04 n ALA 203 N -2.45 1.87 -0.58 5.18 0.00 -1.26 -4.86 120.51 118.42 1p04 n ALA 203 Ca 0.10 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1p04 n ALA 203 Cb 0.20 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.42 1p04 n ALA 203 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p04 n GLY 207 N -0.09 0.65 3.54 0.00 0.00 -0.01 -4.71 105.19 104.56 1p04 n GLY 207 Ca 0.08 -0.62 -0.41 0.00 0.00 0.00 0.00 46.02 45.06 1p04 n GLY 207 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1p04 s GLN 208 N -1.16 3.50 0.03 1.61 -1.52 -1.25 -0.34 119.66 120.53 1p04 s GLN 208 Ca 0.00 -0.39 -0.30 0.00 -1.95 0.00 0.00 55.36 52.72 1p04 s GLN 208 Cb 0.00 -3.84 -0.07 0.00 -0.22 0.00 0.00 33.01 28.88 1p04 s GLN 208 CO 0.00 -0.63 1.65 0.00 -0.25 0.00 0.00 175.29 176.06 1p04 s ALA 209 N 2.18 3.65 -0.22 6.09 0.00 0.36 -1.62 121.76 132.20 1p04 s ALA 209 Ca 0.14 1.12 0.07 0.00 0.00 0.00 0.00 51.96 53.30 1p04 s ALA 209 Cb -0.16 -3.71 -0.18 0.00 0.00 0.00 0.00 23.12 19.06 1p04 s ALA 209 CO 0.13 -1.19 -0.11 1.04 0.00 0.00 0.00 175.76 175.62 1p04 n GLN 210 N 6.10 0.72 -3.85 0.00 1.13 -0.30 -4.44 117.38 116.74 1p04 n GLN 210 Ca 0.16 0.09 0.00 0.00 -1.94 0.00 0.00 57.00 55.31 1p04 n GLN 210 Cb 0.41 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 29.28 1p04 n GLN 210 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1p04 n GLY 211 N 2.16 -1.34 3.26 1.08 0.00 -1.19 -1.48 105.19 107.67 1p04 n GLY 211 Ca -0.39 -1.16 -0.27 0.00 0.00 0.00 0.00 46.02 44.20 1p04 n GLY 211 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1p04 s VAL 212 N -3.00 1.75 0.14 1.61 -7.23 -0.95 -1.10 120.40 111.61 1p04 s VAL 212 Ca 0.00 -1.11 -0.32 0.00 -1.81 0.00 0.00 61.98 58.74 1p04 s VAL 212 Cb 0.00 -1.49 -0.11 0.00 0.56 0.00 0.00 36.38 35.34 1p04 s VAL 212 CO 0.00 0.34 1.79 0.80 -0.31 0.00 0.00 175.10 177.72 1p04 n MET 213 N 2.12 2.69 -0.02 4.82 1.56 -0.04 -1.18 117.12 127.07 1p04 n MET 213 Ca -0.16 0.98 -0.04 0.00 -0.27 0.00 0.00 57.70 58.21 1p04 n MET 213 Cb 0.53 -2.85 -0.01 0.00 2.15 0.00 0.00 33.22 33.04 1p04 n MET 213 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 1p04 n SER 214 N 5.03 1.16 -0.44 6.12 2.88 -0.21 0.48 113.62 128.65 1p04 n SER 214 Ca 0.18 0.18 0.00 0.00 -1.33 0.00 0.00 58.87 57.90 1p04 n SER 214 Cb 0.35 -0.49 0.00 0.00 -0.75 0.00 0.00 64.21 63.32 1p04 n SER 214 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1p04 n GLY 215 N 2.33 1.37 0.00 0.46 0.00 -0.90 -4.86 105.19 103.60 1p04 n GLY 215 Ca -0.06 