#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p84 s GLU 28 N 0.00 3.41 -0.68 0.00 2.02 -1.26 -5.00 118.70 117.18 1p84 s GLU 28 Ca 0.00 -0.64 -0.09 0.00 0.02 0.00 0.00 54.97 54.25 1p84 s GLU 28 Cb 0.00 -2.82 0.18 0.00 0.10 0.00 0.00 34.13 31.59 1p84 s GLU 28 CO 0.00 0.04 0.57 0.08 0.02 0.00 0.00 175.26 175.97 1p84 s VAL 29 N 0.83 4.70 -0.19 2.63 1.01 -1.26 -4.29 120.40 123.83 1p84 s VAL 29 Ca -0.03 -2.48 -0.08 0.00 0.00 0.00 0.00 61.98 59.39 1p84 s VAL 29 Cb -0.15 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 1p84 s VAL 29 CO 0.01 -0.93 0.08 0.42 0.00 0.00 0.00 175.10 174.68 1p84 s THR 30 N 0.35 4.84 -0.18 3.92 -4.23 -1.02 -4.97 115.64 114.35 1p84 s THR 30 Ca 0.15 -0.01 -0.08 0.00 -1.18 0.00 0.00 61.69 60.56 1p84 s THR 30 Cb -0.17 -3.20 0.07 0.00 1.34 0.00 0.00 72.50 70.54 1p84 s THR 30 CO -0.05 0.44 0.42 -1.58 -0.54 0.00 0.00 174.62 173.31 1p84 s GLN 31 N 0.51 0.37 0.02 3.99 0.74 -1.26 -1.14 119.66 122.89 1p84 s GLN 31 Ca 0.04 0.91 0.03 0.00 0.05 0.00 0.00 55.36 56.39 1p84 s GLN 31 Cb -0.13 0.14 -0.02 0.00 1.10 0.00 0.00 33.01 34.11 1p84 s GLN 31 CO 0.01 -0.20 -0.09 -0.51 -0.55 0.00 0.00 175.29 173.95 1p84 s LEU 32 N 1.96 2.15 -0.15 3.68 1.43 -0.43 -5.00 118.68 122.33 1p84 s LEU 32 Ca -0.06 -0.36 -0.01 0.00 -1.03 0.00 0.00 54.13 52.67 1p84 s LEU 32 Cb -0.10 -0.32 -0.01 0.00 0.03 0.00 0.00 46.19 45.79 1p84 s LEU 32 CO -0.13 -0.05 -0.12 -0.55 0.23 0.00 0.00 176.35 175.73 1p84 s SER 33 N -0.94 3.96 0.04 2.29 0.15 -1.26 -1.39 113.70 116.55 1p84 s SER 33 Ca -0.03 -0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.25 1p84 s SER 33 Cb -0.07 -1.62 0.00 0.00 -1.71 0.00 0.00 66.02 62.63 1p84 s SER 33 CO 0.00 0.12 0.00 0.59 1.20 0.00 0.00 173.24 175.16 1p84 n ASN 34 N 3.82 0.48 0.00 5.45 4.13 -1.26 -4.96 115.26 122.93 1p84 n ASN 34 Ca -0.18 0.06 0.00 0.00 1.68 0.00 0.00 54.58 56.14 1p84 n ASN 34 Cb 0.52 -0.15 0.00 0.00 -1.54 0.00 0.00 39.78 38.62 1p84 n ASN 34 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1p84 n GLY 35 N 3.21 0.05 3.38 7.41 0.00 -1.26 -5.06 105.19 112.92 1p84 n GLY 35 Ca 0.00 -0.03 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 1p84 n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1p84 s ILE 36 N -1.01 2.57 -0.52 -0.61 1.01 -1.26 -4.96 121.20 116.43 1p84 s ILE 36 Ca 0.00 -0.90 -0.27 0.00 0.00 0.00 0.00 60.65 59.48 1p84 s ILE 36 Cb 0.00 -1.97 0.03 0.00 0.01 0.00 0.00 42.46 40.53 1p84 s ILE 36 CO 0.00 0.58 1.09 0.54 0.00 0.00 0.00 174.94 177.15 1p84 s VAL 37 N -0.53 4.21 -0.19 2.92 0.11 -1.26 -4.56 120.40 121.10 1p84 s VAL 37 Ca 0.07 0.90 -0.14 0.00 -2.93 0.00 0.00 61.98 59.87 1p84 s VAL 37 Cb -0.11 -4.61 -0.04 0.00 -1.53 0.00 0.00 36.38 30.09 1p84 s VAL 37 CO 0.01 -1.11 0.32 -0.69 -3.33 0.00 0.00 175.10 170.30 1p84 s VAL 38 N 4.43 5.26 -0.04 2.04 1.01 -0.48 -2.76 120.40 129.86 1p84 s VAL 38 Ca 0.42 0.57 0.04 0.00 0.00 0.00 0.00 61.98 63.02 1p84 s VAL 38 Cb -0.08 -3.66 -0.00 0.00 0.00 0.00 0.00 36.38 32.63 1p84 s VAL 38 CO 0.27 0.32 -0.17 0.00 0.00 0.00 0.00 175.10 175.52 1p84 s ALA 39 N 0.94 1.51 0.03 5.51 0.00 -0.53 -1.31 121.76 127.92 1p84 s ALA 39 Ca 0.17 -0.69 -0.08 0.00 0.00 0.00 0.00 51.96 51.36 1p84 s ALA 39 Cb -0.14 -0.49 -0.00 0.00 0.00 0.00 0.00 23.12 22.48 1p84 s ALA 39 CO 0.06 0.28 0.15 0.95 0.00 0.00 0.00 175.76 177.19 1p84 s THR 40 N 0.01 0.11 -0.31 0.00 -4.23 -0.29 -1.61 115.64 109.33 1p84 s THR 40 Ca -0.03 -0.94 -0.02 0.00 -1.18 0.00 0.00 61.69 59.52 1p84 s THR 40 Cb -0.11 -0.82 0.12 0.00 1.34 0.00 0.00 72.50 73.02 1p84 s THR 40 CO 0.02 -0.52 0.17 -0.70 -0.54 0.00 0.00 174.62 173.05 1p84 s GLU 41 N -2.37 0.31 0.33 3.99 2.12 -0.97 -2.43 118.70 119.67 1p84 s GLU 41 Ca -0.07 -0.72 -0.26 0.00 0.36 0.00 0.00 54.97 54.28 1p84 s GLU 41 Cb -0.02 -1.14 -0.10 0.00 0.26 0.00 0.00 34.13 33.13 1p84 s GLU 41 CO -0.03 -1.08 0.97 -3.38 -0.54 0.00 0.00 175.26 171.20 1p84 s HIS 42 N 1.83 3.64 -0.28 5.30 -3.43 -1.26 -3.95 115.29 117.13 1p84 s HIS 42 Ca 0.12 1.76 -0.01 0.00 -0.80 0.00 0.00 55.06 56.13 1p84 s HIS 42 Cb -0.18 -2.98 0.13 0.00 -1.43 0.00 0.00 32.58 28.13 1p84 s HIS 42 CO -0.26 0.05 0.30 1.21 -2.00 0.00 0.00 174.74 174.05 1p84 s ASN 43 N -1.55 1.52 0.00 7.38 3.84 -1.20 -4.54 114.94 120.39 1p84 s ASN 43 Ca 0.51 -0.66 0.00 0.00 0.21 0.00 0.00 52.86 52.92 1p84 s ASN 43 Cb -0.20 0.56 0.00 0.00 -0.55 0.00 0.00 41.25 41.06 1p84 s ASN 43 CO 0.26 -0.38 0.31 -0.81 -2.79 0.00 0.00 177.10 173.69 1p84 n PRO 44 N 5.32 0.00 -1.97 0.43 -0.04 -1.26 -3.95 135.00 133.53 1p84 n PRO 44 Ca -0.02 0.31 -0.43 0.00 -0.04 0.00 0.00 63.50 63.32 1p84 n PRO 44 Cb 0.47 -0.67 -0.03 0.00 -0.04 0.00 0.00 33.50 33.23 1p84 n PRO 44 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1p84 s SER 45 N -2.17 6.10 0.00 3.54 1.04 -1.26 -4.60 113.70 116.36 1p84 s SER 45 Ca 0.00 1.65 0.00 0.00 0.48 0.00 0.00 55.95 58.08 1p84 s SER 45 Cb 0.00 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.59 1p84 s SER 45 CO 0.00 -1.48 0.00 0.00 0.98 0.00 0.00 173.24 172.74 1p84 n ALA 46 N 9.39 0.58 0.00 5.32 0.00 -1.26 -5.02 120.51 129.53 1p84 n ALA 46 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1p84 n ALA 46 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 1p84 n ALA 46 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1p84 n HIS 47 N -0.72 0.00 -4.49 0.00 8.25 -1.26 -4.89 115.22 112.10 1p84 n HIS 47 Ca 0.00 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.20 1p84 n HIS 47 Cb 0.00 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.03 1p84 n HIS 47 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1p84 s THR 48 N 0.00 0.41 -0.12 1.59 -4.23 -1.26 -4.21 115.64 107.83 1p84 s THR 48 Ca 0.00 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 58.32 1p84 s THR 48 Cb 0.00 -2.30 0.05 0.00 1.34 0.00 0.00 72.50 71.58 1p84 s THR 48 CO 0.00 0.00 0.48 0.00 -0.54 0.00 0.00 174.62 174.56 1p84 s ALA 49 N -3.20 -1.20 -0.02 3.99 0.00 -0.21 -3.81 121.76 117.31 1p84 s ALA 49 Ca 0.25 1.10 0.04 0.00 0.00 0.00 0.00 51.96 53.35 1p84 s ALA 49 Cb 0.01 -0.44 -0.01 0.00 0.00 0.00 0.00 23.12 22.69 1p84 s ALA 49 CO 0.17 -0.26 -0.14 -1.12 0.00 0.00 0.00 175.76 174.41 1p84 s SER 50 N -0.40 1.70 0.09 0.00 0.01 0.13 -0.62 113.70 114.60 1p84 s SER 50 Ca -0.05 -0.27 0.05 0.00 1.31 0.00 0.00 55.95 56.99 1p84 s SER 50 Cb -0.03 -0.29 -0.03 0.00 0.21 0.00 0.00 66.02 65.87 1p84 s SER 50 CO 0.03 0.15 -0.14 -0.69 0.41 0.00 0.00 173.24 173.01 1p84 s VAL 51 N -0.17 1.16 -2.27 3.43 1.01 -0.51 -1.38 120.40 121.66 1p84 s VAL 51 Ca 0.02 -1.43 0.00 0.00 0.00 0.00 0.00 61.98 60.57 1p84 s VAL 51 Cb -0.07 -1.21 0.00 0.00 0.00 0.00 0.00 36.38 35.10 1p84 s VAL 51 CO 0.00 -0.29 0.00 0.61 0.00 0.00 0.00 175.10 175.42 1p84 n GLY 52 N 1.04 -1.93 3.47 4.51 0.00 -0.63 -0.17 105.19 111.49 1p84 n GLY 52 Ca -0.19 -1.15 -0.29 0.00 0.00 0.00 0.00 46.02 44.38 1p84 n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p84 s VAL 53 N -2.01 2.75 -0.09 1.61 0.11 -0.83 0.85 120.40 122.79 1p84 s VAL 53 Ca 0.00 -1.52 -0.00 0.00 -2.93 0.00 0.00 61.98 57.52 1p84 s VAL 53 Cb 0.00 -2.25 0.02 0.00 -1.53 0.00 0.00 36.38 32.62 1p84 s VAL 53 CO 0.00 0.11 -0.06 -0.69 -3.33 0.00 0.00 175.10 171.13 1p84 s VAL 54 N -1.12 0.80 -0.06 2.04 1.01 0.72 -1.53 120.40 122.26 1p84 s VAL 54 Ca 0.17 -0.18 -0.11 0.00 0.00 0.00 0.00 61.98 61.86 1p84 s VAL 54 Cb -0.10 -0.84 -0.05 0.00 0.00 0.00 0.00 36.38 35.38 1p84 s VAL 54 CO 0.09 0.32 0.28 -0.36 0.00 0.00 0.00 175.10 175.43 1p84 s PHE 55 N 1.53 3.67 0.00 5.22 0.40 0.78 -1.58 117.98 128.00 1p84 s PHE 55 Ca 0.00 0.77 -0.02 0.00 -0.60 0.00 0.00 56.93 57.07 1p84 s PHE 