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.20 1p04 n GLY 215 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p04 n GLY 216 N 0.00 -1.05 3.45 -0.02 0.00 -1.26 0.17 105.19 106.48 1p04 n GLY 216 Ca 0.00 -1.11 -0.44 0.00 0.00 0.00 0.00 46.02 44.47 1p04 n GLY 216 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p04 s ASN 217 N -4.00 7.05 0.27 1.61 4.22 -0.68 -5.01 114.94 118.40 1p04 s ASN 217 Ca 0.00 -2.97 -0.29 0.00 -2.14 0.00 0.00 52.86 47.46 1p04 s ASN 217 Cb 0.00 -2.38 -0.09 0.00 1.28 0.00 0.00 41.25 40.06 1p04 s ASN 217 CO 0.00 -0.73 1.15 0.68 -2.04 0.00 0.00 177.10 176.16 1p04 s VAL 217 N 1.38 3.39 0.60 3.54 -7.23 -1.26 -4.44 120.40 116.38 1p04 s VAL 217 Ca 0.40 1.35 0.02 0.00 -1.81 0.00 0.00 61.98 61.94 1p04 s VAL 217 Cb -0.04 -3.86 0.11 0.00 0.56 0.00 0.00 36.38 33.16 1p04 s VAL 217 CO -0.02 0.30 0.82 0.00 -0.31 0.00 0.00 175.10 175.89 1p04 n GLN 217 N 1.43 0.15 0.31 4.82 1.13 0.12 -4.90 117.38 120.45 1p04 n GLN 217 Ca 0.00 -2.43 0.19 0.00 -1.94 0.00 0.00 57.00 52.81 1p04 n GLN 217 Cb 0.44 -0.48 1.04 0.00 0.11 0.00 0.00 30.24 31.34 1p04 n GLN 217 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1p04 h SER 217 N -0.37 0.00 -0.12 1.08 4.64 -1.96 -0.83 113.55 115.99 1p04 h SER 217 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1p04 h SER 217 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 1p04 h SER 217 CO 0.31 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 175.81 1p04 n ASN 217 N -3.49 1.02 0.00 4.97 6.94 -1.26 -4.90 115.26 118.53 1p04 n ASN 217 Ca -0.03 -1.69 0.00 0.00 -0.02 0.00 0.00 54.58 52.85 1p04 n ASN 217 Cb 0.11 -0.08 0.00 0.00 -2.36 0.00 0.00 39.78 37.45 1p04 n ASN 217 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1p04 n GLY 217 N 0.95 0.75 2.70 4.83 0.00 -0.32 -5.02 105.19 109.09 1p04 n GLY 217 Ca 0.13 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.03 1p04 n GLY 217 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1p04 n ASN 218 N 0.00 -1.06 -0.32 1.61 0.23 -1.26 -0.49 115.26 113.97 1p04 n ASN 218 Ca 0.00 -2.54 0.08 0.00 -0.53 0.00 0.00 54.58 51.59 1p04 n ASN 218 Cb 0.00 2.00 0.17 0.00 -2.08 0.00 0.00 39.78 39.87 1p04 n ASN 218 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1p04 n ASN 219 N -1.74 2.34 0.09 0.53 0.23 -0.86 -0.70 115.26 115.14 1p04 n ASN 219 Ca 0.01 -3.31 -0.07 0.00 -0.53 0.00 0.00 54.58 50.68 1p04 n ASN 219 Cb 0.47 -0.47 -0.03 0.00 -2.08 0.00 0.00 39.78 37.67 1p04 n ASN 219 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1p04 