55 Cb -0.13 -2.12 -0.11 0.00 0.51 0.00 0.00 43.02 41.17 1p84 s PHE 55 CO -0.05 0.69 2.50 0.41 0.70 0.00 0.00 175.22 179.47 1p84 n GLY 56 N 1.89 2.53 3.52 4.36 0.00 -0.69 -1.81 105.19 115.00 1p84 n GLY 56 Ca -0.17 -0.50 -0.07 0.00 0.00 0.00 0.00 46.02 45.28 1p84 n GLY 56 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1p84 s SER 57 N 2.05 -0.82 0.00 1.61 0.01 -1.07 -4.84 113.70 110.63 1p84 s SER 57 Ca 0.28 1.34 0.00 0.00 1.31 0.00 0.00 55.95 58.88 1p84 s SER 57 Cb 0.13 1.42 0.00 0.00 0.21 0.00 0.00 66.02 67.78 1p84 s SER 57 CO 0.00 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.04 1p84 n GLY 58 N 4.63 5.37 0.32 3.44 0.00 -1.21 -3.55 105.19 114.19 1p84 n GLY 58 Ca -0.18 -1.30 0.16 0.00 0.00 0.00 0.00 46.02 44.70 1p84 n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p84 h ALA 59 N 1.00 1.71 0.00 4.61 0.00 -1.01 -0.83 119.26 124.74 1p84 h ALA 59 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1p84 h ALA 59 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1p84 h ALA 59 CO 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.07 1p84 n ALA 60 N -2.34 2.28 0.32 0.00 0.00 -0.22 -2.63 120.51 117.93 1p84 n ALA 60 Ca -0.00 -0.11 0.03 0.00 0.00 0.00 0.00 53.44 53.36 1p84 n ALA 60 Cb 0.23 -1.29 -0.03 0.00 0.00 0.00 0.00 19.45 18.37 1p84 n ALA 60 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1p84 n ASN 61 N -0.90 0.57 -4.07 0.00 3.02 -0.32 -4.73 115.26 108.83 1p84 n ASN 61 Ca 0.13 -0.78 -0.29 0.00 -0.03 0.00 0.00 54.58 53.61 1p84 n ASN 61 Cb 0.06 0.82 0.19 0.00 -0.61 0.00 0.00 39.78 40.24 1p84 n ASN 61 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1p84 s GLU 62 N -1.46 0.53 0.41 3.52 2.02 -1.08 -5.05 118.70 117.59 1p84 s GLU 62 Ca 0.04 -0.64 0.07 0.00 0.02 0.00 0.00 54.97 54.46 1p84 s GLU 62 Cb 0.05 -1.90 -0.07 0.00 0.10 0.00 0.00 34.13 32.31 1p84 s GLU 62 CO 0.25 -2.43 0.07 -0.80 0.02 0.00 0.00 175.26 172.36 1p84 s ASN 63 N -4.94 4.09 0.58 -0.19 -0.87 -1.26 -4.98 114.94 107.37 1p84 s ASN 63 Ca 0.75 -1.25 0.29 0.00 -1.57 0.00 0.00 52.86 51.08 1p84 s ASN 63 Cb -0.03 -0.43 1.78 0.00 -0.02 0.00 0.00 41.25 42.55 1p84 s ASN 63 CO 0.53 -0.47 2.24 -0.65 -2.57 0.00 0.00 177.10 176.17 1p84 h PRO 64 N 1.65 0.00 0.00 -0.60 0.11 -1.99 -1.66 132.00 129.51 1p84 h PRO 64 Ca -0.43 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.53 1p84 h PRO 64 Cb 1.24 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.33 1p84 h PRO 64 CO 0.76 0.01 -1.73 0.66 -0.21 0.00 0.00 178.00 177.50 1p84 n TYR 65 N -3.86 0.51 -0.48 0.65 4.02 -1.26 -4.14 117.16 112.61 1p84 n TYR 65 Ca -0.03 0.17 0.07 0.00 -0.01 0.00 0.00 57.90 58.10 1p84 n TYR 65 Cb 0.09 -0.90 0.22 0.00 -0.02 0.00 0.00 39.34 38.74 1p84 n TYR 65 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 1p84 n ASN 66 N -2.67 3.51 -4.67 7.72 2.04 -1.14 -4.73 115.26 115.32 1p84 n ASN 66 Ca -0.12 -2.36 -0.44 0.00 -0.44 0.00 0.00 54.58 51.22 1p84 n ASN 66 Cb 0.80 -0.38 -0.04 0.00 -2.53 0.00 0.00 39.78 37.63 1p84 n ASN 66 CO 0.00 0.00 0.00 -3.20 -0.44 0.00 0.00 177.26 173.62 1p84 n ASN 67 N 0.35 3.83 0.00 0.53 5.15 -0.64 -2.28 115.26 122.21 1p84 n ASN 67 Ca 0.17 0.96 0.00 0.00 -0.60 0.00 0.00 54.58 55.11 1p84 n ASN 67 Cb 0.64 -1.47 0.00 0.00 -0.53 0.00 0.00 39.78 38.41 1p84 n ASN 67 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1p84 n GLY 68 N 4.35 0.84 0.13 8.20 0.00 -1.26 -4.18 105.19 113.28 1p84 n GLY 68 Ca 0.20 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.11 1p84 n GLY 68 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1p84 h VAL 69 N 0.00 1.21 -0.89 1.61 3.04 -1.83 -2.31 116.25 117.08 1p84 h VAL 69 Ca 0.00 -0.69 -0.01 0.00 -1.01 0.00 0.00 66.70 64.99 1p84 h VAL 69 Cb 0.00 1.25 -0.04 0.00 -2.01 0.00 0.00 31.29 30.48 1p84 h VAL 69 CO 0.00 0.22 0.51 0.28 -1.01 0.00 0.00 177.57 177.57 1p84 h SER 70 N 0.18 1.09 -0.06 3.17 0.02 -1.91 -0.79 113.55 115.25 1p84 h SER 70 Ca 0.07 -0.08 -0.08 0.00 -0.84 0.00 0.00 61.79 60.86 1p84 h SER 70 Cb 0.28 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 1p84 h SER 70 CO 0.00 0.86 -0.20 -1.13 -1.14 0.00 0.00 176.83 175.22 1p84 h ASN 71 N 1.24 0.44 -0.25 3.07 -1.24 -1.76 -2.26 115.58 114.81 1p84 h ASN 71 Ca 0.32 -0.13 -0.05 0.00 0.71 0.00 0.00 56.30 57.15 1p84 h ASN 71 Cb -0.01 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 38.91 1p84 h ASN 71 CO -0.06 0.65 -0.05 0.25 -1.29 0.00 0.00 177.43 176.93 1p84 h LEU 72 N 0.40 0.48 0.01 0.34 5.85 -0.71 -2.33 115.31 119.35 1p84 h LEU 72 Ca 0.07 -0.35 0.03 0.00 0.84 0.00 0.00 57.88 58.46 1p84 h LEU 72 Cb 0.57 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.43 1p84 h LEU 72 CO 0.04 0.72 -0.23 -0.50 -0.34 0.00 0.00 178.44 178.13 1p84 h TRP 73 N 0.23 -0.63 -0.85 1.25 4.06 -0.94 -1.28 115.95 117.80 1p84 h TRP 73 Ca 0.07 0.02 0.18 0.00 2.06 0.00 0.00 58.89 61.21 1p84 h TRP 73 Cb 0.51 0.28 -0.11 0.00 -1.00 0.00 0.00 29.16 28.83 1p84 h TRP 73 CO 0.05 -0.32 0.37 -0.22 -3.56 0.00 0.00 178.44 174.76 1p84 h LYS 74 N -0.37 0.45 -0.00 0.49 3.64 -1.35 -0.17 116.57 119.26 1p84 h LYS 74 Ca 0.06 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.31 1p84 h LYS 74 Cb 0.45 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 1p84 h LYS 74 CO -0.21 0.30 -0.46 -0.91 -2.27 0.00 0.00 179.45 175.91 1p84 h ASN 75 N 0.47 0.01 0.49 4.20 2.35 -0.70 -2.53 115.58 119.86 1p84 h ASN 75 Ca 0.49 -0.00 -0.30 0.00 -0.55 0.00 0.00 56.30 55.94 1p84 h ASN 75 Cb 0.83 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.20 1p84 h ASN 75 CO -0.45 0.47 -1.43 0.16 -1.65 0.00 0.00 177.43 174.52 1p84 h ILE 76 N 0.01 1.28 0.00 2.81 3.07 -0.29 -2.50 117.51 121.88 1p84 h ILE 76 Ca -0.00 -2.87 -0.00 0.00 1.55 0.00 0.00 64.86 63.53 1p84 h ILE 76 Cb 0.81 2.86 -0.00 0.00 -0.27 0.00 0.00 36.82 40.22 1p84 h ILE 76 CO 0.06 0.84 -0.00 0.15 -1.05 0.00 0.00 178.15 178.15 1p84 h PHE 77 N 0.08 0.00 -0.35 0.16 3.57 -0.99 0.19 116.94 119.60 1p84 h PHE 77 Ca -0.21 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.29 1p84 h PHE 77 Cb 2.02 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.76 1p84 h PHE 77 CO 0.07 0.00 0.00 1.28 -2.23 0.00 0.00 178.31 177.43 1p84 n LEU 78 N -3.79 3.08 -4.66 0.59 4.77 -0.96 -4.60 117.00 111.42 1p84 n LEU 78 Ca -0.03 -1.62 -0.35 0.00 -0.03 0.00 0.00 56.01 53.98 1p84 n LEU 78 Cb 0.08 -0.23 0.10 0.00 -2.33 0.00 0.00 43.42 41.05 1p84 n LEU 78 CO 0.27 0.70 0.68 -0.24 -1.33 0.00 0.00 177.39 177.47 1p84 n SER 79 N 1.05 0.91 -0.33 -1.43 2.88 0.66 -4.58 113.62 112.77 1p84 n SER 79 Ca 0.15 0.65 0.17 0.00 -1.33 0.00 0.00 58.87 58.51 1p84 n SER 79 Cb 0.49 -1.47 0.38 0.00 -0.75 0.00 0.00 64.21 62.86 1p84 n SER 79 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1p84 h LYS 80 N -0.45 0.47 0.34 -1.46 3.64 -1.89 0.20 116.57 117.42 1p84 h LYS 80 Ca -0.47 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 58.86 1p84 h LYS 80 Cb 1.32 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1p84 h LYS 80 CO 0.47 0.31 -0.16 0.93 -2.27 0.00 0.00 179.45 178.73 1p84 h GLU 81 N 0.49 -0.44 -0.69 1.90 5.08 -1.92 -1.92 114.58 117.07 1p84 h GLU 81 Ca 0.64 0.03 0.06 0.00 -1.00 0.00 0.00 59.36 59.09 1p84 h GLU 81 Cb 1.25 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 30.56 1p84 h GLU 81 CO -0.51 -0.29 0.46 -0.97 -1.00 0.00 0.00 179.01 176.69 1p84 h ASN 82 N -0.53 0.64 0.44 1.42 -1.24 -1.78 -2.13 115.58 112.41 1p84 h ASN 82 Ca -0.05 0.00 -0.12 0.00 0.71 0.00 0.00 56.30 56.84 1p84 h ASN 82 Cb 0.35 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 39.25 1p84 h ASN 82 CO 0.08 0.42 -0.54 -1.28 -1.29 0.00 0.00 177.43 174.81 1p84 h SER 