n GLY 221 N 0.98 -0.73 3.56 0.00 0.00 -1.26 -4.81 105.19 102.94 1p04 n GLY 221 Ca -0.02 -0.20 -0.28 0.00 0.00 0.00 0.00 46.02 45.52 1p04 n GLY 221 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1p04 s ILE 221 N -1.96 3.19 0.49 -0.61 -4.36 -1.23 -5.11 121.20 111.61 1p04 s ILE 221 Ca 0.33 -1.54 -0.23 0.00 -0.26 0.00 0.00 60.65 58.95 1p04 s ILE 221 Cb 0.16 -2.55 -0.07 0.00 1.25 0.00 0.00 42.46 41.26 1p04 s ILE 221 CO 0.26 -0.03 1.25 -2.16 0.24 0.00 0.00 174.94 174.49 1p04 s PRO 221 N -2.59 3.55 0.31 0.37 0.04 -1.26 -4.88 135.00 130.53 1p04 s PRO 221 Ca 0.23 1.97 0.03 0.00 0.04 0.00 0.00 61.00 63.27 1p04 s PRO 221 Cb -0.10 -2.38 0.79 0.00 0.04 0.00 0.00 34.50 32.86 1p04 s PRO 221 CO 0.14 -0.78 1.60 0.00 0.04 0.00 0.00 177.00 178.00 1p04 h ALA 221 N 1.88 1.29 0.00 8.56 0.00 -1.92 -1.31 119.26 127.75 1p04 h ALA 221 Ca -0.50 0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1p04 h ALA 221 Cb 1.27 0.48 0.00 0.00 0.00 0.00 0.00 17.79 19.53 1p04 h ALA 221 CO 0.59 -0.58 0.10 0.66 0.00 0.00 0.00 179.25 180.03 1p04 h SER 222 N 0.07 0.00 -0.15 0.00 4.64 -1.92 -2.02 113.55 114.17 1p04 h SER 222 Ca 0.60 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.92 1p04 h SER 222 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1p04 h SER 222 CO -0.81 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.15 1p04 n GLN 223 N -2.95 1.67 -3.45 4.77 6.02 -0.50 -4.99 117.38 117.95 1p04 n GLN 223 Ca -0.03 -1.69 -0.38 0.00 -0.01 0.00 0.00 57.00 54.90 1p04 n GLN 223 Cb 0.16 -1.33 -0.06 0.00 1.02 0.00 0.00 30.24 30.03 1p04 n GLN 223 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1p04 s ARG 224 N -1.26 3.97 -0.30 -1.09 0.52 -0.76 -4.96 118.95 115.07 1p04 s ARG 224 Ca 0.23 0.47 -0.00 0.00 -0.52 0.00 0.00 55.73 55.91 1p04 s ARG 224 Cb 0.15 -3.19 0.10 0.00 0.52 0.00 0.00 34.95 32.52 1p04 s ARG 224 CO 0.21 0.66 0.08 0.45 0.02 0.00 0.00 175.30 176.72 1p04 s SER 225 N -1.17 4.08 -0.29 0.23 0.15 -1.26 -4.67 113.70 110.76 1p04 s SER 225 Ca 0.26 -1.65 -0.04 0.00 0.70 0.00 0.00 55.95 55.22 1p04 s SER 225 Cb -0.17 -0.99 0.03 0.00 -1.71 0.00 0.00 66.02 63.18 1p04 s SER 225 CO 0.15 -0.39 0.03 -0.44 1.20 0.00 0.00 173.24 173.79 1p04 s SER 226 N 1.50 4.88 -0.13 5.45 0.01 -0.83 -1.68 113.70 122.91 1p04 s SER 226 Ca 0.09 -0.93 -0.06 0.00 1.31 0.00 0.00 55.95 56.36 1p04 s SER 226 Cb -0.18 -1.79 -0.04 0.00 0.21 0.00 0.00 66.02 64.23 1p04 s SER 226 CO -0.21 -0.21 0.08 -0.76 0.41 0.00 0.00 173.24 172.55 1p04 s LEU 227 N 1.39 3.98 0.05 2.44 1.43 0.44 -0.68 118.68 127.73 1p04 s LEU 227 Ca -0.00 0.26 0.05 0.00 -1.03 0.00 0.00 54.13 53.41 1p04 s LEU 227 Cb -0.18 -1.96 -0.02 0.00 0.03 0.00 0.00 46.19 44.05 1p04 s LEU 227 CO -0.00 0.33 -0.15 0.72 0.23 0.00 0.00 176.35 177.48 1p04 s PHE 228 N -0.57 1.28 -0.07 0.29 -0.12 -0.16 -1.04 117.98 117.59 1p04 s PHE 228 Ca 0.11 -0.38 -0.25 0.00 -0.05 0.00 0.00 56.93 56.37 1p04 s PHE 228 Cb -0.12 -0.75 -0.03 0.00 -0.63 0.00 0.00 43.02 41.49 1p04 s PHE 228 CO 0.02 0.05 0.77 -2.00 -0.05 0.00 0.00 175.22 174.01 1p04 s GLU 229 N -1.28 4.44 0.34 1.99 2.56 -0.33 -0.65 118.70 125.77 1p04 s GLU 229 Ca 0.01 0.99 -0.29 0.00 0.00 0.00 0.00 54.97 55.69 1p04 s GLU 229 Cb -0.08 -3.47 -0.11 0.00 2.00 0.00 0.00 34.13 32.46 1p04 s GLU 229 CO 0.02 -0.01 1.50 0.54 -0.56 0.00 0.00 175.26 176.74 1p04 n ARG 230 N 4.02 2.60 0.05 4.30 1.74 -1.26 -2.23 116.66 125.87 1p04 n ARG 230 Ca 0.01 0.92 -0.12 0.00 -0.77 0.00 0.00 57.85 57.88 1p04 n ARG 230 Cb 0.51 -2.64 -0.01 0.00 -1.02 0.00 0.00 32.46 29.29 1p04 n ARG 230 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1p04 h LEU 231 N 3.54 0.56 -0.56 0.55 5.85 -1.60 -3.37 115.31 120.29 1p04 h LEU 231 Ca -0.49 -0.40 0.07 0.00 0.84 0.00 0.00 57.88 57.90 1p04 h LEU 231 Cb 1.24 -0.17 -0.09 0.00 0.37 0.00 0.00 40.66 42.01 1p04 h LEU 231 CO 0.69 1.17 -0.54 1.56 -0.34 0.00 0.00 178.44 180.98 1p04 h GLN 232 N 0.29 -0.28 0.00 1.25 4.20 -1.90 -0.83 115.11 117.83 1p04 h GLN 232 Ca -0.05 0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.62 1p04 h GLN 232 Cb 1.43 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 29.26 1p04 h GLN 232 CO 0.14 -0.19 -0.26 -1.00 -0.67 0.00 0.00 178.83 176.85 1p04 h PRO 233 N -0.29 0.00 -0.32 1.46 0.13 -2.00 -1.98 132.00 129.01 1p04 h PRO 233 Ca 0.11 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.14 1p04 h PRO 233 Cb 0.56 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.68 1p04 h PRO 233 CO -0.68 0.26 -0.20 0.82 -0.23 0.00 0.00 178.00 177.97 1p04 h ILE 234 N 0.00 1.29 -0.62 -3.56 2.04 -1.35 -1.18 117.51 114.14 1p04 h ILE 234 Ca -0.00 -1.33 -0.03 0.00 1.00 0.00 0.00 64.86 64.50 1p04 h ILE 234 Cb 0.55 1.46 -0.03 0.00 -0.74 0.00 0.00 36.82 38.07 1p04 h ILE 234 CO 0.03 0.43 0.27 -0.07 0.00 0.00 0.00 178.15 178.82 1p04 h LEU 235 N 0.46 0.83 -0.17 1.44 3.38 -0.59 -2.86 115.31 117.80 1p04 h LEU 235 Ca 0.07 -0.15 -0.13 0.00 0.09 0.00 0.00 57.88 57.75 1p04 h LEU 235 Cb 0.75 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1p04 h LEU 235 CO 0.06 0.75 -0.41 