83 N 0.73 0.12 0.67 1.15 0.87 -0.66 -3.01 113.55 113.40 1p84 h SER 83 Ca 0.30 -0.06 -0.12 0.00 -1.23 0.00 0.00 61.79 60.68 1p84 h SER 83 Cb 0.23 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.15 1p84 h SER 83 CO -0.09 0.64 -0.55 0.00 -0.53 0.00 0.00 176.83 176.29 1p84 h ALA 84 N 1.37 1.00 -0.17 6.23 0.00 -0.65 -2.50 119.26 124.53 1p84 h ALA 84 Ca -0.00 -0.50 -0.03 0.00 0.00 0.00 0.00 54.91 54.37 1p84 h ALA 84 Cb 0.98 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1p84 h ALA 84 CO 0.08 0.69 -0.03 0.28 0.00 0.00 0.00 179.25 180.27 1p84 h VAL 85 N 0.00 1.28 0.00 0.00 2.07 -1.38 -2.74 116.25 115.47 1p84 h VAL 85 Ca -0.01 -0.95 -0.05 0.00 0.82 0.00 0.00 66.70 66.51 1p84 h VAL 85 Cb 1.03 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 32.35 1p84 h VAL 85 CO 0.07 0.28 -0.25 0.00 0.02 0.00 0.00 177.57 177.69 1p84 h ALA 86 N 0.74 0.92 -0.31 1.67 0.00 -1.57 -3.22 119.26 117.50 1p84 h ALA 86 Ca 0.05 -0.23 -0.17 0.00 0.00 0.00 0.00 54.91 54.55 1p84 h ALA 86 Cb 0.44 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1p84 h ALA 86 CO 0.01 0.32 -0.49 0.00 0.00 0.00 0.00 179.25 179.09 1p84 h ALA 87 N 1.75 0.55 -0.66 0.00 0.00 -1.36 0.62 119.26 120.16 1p84 h ALA 87 Ca -0.00 -0.49 0.02 0.00 0.00 0.00 0.00 54.91 54.43 1p84 h ALA 87 Cb 0.94 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 1p84 h ALA 87 CO 0.03 0.68 0.43 0.87 0.00 0.00 0.00 179.25 181.26 1p84 h LYS 88 N 0.66 0.83 0.00 0.00 1.79 -1.50 -1.07 116.57 117.28 1p84 h LYS 88 Ca 0.03 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 1p84 h LYS 88 Cb 1.08 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 31.54 1p84 h LYS 88 CO 0.11 0.55 0.00 -1.91 -1.08 0.00 0.00 179.45 177.12 1p84 n GLU 89 N -4.66 0.06 -2.10 3.15 4.07 -1.12 -4.87 120.64 115.18 1p84 n GLU 89 Ca 0.06 0.20 0.00 0.00 -0.06 0.00 0.00 57.16 57.36 1p84 n GLU 89 Cb 0.05 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 29.93 1p84 n GLU 89 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1p84 n GLY 90 N 0.12 0.79 3.45 8.31 0.00 -0.41 -5.08 105.19 112.38 1p84 n GLY 90 Ca 0.05 -0.69 -0.28 0.00 0.00 0.00 0.00 46.02 45.09 1p84 n GLY 90 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p84 s LEU 91 N -0.56 2.56 0.05 0.99 1.02 0.21 -4.70 118.68 118.25 1p84 s LEU 91 Ca 0.00 -0.69 0.09 0.00 0.02 0.00 0.00 54.13 53.55 1p84 s LEU 91 Cb 0.00 -1.37 -0.03 0.00 0.02 0.00 0.00 46.19 44.81 1p84 s LEU 91 CO 0.00 0.16 -0.25 0.00 0.02 0.00 0.00 176.35 176.27 1p84 s ALA 92 N -1.30 2.30 0.02 4.21 0.00 -0.73 -3.66 121.76 122.61 1p84 s ALA 92 Ca 0.18 -1.27 0.02 0.00 0.00 0.00 0.00 51.96 50.90 1p84 s ALA 92 Cb -0.10 -0.51 -0.04 0.00 0.00 0.00 0.00 23.12 22.48 1p84 s ALA 92 CO 0.09 0.54 -0.01 -0.51 0.00 0.00 0.00 175.76 175.88 1p84 s LEU 93 N -1.29 3.46 -0.18 0.00 1.43 -1.26 -0.74 118.68 120.10 1p84 s LEU 93 Ca 0.12 -0.06 -0.18 0.00 -1.03 0.00 0.00 54.13 52.98 1p84 s LEU 93 Cb -0.10 -2.04 0.05 0.00 0.03 0.00 0.00 46.19 44.13 1p84 s LEU 93 CO 0.03 0.25 0.50 -0.44 0.23 0.00 0.00 176.35 176.92 1p84 s SER 94 N -1.72 -0.51 0.00 2.29 0.01 -0.49 -4.99 113.70 108.30 1p84 s SER 94 Ca 0.21 0.96 -0.17 0.00 1.31 0.00 0.00 55.95 58.26 1p84 s SER 94 Cb -0.12 0.98 0.03 0.00 0.21 0.00 0.00 66.02 67.13 1p84 s SER 94 CO 0.12 -0.20 0.38 -0.55 0.41 0.00 0.00 173.24 173.40 1p84 s SER 95 N 0.16 -0.26 -0.10 2.44 0.15 -1.26 -0.41 113.70 114.42 1p84 s SER 95 Ca -0.01 0.10 -0.05 0.00 0.70 0.00 0.00 55.95 56.69 1p84 s SER 95 Cb -0.03 0.37 0.04 0.00 -1.71 0.00 0.00 66.02 64.69 1p84 s SER 95 CO 0.01 -0.54 0.22 0.21 1.20 0.00 0.00 173.24 174.34 1p84 s ASN 96 N -1.58 -0.23 -0.20 5.45 3.84 -1.01 -5.03 114.94 116.19 1p84 s ASN 96 Ca -0.10 0.47 -0.09 0.00 0.21 0.00 0.00 52.86 53.36 1p84 s ASN 96 Cb -0.03 0.37 -0.04 0.00 -0.55 0.00 0.00 41.25 40.99 1p84 s ASN 96 CO 0.02 -0.16 0.10 -0.63 -2.79 0.00 0.00 177.10 173.64 1p84 s ILE 97 N 1.18 5.06 0.00 -5.21 -1.09 -1.26 -2.45 121.20 117.44 1p84 s ILE 97 Ca -0.09 0.07 0.00 0.00 -2.23 0.00 0.00 60.65 58.40 1p84 s ILE 97 Cb -0.10 -3.31 0.00 0.00 -1.58 0.00 0.00 42.46 37.47 1p84 s ILE 97 CO -0.08 0.43 0.00 -0.24 -1.23 0.00 0.00 174.94 173.83 1p84 n SER 98 N 3.68 1.20 -0.07 3.58 2.88 -0.79 -4.98 113.62 119.12 1p84 n SER 98 Ca -0.16 -0.97 -0.13 0.00 -1.33 0.00 0.00 58.87 56.29 1p84 n SER 98 Cb 0.52 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.87 1p84 n SER 98 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1p84 h ARG 99 N 0.00 0.00 0.00 -1.46 3.08 -1.95 -1.90 114.38 112.15 1p84 h ARG 99 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1p84 h ARG 99 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1p84 h ARG 99 CO 0.00 0.89 -0.91 -0.44 -1.07 0.00 0.00 179.97 178.43 1p84 h ASP 100 N -1.00 0.00 -5.75 7.04 3.32 -1.93 -0.49 116.42 117.60 1p84 h ASP 100 Ca -0.01 -0.03 -0.38 0.00 0.02 0.00 0.00 57.03 56.63 1p84 h ASP 100 Cb 0.90 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.33 1p84 h ASP 100 CO -0.01 0.01 -0.43 0.72 -1.72 0.00 0.00 179.24 177.82 1p84 s PHE 101 N -3.34 1.48 -0.05 4.55 -0.12 -1.26 -2.61 117.98 116.63 1p84 s PHE 101 Ca 0.01 -1.52 -0.14 0.00 -0.05 0.00 0.00 56.93 55.23 1p84 s PHE 101 Cb 0.10 -0.52 0.03 0.00 -0.63 0.00 0.00 43.02 41.99 1p84 s PHE 101 CO 0.78 -0.91 0.32 -1.14 -0.05 0.00 0.00 175.22 174.22 1p84 s GLN 102 N -3.46 0.59 -0.11 1.99 0.74 -0.75 -1.89 119.66 116.78 1p84 s GLN 102 Ca 0.38 0.03 -0.10 0.00 0.05 0.00 0.00 55.36 55.71 1p84 s GLN 102 Cb 0.02 0.27 0.03 0.00 1.10 0.00 0.00 33.01 34.43 1p84 s GLN 102 CO 0.23 -0.14 0.30 -1.54 -0.55 0.00 0.00 175.29 173.59 1p84 s SER 103 N -0.84 -0.31 -0.16 6.67 1.04 -1.02 -0.15 113.70 118.93 1p84 s SER 103 Ca -0.09 0.59 0.01 0.00 0.48 0.00 0.00 55.95 56.94 1p84 s SER 103 Cb -0.04 0.60 0.02 0.00 0.10 0.00 0.00 66.02 66.70 1p84 s SER 103 CO 0.03 -0.11 -0.18 -0.31 0.98 0.00 0.00 173.24 173.66 1p84 s TYR 104 N 0.14 2.47 0.02 5.02 1.51 -0.58 -2.39 117.35 123.54 1p84 s TYR 104 Ca -0.00 -1.38 0.04 0.00 -1.01 0.00 0.00 57.07 54.72 1p84 s TYR 104 Cb -0.02 -1.74 -0.02 0.00 -0.11 0.00 0.00 41.96 40.07 1p84 s TYR 104 CO 0.00 -0.70 -0.13 0.42 -1.11 0.00 0.00 175.55 174.04 1p84 s ILE 105 N 1.25 1.02 -0.16 2.71 1.01 0.46 -1.97 121.20 125.52 1p84 s ILE 105 Ca 0.02 -0.77 0.00 0.00 0.00 0.00 0.00 60.65 59.90 1p84 s ILE 105 Cb -0.14 -0.89 0.02 0.00 0.01 0.00 0.00 42.46 41.47 1p84 s ILE 105 CO -0.09 0.12 -0.14 -0.69 0.00 0.00 0.00 174.94 174.14 1p84 s VAL 106 N -0.59 1.62 0.09 2.92 1.01 0.76 -1.39 120.40 124.82 1p84 s VAL 106 Ca 0.03 -0.71 -0.09 0.00 0.00 0.00 0.00 61.98 61.21 1p84 s VAL 106 Cb -0.06 -1.54 -0.06 0.00 0.00 0.00 0.00 36.38 34.72 1p84 s VAL 106 CO 0.00 0.43 0.40 -0.44 0.00 0.00 0.00 175.10 175.49 1p84 s SER 107 N 1.46 6.61 0.38 3.32 0.01 0.08 -1.42 113.70 124.14 1p84 s SER 107 Ca 0.04 0.76 -0.12 0.00 1.31 0.00 0.00 55.95 57.94 1p84 s SER 107 Cb -0.13 -2.16 0.04 0.00 0.21 0.00 0.00 66.02 63.98 1p84 s SER 107 CO -0.11 0.14 0.71 -0.94 0.41 0.00 0.00 173.24 173.46 1p84 s SER 108 N -1.89 0.28 0.73 2.44 1.04 0.21 -1.77 113.70 114.75 1p84 s SER 108 Ca 0.35 -1.27 -0.11 0.00 0.48 0.00 0.00 55.95 55.39 1p84 s SER 108 Cb -0.13 0.81 0.03 0.00 0.10 0.00 0.00 66.02 66.83 1p84 s SER 108 CO 0.19 -1.61 1.09 -0.22 0.98 0.00 0.00 173.24 173.67 1p84 s LEU 109 N -3.13 2.84 0.41 2.42 2.96 -1.26 -1.05 118.68 121.88 1p84 s LEU 109 Ca 0.20 1.24 0.28 0.00 -0.22 0.00 0.00 54.13 55.63 1p84 s LEU 109 Cb -0.04 -4.01 1.50 0.00 0.50 0.00 0.00 46.19 44.15 1p84 s LEU 109 CO 0.14 -1.52 1.86 1.55 -1.32 0.00 0.00 176.35 177.06 1p84 h PRO 110 N -0.78 0.00 0.14 0.98 0.13 -1.84 -2.98 132.00 127.65 1p84 h PRO 110 Ca -0.45 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.32 1p84 h PRO 110 Cb 1.25 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 1p84 h PRO 110 CO 0.62 0.00 -1.90 0.78 -0.23 0.00 0.00 178.00 177.26 1p84 h GLY 111 N 0.14 0.35 -2.17 1.56 0.00 -1.95 -3.37 103.07 97.62 1p84 h GLY 111 Ca 0.00 -0.89 -0.07 0.00 0.00 0.00 0.00 47.33 46.37 1p84 h GLY 111 CO 0.00 0.78 0.09 1.44 0.00 0.00 0.00 176.54 178.84 1p84 n SER 112 N -3.51 2.92 0.00 0.19 7.64 -1.13 -4.40 113.62 115.33 1p84 n SER 112 Ca -0.29 -2.23 0.01 0.00 1.01 0.00 0.00 58.87 57.37 1p84 n SER 112 Cb 1.06 -0.55 0.03 0.00 -1.01 0.00 0.00 64.21 63.74 1p84 n SER 112 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1p84 n THR 113 N 0.23 1.14 -0.13 0.44 5.66 -1.25 -1.64 114.28 118.73 1p84 n THR 113 Ca 0.08 0.28 -0.18 0.00 -3.05 0.00 0.00 64.05 61.19 1p84 n THR 113 Cb 0.64 -1.26 -0.11 0.00 -1.55 0.00 0.00 70.33 68.04 1p84 n THR 113 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1p84 n ASP 114 N -1.30 2.04 0.19 1.09 2.03 -1.26 -4.35 116.55 114.98 1p84 n ASP 114 Ca 0.01 -0.11 0.13 0.00 0.52 0.00 0.00 54.79 55.34 1p84 n ASP 114 Cb 0.01 -0.42 0.66 0.00 -0.72 0.00 0.00 41.12 40.65 1p84 n ASP 114 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1p84 h LYS 115 N -0.06 0.00 0.17 -0.67 6.56 -1.66 -0.86 116.57 120.05 1p84 h LYS 115 Ca -0.57 0.00 -0.31 0.00 -1.06 0.00 0.00 60.65 58.71 1p84 h LYS 115 Cb 1.85 0.00 0.03 0.00 -0.57 0.00 0.00 32.23 33.54 1p84 h LYS 115 CO -0.11 0.00 -1.33 0.77 -2.06 0.00 0.00 179.45 176.73 1p84 h SER 116 N 0.00 0.81 0.49 0.86 0.02 -1.75 -3.05 113.55 110.94 1p84 h SER 116 Ca 0.00 -0.80 -0.03 0.00 -0.84 0.00 0.00 61.79 60.12 1p84 h SER 116 Cb 0.11 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.39 1p84 h SER 116 CO 0.00 1.61 -0.13 -0.07 -1.14 0.00 0.00 176.83 177.11 1p84 h LEU 117 N 0.21 0.00 0.02 5.07 3.38 -1.36 -0.73 115.31 121.90 1p84 h LEU 117 Ca -0.21 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.66 1p84 h LEU 117 Cb 2.01 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.77 1p84 h LEU 117 CO 0.25 0.13 -0.43 0.44 0.09 0.00 0.00 178.44 178.91 1p84 h ASP 118 N 0.00 0.34 0.34 -0.43 3.45 -1.53 -2.87 116.42 115.72 1p84 h ASP 118 Ca -0.00 -0.82 -0.06 0.00 0.43 0.00 0.00 57.03 56.58 1p84 h ASP 118 Cb 0.41 -0.11 -0.01 0.00 -0.56 0.00 0.00 39.33 39.06 1p84 h ASP 118 CO 0.02 1.12 -0.30 0.15 -1.57 0.00 0.00 179.24 178.65 1p84 h PHE 119 N -0.39 0.00 -0.01 4.55 3.57 -1.37 0.37 116.94 123.65 1p84 h PHE 119 Ca -0.06 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.43 1p84 h PHE 119 Cb 1.21 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.95 1p84 h PHE 119 CO 0.18 0.30 -0.01 1.25 -2.23 0.00 0.00 178.31 177.80 1p84 h LEU 120 N 0.00 0.03 -0.71 0.59 7.12 -1.19 -2.71 115.31 118.44 1p84 h LEU 120 Ca -0.00 -0.50 -0.13 0.00 0.13 0.00 0.00 57.88 57.37 1p84 h LEU 120 Cb 0.56 -0.01 -0.01 0.00 -0.53 0.00 0.00 40.66 40.67 1p84 h LEU 120 CO 0.04 0.52 -0.47 -1.13 -0.13 0.00 0.00 178.44 177.27 1p84 h ASN 121 N -0.46 0.45 -0.18 1.25 -0.73 -1.37 -2.53 115.58 112.02 1p84 h ASN 121 Ca 0.00 -0.22 -0.05 0.00 1.87 0.00 0.00 56.30 57.91 1p84 h ASN 121 Cb 0.52 -0.13 -0.02 0.00 0.27 0.00 0.00 38.32 38.96 1p84 h ASN 121 CO 0.00 0.86 -0.03 -0.61 -0.37 0.00 0.00 177.43 177.28 1p84 h GLN 122 N 0.34 0.46 0.00 6.67 4.15 -0.95 -2.21 115.11 123.57 1p84 h GLN 122 Ca 0.02 -0.10 -0.03 0.00 0.77 0.00 0.00 58.65 59.31 1p84 h GLN 122 Cb 0.96 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.57 1p84 h GLN 122 CO 0.08 0.51 -1.15 0.43 -1.93 0.00 0.00 178.83 176.78 1p84 n SER 123 N -4.28 0.80 -0.83 -0.69 7.64 -1.02 0.30 113.62 115.53 1p84 n SER 123 Ca 0.01 0.31 0.10 0.00 1.01 0.00 0.00 58.87 60.31 1p84 n SER 123 Cb 0.25 0.50 0.09 0.00 -1.01 0.00 0.00 64.21 64.04 1p84 n SER 123 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1p84 n PHE 124 N -2.69 0.03 0.06 1.43 3.01 -0.96 -3.75 117.46 114.59 1p84 n PHE 124 Ca -0.02 -0.02 0.00 0.00 1.01 0.00 0.00 57.45 58.42 1p84 n PHE 124 Cb 0.61 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.07 1p84 n PHE 124 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 1p84 n ILE 125 N 1.15 0.04 -0.04 4.37 5.41 -0.84 -4.78 119.36 124.67 1p84 n ILE 125 Ca 0.12 0.01 -0.13 0.00 1.00 0.00 0.00 62.75 63.75 1p84 n ILE 125 Cb 0.51 -0.59 -0.11 0.00 -0.71 0.00 0.00 39.64 38.74 1p84 n ILE 125 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 1p84 h GLN 126 N 0.00 -0.01 -0.75 0.38 -0.00 -1.56 -3.33 115.11 109.84 1p84 h GLN 126 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 58.65 58.54 1p84 h GLN 126 Cb 0.05 0.00 -0.07 0.00 0.00 0.00 0.00 27.48 27.46 1p84 h GLN 126 CO 0.00 0.73 0.14 1.04 0.00 0.00 0.00 178.83 180.75 1p84 n GLN 127 N -4.74 3.61 0.00 1.69 6.02 0.15 -4.42 117.38 119.69 1p84 n GLN 127 Ca -0.09 -2.54 0.00 0.00 -0.01 0.00 0.00 57.00 54.36 1p84 n GLN 127 Cb 0.36 -2.08 0.00 0.00 1.02 0.00 0.00 30.24 29.54 1p84 n GLN 127 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1p84 n LYS 128 N 0.15 0.94 0.00 -1.09 3.00 -1.25 -2.36 118.16 117.55 1p84 n LYS 128 Ca 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.61 1p84 n LYS 128 Cb 1.14 -1.30 0.00 0.00 0.00 0.00 0.00 35.03 34.87 1p84 n LYS 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1p84 n ALA 129 N 0.22 0.00 -0.00 3.14 0.00 -1.26 -4.88 120.51 117.73 1p84 n ALA 129 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1p84 n ALA 129 Cb 0.33 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.66 1p84 n ALA 129 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1p84 n ASN 130 N 0.00 0.68 0.18 0.00 4.13 -1.00 -3.87 115.26 115.38 1p84 n ASN 130 Ca 0.00 0.31 0.13 0.00 1.68 0.00 0.00 54.58 56.70 1p84 n ASN 130 Cb 0.00 0.36 0.36 0.00 -1.54 0.00 0.00 39.78 38.96 1p84 n ASN 130 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 1p84 h LEU 131 N 0.00 0.00 -4.28 3.41 3.38 -1.82 -3.31 115.31 112.68 1p84 h LEU 131 Ca -0.23 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 57.04 1p84 h LEU 131 Cb 1.73 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 42.18 1p84 h LEU 131 CO 0.05 0.00 0.76 0.18 0.09 0.00 0.00 178.44 179.52 1p84 n LEU 132 N -2.72 7.38 -4.87 1.67 4.77 -1.25 -4.50 117.00 117.48 1p84 n LEU 132 Ca 0.04 -4.51 -0.31 0.00 -0.03 0.00 0.00 56.01 51.20 1p84 n LEU 132 Cb 0.43 -0.94 0.02 0.00 -2.33 0.00 0.00 43.42 40.60 1p84 n LEU 132 CO 0.30 1.62 0.73 -0.94 -1.33 0.00 0.00 177.39 177.77 1p84 s SER 133 N -1.80 6.01 0.00 -1.43 1.04 -1.25 -4.88 113.70 111.40 1p84 s SER 133 Ca 0.60 1.36 0.15 0.00 0.48 0.00 0.00 55.95 58.55 1p84 s SER 133 Cb 0.48 -2.35 0.92 0.00 0.10 0.00 0.00 66.02 65.17 1p84 s SER 133 CO -0.13 -1.00 1.39 -1.20 0.98 0.00 0.00 173.24 173.28 1p84 n SER 134 N -2.83 0.00 -0.02 7.02 7.64 -1.26 -1.93 113.62 122.25 1p84 n SER 134 Ca 0.06 -0.89 0.00 0.00 1.01 0.00 0.00 58.87 59.06 1p84 n SER 134 Cb 0.55 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.69 1p84 n SER 134 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1p84 n SER 135 N -0.85 3.35 -0.09 6.43 7.64 -1.26 -4.38 113.62 124.46 1p84 n SER 135 Ca 0.12 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.81 1p84 n SER 135 Cb 0.05 1.02 -0.12 0.00 -1.01 0.00 0.00 64.21 64.15 1p84 n SER 135 CO 0.00 0.00 0.00 -1.13 -3.01 0.00 0.00 175.04 170.90 1p84 h ASN 136 N 0.00 0.00 -0.80 6.43 -1.24 -1.84 -3.26 115.58 114.86 1p84 h ASN 136 Ca -0.08 -0.70 0.06 0.00 0.71 0.00 0.00 56.30 56.29 1p84 h ASN 136 Cb 0.83 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.83 1p84 h ASN 136 CO 0.00 1.28 0.53 