0.77 0.09 0.00 0.00 178.44 179.70 1p04 h SER 235 N 0.86 0.66 -0.71 -0.43 4.64 -1.44 0.62 113.55 117.75 1p04 h SER 235 Ca 0.21 -0.57 0.10 0.00 -0.47 0.00 0.00 61.79 61.07 1p04 h SER 235 Cb 0.16 -0.19 -0.08 0.00 -0.31 0.00 0.00 62.40 61.98 1p04 h SER 235 CO -0.02 1.11 0.33 -0.61 -0.87 0.00 0.00 176.83 176.76 1p04 h GLN 236 N 0.24 0.53 -0.03 4.77 4.15 -1.19 -2.52 115.11 121.05 1p04 h GLN 236 Ca -0.00 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.39 1p04 h GLN 236 Cb 1.01 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.58 1p04 h GLN 236 CO 0.09 0.35 -0.02 0.66 -1.93 0.00 0.00 178.83 177.97 1p04 n TYR 237 N -4.91 0.00 -2.90 3.99 0.53 -1.08 -4.98 117.16 107.80 1p04 n TYR 237 Ca 0.11 0.00 -0.15 0.00 -1.02 0.00 0.00 57.90 56.84 1p04 n TYR 237 Cb 0.31 -0.00 0.03 0.00 -1.03 0.00 0.00 39.34 38.65 1p04 n TYR 237 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1p04 n GLY 238 N 1.35 -0.09 3.91 2.72 0.00 -0.71 -5.02 105.19 107.36 1p04 n GLY 238 Ca 0.14 -0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1p04 n GLY 238 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p04 s LEU 239 N -4.78 4.26 -0.03 0.99 1.43 0.13 -4.68 118.68 115.99 1p04 s LEU 239 Ca 0.26 0.49 0.07 0.00 -1.03 0.00 0.00 54.13 53.92 1p04 s LEU 239 Cb -0.11 -3.23 -0.02 0.00 0.03 0.00 0.00 46.19 42.86 1p04 s LEU 239 CO 0.32 0.02 -0.24 -0.44 0.23 0.00 0.00 176.35 176.24 1p04 s SER 240 N -2.73 3.21 0.28 2.29 0.01 0.13 -4.75 113.70 112.14 1p04 s SER 240 Ca 0.39 -0.43 -0.29 0.00 1.31 0.00 0.00 55.95 56.94 1p04 s SER 240 Cb -0.12 -0.48 -0.09 0.00 0.21 0.00 0.00 66.02 65.54 1p04 s SER 240 CO 0.27 0.32 1.04 -0.22 0.41 0.00 0.00 173.24 175.05 1p04 s LEU 241 N -0.58 4.53 -0.06 2.44 2.96 -1.26 -0.01 118.68 126.70 1p04 s LEU 241 Ca 0.09 2.13 -0.27 0.00 -0.22 0.00 0.00 54.13 55.85 1p04 s LEU 241 Cb -0.10 -3.70 -0.03 0.00 0.50 0.00 0.00 46.19 42.86 1p04 s LEU 241 CO -0.00 -0.08 0.88 -0.69 -1.32 0.00 0.00 176.35 175.14 1p04 s VAL 242 N -1.24 4.91 0.28 1.68 1.01 -0.57 -4.87 120.40 121.60 1p04 s VAL 242 Ca 0.45 1.82 0.05 0.00 0.00 0.00 0.00 61.98 64.29 1p04 s VAL 242 Cb -0.28 -4.21 -0.06 0.00 0.00 0.00 0.00 36.38 31.83 1p04 s VAL 242 CO 0.36 0.14 0.00 0.42 0.00 0.00 0.00 175.10 176.03 1p04 s THR 243 N 1.28 1.29 0.00 3.92 -4.23 -1.26 -4.37 115.64 112.27 1p04 s THR 243 Ca 0.45 -2.05 0.00 0.00 -1.18 0.00 0.00 61.69 58.91 1p04 s THR 243 Cb -0.19 -2.56 0.00 0.00 1.34 0.00 0.00 72.50 71.09 1p04 s THR 243 CO 0.21 -0.19 0.00 0.61 -0.54 0.00 0.00 174.62 174.72