0.15 -1.29 0.00 0.00 177.43 178.10 1p84 h PHE 137 N -1.00 0.89 -0.03 0.67 3.57 -1.61 -0.26 116.94 119.18 1p84 h PHE 137 Ca -0.20 0.02 -0.16 0.00 3.53 0.00 0.00 57.97 61.16 1p84 h PHE 137 Cb 1.16 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.60 1p84 h PHE 137 CO 0.17 0.48 -0.71 0.93 -2.23 0.00 0.00 178.31 176.94 1p84 h GLU 138 N 0.89 0.17 0.00 1.11 4.39 -1.77 -0.32 114.58 119.05 1p84 h GLU 138 Ca 0.34 -0.14 -0.13 0.00 0.34 0.00 0.00 59.36 59.77 1p84 h GLU 138 Cb 0.22 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.88 1p84 h GLU 138 CO -0.12 0.81 -0.62 0.00 -1.16 0.00 0.00 179.01 177.92 1p84 h ALA 139 N 1.15 0.61 0.10 3.43 0.00 -1.43 -2.89 119.26 120.23 1p84 h ALA 139 Ca -0.02 -0.57 -0.14 0.00 0.00 0.00 0.00 54.91 54.18 1p84 h ALA 139 Cb 1.27 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.97 1p84 h ALA 139 CO 0.11 0.78 -0.63 1.15 0.00 0.00 0.00 179.25 180.66 1p84 h THR 140 N 0.00 1.57 -0.83 0.00 2.02 -1.01 -3.22 112.91 111.44 1p84 h THR 140 Ca -0.01 -2.45 0.07 0.00 0.77 0.00 0.00 66.41 64.79 1p84 h THR 140 Cb 1.45 3.19 -0.05 0.00 -1.74 0.00 0.00 68.15 71.00 1p84 h THR 140 CO 0.08 0.68 0.54 0.50 0.37 0.00 0.00 175.52 177.70 1p84 h LYS 141 N -0.48 0.86 0.00 6.66 3.64 -1.13 0.54 116.57 126.67 1p84 h LYS 141 Ca -0.11 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.20 1p84 h LYS 141 Cb 1.48 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 33.10 1p84 h LYS 141 CO 0.12 0.57 -0.08 -0.22 -2.27 0.00 0.00 179.45 177.57 1p84 h LYS 142 N 0.89 0.00 0.18 1.90 3.64 -1.59 -2.52 116.57 119.06 1p84 h LYS 142 Ca 0.37 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 59.42 1p84 h LYS 142 Cb 0.28 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.11 1p84 h LYS 142 CO -0.14 0.08 -1.64 0.77 -2.27 0.00 0.00 179.45 176.26 1p84 h SER 143 N 0.00 0.58 0.76 4.20 0.02 -0.93 -3.17 113.55 115.02 1p84 h SER 143 Ca -0.00 -0.92 -0.07 0.00 -0.84 0.00 0.00 61.79 59.96 1p84 h SER 143 Cb 0.52 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 1p84 h SER 143 CO 0.01 1.74 -0.32 -0.37 -1.14 0.00 0.00 176.83 176.75 1p84 h VAL 144 N 0.00 0.82 -0.16 2.27 -1.51 -1.33 -0.77 116.25 115.56 1p84 h VAL 144 Ca -0.33 -1.31 -0.19 0.00 -1.23 0.00 0.00 66.70 63.64 1p84 h VAL 144 Cb 2.02 1.81 -0.00 0.00 -2.13 0.00 0.00 31.29 32.99 1p84 h VAL 144 CO 0.16 0.31 -0.66 -0.07 -1.23 0.00 0.00 177.57 176.08 1p84 h LEU 145 N 0.00 0.72 -0.15 4.19 4.07 -1.57 0.21 115.31 122.78 1p84 h LEU 145 Ca -0.00 -0.43 -0.07 0.00 0.08 0.00 0.00 57.88 57.46 1p84 h LEU 145 Cb 0.78 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 42.30 1p84 h LEU 145 CO 0.04 1.19 -0.31 0.50 -1.08 0.00 0.00 178.44 178.78 1p84 h LYS 146 N 0.45 0.00 0.26 1.13 3.64 -1.48 -2.79 116.57 117.78 1p84 h LYS 146 Ca -0.02 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1p84 h LYS 146 Cb 1.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1p84 h LYS 146 CO 0.13 0.31 -0.12 0.37 -2.27 0.00 0.00 179.45 177.87 1p84 h GLN 147 N 0.00 -0.33 -0.34 1.90 4.15 -0.88 -2.25 115.11 117.37 1p84 h GLN 147 Ca -0.00 0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.43 1p84 h GLN 147 Cb 1.18 0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.93 1p84 h GLN 147 CO 0.04 -0.22 0.16 0.28 -1.93 0.00 0.00 178.83 177.16 1p84 h VAL 148 N -0.94 1.12 -0.28 2.39 2.07 -0.72 -1.87 116.25 118.01 1p84 h VAL 148 Ca -0.04 -0.35 -0.04 0.00 0.82 0.00 0.00 66.70 67.10 1p84 h VAL 148 Cb 0.26 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 1p84 h VAL 148 CO 0.06 0.14 0.01 -0.61 0.02 0.00 0.00 177.57 177.19 1p84 h GLN 149 N 0.47 0.48 -0.80 1.57 4.15 -1.60 -2.45 115.11 116.94 1p84 h GLN 149 Ca 0.12 -0.15 0.04 0.00 0.77 0.00 0.00 58.65 59.43 1p84 h GLN 149 Cb 0.06 -0.05 -0.05 0.00 0.21 0.00 0.00 27.48 27.65 1p84 h GLN 149 CO -0.02 0.63 0.52 0.22 -1.93 0.00 0.00 178.83 178.25 1p84 h ASP 150 N 0.28 0.84 0.08 -0.69 1.82 -0.76 -1.73 116.42 116.26 1p84 h ASP 150 Ca 0.08 -0.01 -0.00 0.00 -0.39 0.00 0.00 57.03 56.71 1p84 h ASP 150 Cb 0.40 -0.19 0.00 0.00 0.68 0.00 0.00 39.33 40.22 1p84 h ASP 150 CO 0.01 0.57 -0.04 0.15 -1.61 0.00 0.00 179.24 178.33 1p84 h PHE 151 N 0.97 -0.10 0.00 0.28 3.57 -1.11 -1.64 116.94 118.91 1p84 h PHE 151 Ca 0.32 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.78 1p84 h PHE 151 Cb 0.06 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 1p84 h PHE 151 CO -0.00 0.02 -0.18 1.49 -2.23 0.00 0.00 178.31 177.40 1p84 h GLU 152 N -0.19 0.00 0.00 1.11 4.57 -1.07 -1.32 114.58 117.68 1p84 h GLU 152 Ca -0.01 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.10 1p84 h GLU 152 Cb 0.16 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 1p84 h GLU 152 CO 0.02 0.18 -0.87 -0.44 -1.18 0.00 0.00 179.01 176.72 1p84 h ASP 153 N 0.00 0.00 0.00 1.04 5.19 -1.10 -3.45 116.42 118.11 1p84 h ASP 153 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1p84 h ASP 153 Cb 0.52 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.03 1p84 h ASP 153 CO 0.02 0.24 -0.22 0.59 -3.12 0.00 0.00 179.24 176.76 1p84 n ASN 154 N -2.90 1.00 -4.26 6.45 3.02 -0.64 -4.94 115.26 113.00 1p84 n ASN 154 Ca -0.02 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.10 1p84 n ASN 154 Cb 0.66 0.07 0.00 0.00 -0.61 0.00 0.00 39.78 39.90 1p84 n ASN 154 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1p84 n ASP 155 N -1.16 4.65 0.03 6.41 -0.08 -0.51 -4.80 116.55 121.09 1p84 n ASP 155 Ca 0.00 -2.91 -0.12 0.00 -1.51 0.00 0.00 54.79 50.25 1p84 n ASP 155 Cb 0.11 -1.68 -0.07 0.00 2.34 0.00 0.00 41.12 41.81 1p84 n ASP 155 CO 0.00 0.00 0.00 0.45 0.12 0.00 0.00 177.20 177.77 1p84 h HIS 156 N 6.91 0.02 -0.85 -0.67 3.86 -1.92 0.76 115.15 123.25 1p84 h HIS 156 Ca 0.47 0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.72 1p84 h HIS 156 Cb 0.78 -0.01 -0.05 0.00 1.06 0.00 0.00 27.41 29.19 1p84 h HIS 156 CO 1.39 0.05 0.54 -1.00 0.86 0.00 0.00 177.93 179.77 1p84 h PRO 157 N -0.02 1.02 -0.03 2.45 0.13 -1.97 0.67 132.00 134.25 1p84 h PRO 157 Ca 0.00 -0.06 -0.20 0.00 -0.87 0.00 0.00 66.00 64.87 1p84 h PRO 157 Cb 0.04 -0.23 -0.00 0.00 0.13 0.00 0.00 31.00 30.94 1p84 h PRO 157 CO -0.00 0.67 -0.85 -0.91 -0.23 0.00 0.00 178.00 176.68 1p84 h ASN 158 N 1.05 0.47 -0.88 1.44 2.35 -1.95 -1.86 115.58 116.19 1p84 h ASN 158 Ca 0.34 -0.35 0.02 0.00 -0.55 0.00 0.00 56.30 55.77 1p84 h ASN 158 Cb 0.04 -0.14 -0.05 0.00 0.05 0.00 0.00 38.32 38.22 1p84 h ASN 158 CO -0.13 1.12 0.58 -0.09 -1.65 0.00 0.00 177.43 177.26 1p84 h ARG 159 N 0.23 1.12 -0.20 0.81 2.43 -0.41 0.12 114.38 118.47 1p84 h ARG 159 Ca -0.06 -0.07 -0.11 0.00 -0.81 0.00 0.00 59.98 58.94 1p84 h ARG 159 Cb 1.46 -0.25 -0.00 0.00 -0.42 0.00 0.00 29.97 30.76 1p84 h ARG 159 CO 0.14 0.74 -0.30 0.28 -1.51 0.00 0.00 179.97 179.32 1p84 h VAL 160 N 1.15 1.33 -0.41 0.20 2.07 -0.74 -1.90 116.25 117.95 1p84 h VAL 160 Ca 0.33 -1.51 -0.05 0.00 0.82 0.00 0.00 66.70 66.29 1p84 h VAL 160 Cb -0.08 1.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 1p84 h VAL 160 CO -0.09 0.47 0.06 0.25 0.02 0.00 0.00 177.57 178.28 1p84 h LEU 161 N 0.24 0.59 -0.45 2.57 5.85 -1.01 0.38 115.31 123.48 1p84 h LEU 161 Ca 0.02 -0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.58 1p84 h LEU 161 Cb 0.88 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.74 1p84 h LEU 161 CO 0.07 0.62 0.06 -0.08 -0.34 0.00 0.00 178.44 178.77 1p84 h GLU 162 N 0.61 0.76 0.00 1.25 4.57 -0.66 -2.43 114.58 118.68 1p84 h GLU 162 Ca 0.13 -0.21 -0.06 0.00 -1.18 0.00 0.00 59.36 58.04 1p84 h GLU 162 Cb 0.30 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.79 1p84 h GLU 162 CO 0.00 0.79 -0.29 0.45 -1.18 0.00 0.00 179.01 178.78 1p84 h HIS 163 N 0.62 0.00 -0.44 0.92 3.86 -0.72 -2.12 115.15 117.27 1p84 h HIS 163 Ca 0.14 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.34 1p84 h HIS 163 Cb 0.40 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.85 1p84 h HIS 163 CO 0.03 0.29 0.26 1.25 0.86 0.00 0.00 177.93 180.62 1p84 h LEU 164 N 0.00 0.53 -0.86 2.43 6.46 -0.46 -1.11 115.31 122.29 1p84 h LEU 164 Ca -0.00 -0.06 -0.08 0.00 -0.12 0.00 0.00 57.88 57.62 1p84 h LEU 164 Cb 0.57 -0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 40.34 1p84 h LEU 164 CO 0.04 0.43 -0.01 0.45 -0.62 0.00 0.00 178.44 178.72 1p84 h HIS 165 N 0.58 0.89 -0.56 1.25 3.86 -1.22 -0.88 115.15 119.08 1p84 h HIS 165 Ca 0.16 -0.13 0.05 0.00 -1.16 0.00 0.00 60.37 59.29 1p84 h HIS 165 Cb -0.00 -0.24 -0.05 0.00 1.06 0.00 0.00 27.41 28.18 1p84 h HIS 165 CO -0.03 0.82 0.28 1.03 0.86 0.00 0.00 177.93 180.89 1p84 h SER 166 N 0.77 0.40 0.37 2.45 0.87 -0.68 -2.08 113.55 115.66 1p84 h SER 166 Ca 0.15 0.03 -0.32 0.00 -1.23 0.00 0.00 61.79 60.42 1p84 h SER 166 Cb 0.48 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.37 1p84 h SER 166 CO 0.02 0.27 -1.75 0.00 -0.53 0.00 0.00 176.83 174.85 1p84 h THR 167 N 0.54 0.86 -0.77 2.23 1.03 -1.14 -2.86 112.91 112.80 1p84 h THR 167 Ca 0.25 -2.62 0.00 0.00 -0.01 0.00 0.00 66.41 64.03 1p84 h THR 167 Cb 0.17 2.54 -0.04 0.00 -1.07 0.00 0.00 68.15 69.75 1p84 h THR 167 CO -0.18 0.71 0.48 0.00 -0.01 0.00 0.00 175.52 176.53 1p84 h ALA 168 N 0.57 1.40 -0.12 0.00 0.00 -1.15 -3.07 119.26 116.89 1p84 h ALA 168 Ca -0.31 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1p84 h ALA 168 Cb 2.02 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.49 1p84 h ALA 168 CO 0.10 0.53 0.00 1.19 0.00 0.00 0.00 179.25 181.08 1p84 n PHE 169 N -4.40 0.36 -1.17 0.00 3.01 -0.79 -0.90 117.46 113.59 1p84 n PHE 169 Ca 0.08 -0.85 -0.40 0.00 1.01 0.00 0.00 57.45 57.30 1p84 n PHE 169 Cb 0.05 -0.18 -0.02 0.00 -0.01 0.00 0.00 39.48 39.32 1p84 n PHE 169 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1p84 n GLN 170 N -0.83 0.00 -3.22 -1.08 10.64 -1.08 -2.12 117.38 119.69 1p84 n GLN 170 Ca 0.15 0.00 -0.23 0.00 -1.83 0.00 0.00 57.00 55.09 1p84 n GLN 170 Cb 0.66 -0.85 0.04 0.00 -0.86 0.00 0.00 30.24 29.23 1p84 n GLN 170 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1p84 n ASN 171 N 1.76 -5.79 -3.59 2.61 5.03 -1.26 -4.97 115.26 109.05 1p84 n ASN 171 Ca 0.14 -0.37 -0.16 0.00 0.87 0.00 0.00 54.58 55.06 1p84 n ASN 171 Cb 0.24 -4.66 -0.07 0.00 -1.02 0.00 0.00 39.78 34.27 1p84 n ASN 171 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1p84 s THR 172 N -3.18 0.01 0.09 3.41 2.01 -0.90 -5.02 115.64 112.05 1p84 s THR 172 Ca 0.39 -0.05 -0.11 0.00 0.31 0.00 0.00 61.69 62.22 1p84 s THR 172 Cb -0.18 -0.93 0.04 0.00 0.01 0.00 0.00 72.50 71.44 1p84 s THR 172 CO 0.48 -0.03 0.69 -2.65 -0.69 0.00 0.00 174.62 172.42 1p84 n PRO 173 N 1.57 -0.15 0.06 4.92 -0.02 -1.26 -1.06 135.00 139.06 1p84 n PRO 173 Ca -0.18 0.69 0.05 0.00 -2.02 0.00 0.00 63.50 62.04 1p84 n PRO 173 Cb 0.56 -1.01 0.26 0.00 -0.02 0.00 0.00 33.50 33.29 1p84 n PRO 173 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1p84 n LEU 174 N -4.61 0.23 0.20 2.45 7.99 -1.26 -2.39 117.00 119.60 1p84 n LEU 174 Ca 0.03 0.60 0.14 0.00 -0.01 0.00 0.00 56.01 56.76 1p84 n LEU 174 Cb 0.15 -0.62 0.40 0.00 -0.11 0.00 0.00 43.42 43.24 1p84 n LEU 174 CO -0.07 -0.63 0.88 0.77 -1.51 0.00 0.00 177.39 176.83 1p84 h SER 175 N 0.00 0.00 -2.90 -1.43 4.64 -1.25 -3.42 113.55 109.18 1p84 h SER 175 Ca 0.00 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.75 1p84 h SER 175 Cb 0.05 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.10 1p84 h SER 175 CO 0.00 0.00 0.93 -0.76 -0.87 0.00 0.00 176.83 176.13 1p84 s LEU 176 N -5.64 4.16 0.26 5.97 2.01 -1.01 -4.11 118.68 120.33 1p84 s LEU 176 Ca 0.06 1.69 -0.30 0.00 0.01 0.00 0.00 54.13 55.59 1p84 s LEU 176 Cb 0.08 -3.54 -0.10 0.00 0.01 0.00 0.00 46.19 42.64 1p84 s LEU 176 CO 0.59 -0.81 1.46 -2.16 1.01 0.00 0.00 176.35 176.43 1p84 s PRO 177 N 3.62 4.25 0.24 1.29 0.04 -1.26 -4.77 135.00 138.41 1p84 s PRO 177 Ca 0.56 2.35 -0.06 0.00 0.04 0.00 0.00 61.00 63.90 1p84 s PRO 177 Cb -0.22 -3.09 0.34 0.00 0.04 0.00 0.00 34.50 31.57 1p84 s PRO 177 CO 0.17 -0.44 1.83 1.79 0.04 0.00 0.00 177.00 180.39 1p84 h THR 178 N 3.47 0.99 0.00 1.26 1.35 -1.94 -1.34 112.91 116.70 1p84 h THR 178 Ca -0.46 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.09 1p84 h THR 178 Cb 1.22 0.04 0.00 0.00 -1.73 0.00 0.00 68.15 67.68 1p84 h THR 178 CO 0.77 0.16 0.00 0.54 -0.25 0.00 0.00 175.52 176.74 1p84 n ARG 179 N -4.68 0.01 -0.10 4.72 3.00 -1.26 -4.48 116.66 113.88 1p84 n ARG 179 Ca 0.12 0.08 0.01 0.00 -0.01 0.00 0.00 57.85 58.05 1p84 n ARG 179 Cb 0.20 -1.50 -0.01 0.00 0.00 0.00 0.00 32.46 31.16 1p84 n ARG 179 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1p84 n GLY 180 N 1.01 -2.63 3.84 -0.13 0.00 -0.51 -4.73 105.19 102.04 1p84 n GLY 180 Ca 0.06 -1.42 -0.36 0.00 0.00 0.00 0.00 46.02 44.30 1p84 n GLY 180 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1p84 s THR 181 N -3.03 4.86 0.57 2.61 -4.23 -1.26 -4.93 115.64 110.23 1p84 s THR 181 Ca 0.00 0.86 0.28 0.00 -1.18 0.00 0.00 61.69 61.66 1p84 s THR 181 Cb 0.00 -3.75 0.39 0.00 1.34 0.00 0.00 72.50 70.48 1p84 s THR 181 CO 0.00 0.30 1.94 -0.07 -0.54 0.00 0.00 174.62 176.25 1p84 h LEU 182 N 3.74 0.00 0.18 4.79 3.38 -1.94 -0.79 115.31 124.67 1p84 h LEU 182 Ca -0.49 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.17 1p84 h LEU 182 Cb 1.20 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.96 1p84 h LEU 182 CO 0.65 0.00 -1.42 -0.33 0.09 0.00 0.00 178.44 177.44 1p84 h GLU 183 N 0.00 0.37 0.00 1.13 3.07 -1.96 -2.76 114.58 114.43 1p84 h GLU 183 Ca 0.22 -0.64 0.00 0.00 -0.50 0.00 0.00 59.36 58.45 1p84 h GLU 183 Cb 1.10 0.24 0.00 0.00 -0.84 0.00 0.00 28.75 29.25 1p84 h GLU 183 CO -0.00 1.29 -0.01 0.66 -1.40 0.00 0.00 179.01 179.55 1p84 h SER 184 N 0.10 0.00 0.03 1.42 4.64 -1.64 -3.31 113.55 114.80 1p84 h SER 184 Ca -0.21 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.11 1p84 h SER 184 Cb 2.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.15 1p84 h SER 184 CO 0.22 0.00 -0.02 -0.07 -0.87 0.00 0.00 176.83 176.10 1p84 h LEU 185 N 0.00 -0.04 0.00 5.97 4.07 -1.23 -3.23 115.31 120.86 1p84 h LEU 185 Ca 0.00 -0.60 0.00 0.00 0.08 0.00 0.00 57.88 57.36 1p84 h LEU 185 Cb 0.94 0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.69 1p84 h LEU 185 CO 0.00 0.73 0.00 -1.84 -1.08 0.00 0.00 178.44 176.25 1p84 n GLU 186 N -4.73 0.01 -0.24 1.13 0.28 -1.04 -1.55 120.64 114.50 1p84 n GLU 186 Ca -0.07 0.35 0.06 0.00 -0.16 0.00 0.00 57.16 57.34 1p84 n GLU 186 Cb 0.31 -1.50 0.18 0.00 1.43 0.00 0.00 31.44 31.86 1p84 n GLU 186 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1p84 n ASN 187 N -1.49 3.17 -4.75 -1.84 2.85 -1.25 -4.99 115.26 106.96 1p84 n ASN 187 Ca 0.02 -2.17 -0.38 0.00 -0.11 0.00 0.00 54.58 51.94 1p84 n ASN 187 Cb 0.09 -0.30 -0.06 0.00 1.24 0.00 0.00 39.78 40.76 1p84 n ASN 187 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 1p84 s LEU 188 N -1.30 4.37 0.32 1.20 2.96 -0.60 -5.07 118.68 120.56 1p84 s LEU 188 Ca 0.28 1.02 0.10 0.00 -0.22 0.00 0.00 54.13 55.30 1p84 s LEU 188 Cb 0.17 -2.81 -0.05 0.00 0.50 0.00 0.00 46.19 43.99 1p84 s LEU 188 CO 0.16 0.08 -0.06 0.68 -1.32 0.00 0.00 176.35 175.89 1p84 s VAL 189 N 0.05 2.60 0.39 1.68 -7.23 -1.26 -5.04 120.40 111.59 1p84 s VAL 189 Ca 0.29 -2.11 0.16 0.00 -1.81 0.00 0.00 61.98 58.51 1p84 s VAL 189 Cb -0.17 -2.67 0.38 0.00 0.56 0.00 0.00 36.38 34.48 1p84 s VAL 189 CO 0.14 -0.26 1.80 0.58 -0.31 0.00 0.00 175.10 177.05 1p84 h VAL 190 N 1.96 0.59 -0.23 1.32 2.07 -1.98 0.88 116.25 120.86 1p84 h VAL 190 Ca -0.42 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 66.93 1p84 h VAL 190 Cb 1.25 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1p84 h VAL 190 CO 0.66 0.08 0.07 0.00 0.02 0.00 0.00 177.57 178.40 1p84 h ALA 191 N 1.62 1.69 -0.43 1.67 0.00 -1.99 -2.29 119.26 119.52 1p84 h ALA 191 Ca 0.56 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 55.26 1p84 h ALA 191 Cb 1.33 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1p84 h ALA 191 CO -0.27 0.24 -0.20 -0.44 0.00 0.00 0.00 179.25 178.57 1p84 h ASP 192 N 0.32 0.93 0.06 0.00 3.45 -1.23 0.91 116.42 120.87 1p84 h ASP 192 Ca 0.08 -0.40 0.02 0.00 0.43 0.00 0.00 57.03 57.15 1p84 h ASP 192 Cb 0.11 -0.26 -0.02 0.00 -0.56 0.00 0.00 39.33 38.60 1p84 h ASP 192 CO -0.01 1.13 -0.15 -0.07 -1.57 0.00 0.00 179.24 178.57 1p84 h LEU 193 N 0.74 -0.43 -0.33 1.55 -0.00 -1.37 -0.39 115.31 115.07 1p84 h LEU 193 Ca 0.10 0.05 0.02 0.00 -0.00 0.00 0.00 57.88 58.05 1p84 h LEU 193 Cb 0.77 0.17 -0.03 0.00 -0.00 0.00 0.00 40.66 41.57 1p84 h LEU 193 CO 0.06 -0.22 0.17 -0.33 -0.00 0.00 0.00 178.44 178.13 1p84 h GLU 194 N -0.28 0.34 -0.50 1.13 5.08 -1.33 0.10 114.58 119.12 1p84 h GLU 194 Ca 0.03 -0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.43 1p84 h GLU 194 Cb 0.32 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.43 1p84 h GLU 194 CO -0.10 0.23 0.19 0.77 -1.00 0.00 0.00 179.01 179.09 1p84 h SER 195 N 0.35 0.21 0.01 1.42 0.02 -0.46 0.16 113.55 115.27 1p84 h SER 195 Ca 0.14 0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 61.14 1p84 h SER 195 Cb 0.04 0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.61 1p84 h SER 195 CO -0.09 0.15 -0.01 0.15 -1.14 0.00 0.00 176.83 175.89 1p84 h PHE 196 N 0.38 -0.01 -0.79 3.45 3.04 -0.75 -3.07 116.94 119.18 1p84 h PHE 196 Ca 0.24 -0.00 0.09 0.00 3.98 0.00 0.00 57.97 62.28 1p84 h PHE 196 Cb 0.23 0.00 -0.07 0.00 2.56 0.00 0.00 35.95 38.68 1p84 h PHE 196 CO -0.15 0.35 0.44 0.00 -2.02 0.00 0.00 178.31 176.93 1p84 h ALA 197 N 0.60 1.11 0.00 2.41 0.00 -0.44 -0.14 119.26 122.80 1p84 h ALA 197 Ca -0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1p84 h ALA 197 Cb 0.37 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1p84 h ALA 197 CO 0.00 0.07 0.00 0.09 0.00 0.00 0.00 179.25 179.41 1p84 n ASN 198 N -4.77 0.00 -0.01 0.00 3.02 0.54 -1.49 115.26 112.55 1p84 n ASN 198 Ca 0.13 0.25 0.03 0.00 -0.03 0.00 0.00 54.58 54.96 1p84 n ASN 198 Cb 0.26 -0.39 -0.07 0.00 -0.61 0.00 0.00 39.78 38.98 1p84 n ASN 198 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1p84 n ASN 199 N -1.39 2.98 0.00 6.41 4.13 -0.22 -4.83 115.26 122.34 1p84 n ASN 199 Ca 0.07 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.33 1p84 n ASN 199 Cb 0.18 1.30 0.00 0.00 -1.54 0.00 0.00 39.78 39.72 1p84 n ASN 199 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 1p84 n HIS 200 N -1.88 0.00 -0.50 3.10 8.25 -0.28 -3.90 115.22 120.01 1p84 n HIS 200 Ca -0.03 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.42 1p84 n HIS 200 Cb 0.31 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.41 1p84 n HIS 200 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1p84 n PHE 201 N -1.77 0.00 -2.25 4.41 0.99 -0.55 -4.80 117.46 113.49 1p84 n PHE 201 Ca 0.00 -0.98 -0.27 0.00 -0.00 0.00 0.00 57.45 56.20 1p84 n PHE 201 Cb 0.40 -0.53 0.17 0.00 -1.00 0.00 0.00 39.48 38.52 1p84 n PHE 201 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 1p84 n LEU 202 N 1.56 0.00 -0.06 4.37 4.77 -1.26 -4.96 117.00 121.42 1p84 n LEU 202 Ca 0.02 -1.80 -0.19 0.00 -0.03 0.00 0.00 56.01 54.00 1p84 n LEU 202 Cb 0.50 -0.86 -0.13 0.00 -2.33 0.00 0.00 43.42 40.59 1p84 n LEU 202 CO 0.00 -1.25 -0.21 -1.13 -1.33 0.00 0.00 177.39 173.48 1p84 h ASN 203 N -1.24 0.12 0.12 -1.43 -1.24 -1.85 -3.33 115.58 106.73 1p84 h ASN 203 Ca -0.39 -0.77 0.00 0.00 0.71 0.00 0.00 56.30 55.85 1p84 h ASN 203 Cb 1.23 -0.04 0.00 0.00 0.73 0.00 0.00 38.32 40.24 1p84 h ASN 203 CO 0.33 1.38 0.00 -1.54 -1.29 0.00 0.00 177.43 176.32 1p84 n SER 204 N -4.33 0.00 -1.70 1.15 3.41 -1.26 -1.33 113.62 109.56 1p84 n SER 204 Ca -0.23 0.32 -0.12 0.00 -0.26 0.00 0.00 58.87 58.58 1p84 n SER 204 Cb 0.69 -0.37 0.07 0.00 -0.26 0.00 0.00 64.21 64.35 1p84 n SER 204 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1p84 n ASN 205 N -1.37 3.55 -4.11 4.04 5.15 -1.25 -5.04 115.26 116.23 1p84 n ASN 205 Ca 0.02 -3.53 -0.09 0.00 -0.60 0.00 0.00 54.58 50.37 1p84 n ASN 205 Cb 0.04 -0.40 -0.10 0.00 -0.53 0.00 0.00 39.78 38.79 1p84 n ASN 205 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1p84 s ALA 206 N -3.36 0.67 -0.21 5.20 0.00 -0.44 -1.70 121.76 121.92 1p84 s ALA 206 Ca 0.44 -1.33 -0.08 0.00 0.00 0.00 0.00 51.96 50.99 1p84 s ALA 206 Cb 0.39 0.69 0.09 0.00 0.00 0.00 0.00 23.12 24.28 1p84 s ALA 206 CO -0.01 -0.47 0.45 0.08 0.00 0.00 0.00 175.76 175.81 1p84 s VAL 207 N -4.00 -0.57 -0.24 0.00 1.01 -0.62 -4.60 120.40 111.39 1p84 s VAL 207 Ca 0.18 0.14 -0.21 0.00 0.00 0.00 0.00 61.98 62.09 1p84 s VAL 207 Cb 0.07 -0.70 -0.02 0.00 0.00 0.00 0.00 36.38 35.73 1p84 s VAL 207 CO -0.02 0.06 0.65 0.54 0.00 0.00 0.00 175.10 176.33 1p84 s VAL 208 N 2.43 4.98 0.02 2.92 0.11 -1.11 -0.20 120.40 129.54 1p84 s VAL 208 Ca -0.04 1.20 0.02 0.00 -2.93 0.00 0.00 61.98 60.23 1p84 s VAL 208 Cb -0.11 -3.96 -0.04 0.00 -1.53 0.00 0.00 36.38 30.74 1p84 s VAL 208 CO -0.14 0.04 0.03 -0.69 -3.33 0.00 0.00 175.10 171.02 1p84 s VAL 209 N 2.37 4.34 -0.19 2.04 1.01 0.25 -1.45 120.40 128.77 1p84 s VAL 209 Ca 0.28 -0.63 -0.04 0.00 0.00 0.00 0.00 61.98 61.59 1p84 s VAL 209 Cb -0.16 -2.99 0.09 0.00 0.00 0.00 0.00 36.38 33.32 1p84 s VAL 209 CO 0.09 0.30 0.21 -0.83 0.00 0.00 0.00 175.10 174.87 1p84 s GLY 210 N -1.83 0.02 0.23 4.51 0.00 -0.63 -1.60 107.32 108.01 1p84 s GLY 210 Ca 0.23 0.29 0.06 0.00 0.00 0.00 0.00 44.72 45.29 1p84 s GLY 210 CO 0.14 2.09 -0.07 -0.51 0.00 0.00 0.00 173.10 174.74 1p84 s THR 211 N 2.32 1.43 0.00 0.90 -4.23 -0.48 -2.29 115.64 113.30 1p84 s THR 211 Ca 0.06 -2.11 0.00 0.00 -1.18 0.00 0.00 61.69 58.46 1p84 s THR 211 Cb -0.15 -2.22 0.00 0.00 1.34 0.00 0.00 72.50 71.47 1p84 s THR 211 CO -0.11 -0.46 0.00 0.61 -0.54 0.00 0.00 174.62 174.12 1p84 n GLY 212 N -0.43 1.32 0.00 3.99 0.00 -1.25 0.18 105.19 109.00 1p84 n GLY 212 Ca -0.07 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1p84 n GLY 212 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1p84 n ASN 213 N 0.00 0.00 -4.70 1.61 6.94 -1.25 -3.24 115.26 114.63 1p84 n ASN 213 Ca 0.00 0.00 -0.41 0.00 -0.02 0.00 0.00 54.58 54.15 1p84 n ASN 213 Cb 0.00 0.00 0.02 0.00 -2.36 0.00 0.00 39.78 37.44 1p84 n ASN 213 CO 0.00 0.00 0.00 2.30 -1.03 0.00 0.00 177.26 178.53 1p84 n ILE 214 N -0.24 2.69 -2.22 1.53 -6.64 -1.26 -4.35 119.36 108.87 1p84 n ILE 214 Ca 0.00 -0.50 -0.32 0.00 -1.77 0.00 0.00 62.75 60.16 1p84 n ILE 214 Cb 0.00 -1.54 -0.01 0.00 -1.44 0.00 0.00 39.64 36.65 1p84 n ILE 214 CO 0.00 0.00 0.00 -0.54 -1.77 0.00 0.00 176.55 174.24 1p84 s LYS 215 N -2.27 3.66 0.22 6.28 1.02 -1.26 -4.44 119.74 122.96 1p84 s LYS 215 Ca 0.62 1.05 -0.08 0.00 0.02 0.00 0.00 55.97 57.58 1p84 s LYS 215 Cb -0.50 -2.09 0.21 0.00 -0.52 0.00 0.00 37.83 34.93 1p84 s LYS 215 CO 0.57 -0.52 1.89 1.25 -0.92 0.00 0.00 175.35 177.62 1p84 h HIS 216 N 0.66 1.03 0.00 3.18 -0.00 -1.93 -1.55 115.15 116.53 1p84 h HIS 216 Ca -0.47 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 59.93 1p84 h HIS 216 Cb 1.20 -0.35 0.00 0.00 -0.00 0.00 0.00 27.41 28.26 1p84 h HIS 216 CO 0.62 0.63 0.00 0.93 -0.00 0.00 0.00 177.93 180.10 1p84 h GLU 217 N 1.09 0.00 0.05 5.26 5.08 -1.99 -2.06 114.58 122.02 1p84 h GLU 217 Ca 0.32 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.55 1p84 h GLU 217 Cb -0.08 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.19 1p84 h GLU 217 CO -0.08 0.00 -0.51 0.22 -1.00 0.00 0.00 179.01 177.64 1p84 h ASP 218 N 0.00 0.36 -0.01 1.42 1.82 -1.67 -3.30 116.42 115.04 1p84 h ASP 218 Ca 0.00 -0.87 -0.03 0.00 -0.39 0.00 0.00 57.03 55.74 1p84 h ASP 218 Cb 0.65 -0.11 0.00 0.00 0.68 0.00 0.00 39.33 40.55 1p84 h ASP 218 CO 0.00 1.19 -0.12 0.25 -1.61 0.00 0.00 179.24 178.95 1p84 h LEU 219 N -0.43 0.12 -1.97 2.28 5.85 -1.45 -3.29 115.31 116.42 1p84 h LEU 219 Ca -0.08 -0.74 0.22 0.00 0.84 0.00 0.00 57.88 58.12 1p84 h LEU 219 Cb 1.32 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.28 1p84 h LEU 219 CO 0.10 0.84 0.59 1.62 -0.34 0.00 0.00 178.44 181.25 1p84 h VAL 220 N -0.59 0.51 -0.02 1.05 3.04 -1.54 -1.41 116.25 117.28 1p84 h VAL 220 Ca -0.01 0.00 -0.06 0.00 -1.01 0.00 0.00 66.70 65.62 1p84 h VAL 220 Cb 0.85 0.57 0.00 0.00 -2.01 0.00 0.00 31.29 30.71 1p84 h VAL 220 CO 0.02 0.00 -0.22 0.78 -1.01 0.00 0.00 177.57 177.15 1p84 h ASN 221 N 0.00 0.22 0.30 3.17 2.35 -1.64 -1.41 115.58 118.58 1p84 h ASN 221 Ca 0.36 -0.72 0.00 0.00 -0.55 0.00 0.00 56.30 55.39 1p84 h ASN 221 Cb 1.54 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.84 1p84 h ASN 221 CO -0.00 0.91 0.00 0.28 -1.65 0.00 0.00 177.43 176.97 1p84 h SER 222 N -0.44 0.00 0.03 5.81 0.02 -1.35 -2.25 113.55 115.38 1p84 h SER 222 Ca -0.02 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.62 1p84 h SER 222 Cb 0.93 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.43 1p84 h SER 222 CO 0.04 0.00 -1.69 -0.38 -1.14 0.00 0.00 176.83 173.67 1p84 n ILE 223 N -2.86 1.60 1.16 3.27 5.41 -0.94 -4.10 119.36 122.90 1p84 n ILE 223 Ca -0.01 -0.27 0.09 0.00 1.00 0.00 0.00 62.75 63.56 1p84 n ILE 223 Cb 0.13 -1.91 0.56 0.00 -0.71 0.00 0.00 39.64 37.71 1p84 n ILE 223 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1p84 n GLU 224 N -4.10 0.56 0.02 0.38 2.13 -0.53 -3.11 120.64 116.00 1p84 n GLU 224 Ca -0.36 0.01 -0.02 0.00 0.66 0.00 0.00 57.16 57.46 1p84 n GLU 224 Cb 0.82 -1.50 -0.01 0.00 0.27 0.00 0.00 31.44 31.02 1p84 n GLU 224 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1p84 h SER 225 N 0.00 -0.11 -3.11 4.31 0.87 -1.56 -3.43 113.55 110.53 1p84 h SER 225 Ca 0.00 0.00 -0.57 0.00 -1.23 0.00 0.00 61.79 60.00 1p84 h SER 225 Cb 0.02 0.03 -0.05 0.00 -0.44 0.00 0.00 62.40 61.96 1p84 h SER 225 CO 0.00 0.18 0.96 -0.54 -0.53 0.00 0.00 176.83 176.91 1p84 s LYS 226 N -1.86 3.95 0.00 2.24 1.02 -1.18 -5.01 119.74 118.91 1p84 s LYS 226 Ca -0.02 1.31 0.00 0.00 0.02 0.00 0.00 55.97 57.28 1p84 s LYS 226 Cb 0.00 -3.87 0.00 0.00 -0.52 0.00 0.00 37.83 33.45 1p84 s LYS 226 CO 0.05 -1.07 0.00 -1.71 -0.92 0.00 0.00 175.35 171.71 1p84 n ASN 227 N 7.51 0.00 -1.39 2.83 4.05 -1.26 -4.95 115.26 122.05 1p84 n ASN 227 Ca 0.15 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.18 1p84 n ASN 227 Cb 0.46 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.47 1p84 n ASN 227 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 177.26 174.10 1p84 n LEU 228 N 0.00 -4.44 -0.03 1.20 7.94 -1.26 -4.99 117.00 115.41 1p84 n LEU 228 Ca 0.00 1.94 -0.20 0.00 -1.11 0.00 0.00 56.01 56.64 1p84 n LEU 228 Cb 0.00 -2.19 -0.13 0.00 0.53 0.00 0.00 43.42 41.63 1p84 n LEU 228 CO 0.00 -0.97 -0.31 0.28 -1.11 0.00 0.00 177.39 175.28 1p84 h SER 229 N 2.48 0.23 -5.07 1.96 0.02 -2.03 -3.51 113.55 107.63 1p84 h SER 229 Ca 0.00 -0.80 0.00 0.00 -0.84 0.00 0.00 61.79 60.16 1p84 h SER 229 Cb 0.00 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.44 1p84 h SER 229 CO 0.00 1.48 -1.11 -0.11 -1.14 0.00 0.00 176.83 175.96 1p84 n LEU 230 N -4.16 -7.58 -3.03 5.07 -0.00 -1.26 -4.57 117.00 101.48 1p84 n LEU 230 Ca -0.24 1.60 -0.11 0.00 -0.00 0.00 0.00 56.01 57.27 1p84 n LEU 230 Cb 0.78 -3.31 0.05 0.00 -0.00 0.00 0.00 43.42 40.93 1p84 n LEU 230 CO 0.35 -3.36 0.09 0.00 -0.00 0.00 0.00 177.39 174.47 1p84 n GLN 231 N 0.90 -1.83 -3.65 1.96 6.02 -1.26 -4.74 117.38 114.77 1p84 n GLN 231 Ca -0.09 0.91 -0.30 0.00 -0.01 0.00 0.00 57.00 57.52 1p84 n GLN 231 Cb 0.13 -5.38 -0.04 0.00 1.02 0.00 0.00 30.24 25.98 1p84 n GLN 231 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 1p84 s THR 232 N -3.27 5.16 0.00 5.09 -1.32 -1.26 -4.21 115.64 115.83 1p84 s THR 232 Ca 0.32 -0.07 0.00 0.00 -1.21 0.00 0.00 61.69 60.73 1p84 s THR 232 Cb -0.04 -3.66 0.00 0.00 -1.51 0.00 0.00 72.50 67.29 1p84 s THR 232 CO 0.67 -0.05 0.00 0.61 -2.21 0.00 0.00 174.62 173.64 1p84 n GLY 233 N -0.20 2.67 3.75 6.08 0.00 -1.26 -5.02 105.19 111.21 1p84 n GLY 233 Ca -0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 1p84 n GLY 233 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1p84 s THR 234 N -2.10 4.03 0.12 2.61 2.01 -1.26 -5.07 115.64 115.99 1p84 s THR 234 Ca 0.00 1.96 0.10 0.00 0.31 0.00 0.00 61.69 64.06 1p84 s THR 234 Cb 0.00 -4.25 -0.04 0.00 0.01 0.00 0.00 72.50 68.22 1p84 s THR 234 CO 0.00 0.43 -0.25 -0.54 -0.69 0.00 0.00 174.62 173.57 1p84 s LYS 235 N -0.98 1.31 0.74 4.92 1.02 -1.26 -4.59 119.74 120.90 1p84 s LYS 235 Ca 0.43 -1.29 -0.11 0.00 0.02 0.00 0.00 55.97 55.02 1p84 s LYS 235 Cb -0.27 -1.73 0.04 0.00 -0.52 0.00 0.00 37.83 35.35 1p84 s LYS 235 CO 0.33 0.41 1.08 -1.25 -0.92 0.00 0.00 175.35 174.99 1p84 s PRO 236 N -2.03 2.53 0.84 -1.68 0.04 -1.25 -5.02 135.00 128.42 1p84 s PRO 236 Ca 0.12 0.98 -0.10 0.00 0.04 0.00 0.00 61.00 62.04 1p84 s PRO 236 Cb -0.10 -1.94 0.10 0.00 0.04 0.00 0.00 34.50 32.60 1p84 s PRO 236 CO 0.06 -1.39 1.12 0.08 0.04 0.00 0.00 177.00 176.90 1p84 s VAL 237 N -3.01 2.74 0.48 -0.36 1.01 -1.26 -5.06 120.40 114.95 1p84 s VAL 237 Ca 0.60 0.24 0.07 0.00 0.00 0.00 0.00 61.98 62.89 1p84 s VAL 237 Cb -0.15 -2.52 0.07 0.00 0.00 0.00 0.00 36.38 33.78 1p84 s VAL 237 CO 0.55 -0.31 0.60 0.18 0.00 0.00 0.00 175.10 176.12 1p84 n LEU 238 N -3.84 0.00 0.00 3.92 7.99 -1.26 -5.14 117.00 118.67 1p84 n LEU 238 Ca 0.10 -2.18 0.00 0.00 -0.01 0.00 0.00 56.01 53.92 1p84 n LEU 238 Cb 0.53 -0.28 0.00 0.00 -0.11 0.00 0.00 43.42 43.55 1p84 n LEU 238 CO 0.51 -0.64 0.00 2.29 -1.51 0.00 0.00 177.39 178.04 1p84 n LYS 239 N -1.95 0.00 -5.19 3.23 -0.00 -1.26 -5.16 118.16 107.82 1p84 n LYS 239 Ca 0.10 0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 58.09 1p84 n LYS 239 Cb 0.51 0.00 -0.16 0.00 -0.00 0.00 0.00 35.03 35.38 1p84 n LYS 239 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1p84 s LYS 240 N 2.76 2.74 0.31 -1.58 2.20 -1.26 -5.11 119.74 119.79 1p84 s LYS 240 Ca 0.00 -0.87 -0.29 0.00 -0.36 0.00 0.00 55.97 54.45 1p84 s LYS 240 Cb 0.00 -2.25 -0.13 0.00 -1.51 0.00 0.00 37.83 33.95 1p84 s LYS 240 CO 0.00 0.33 1.33 0.36 -0.36 0.00 0.00 175.35 177.01 1p84 n LYS 241 N 3.09 2.08 -2.06 4.03 -0.00 -1.26 -4.71 118.16 119.34 1p84 n LYS 241 Ca -0.18 0.73 -0.41 0.00 -0.00 0.00 0.00 58.31 58.46 1p84 n LYS 241 Cb 0.52 -2.34 -0.02 0.00 -0.00 0.00 0.00 35.03 33.19 1p84 n LYS 241 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1p84 s ALA 242 N -0.72 3.58 0.01 0.58 0.00 -1.26 -4.95 121.76 119.00 1p84 s ALA 242 Ca 0.60 1.29 0.02 0.00 0.00 0.00 0.00 51.96 53.86 1p84 s ALA 242 Cb -0.60 -3.53 -0.01 0.00 0.00 0.00 0.00 23.12 18.98 1p84 s ALA 242 CO 0.58 -0.70 -0.07 0.00 0.00 0.00 0.00 175.76 175.58 1p84 s ALA 243 N -0.33 0.52 0.20 0.00 0.00 -1.26 -4.86 121.76 116.03 1p84 s ALA 243 Ca 0.56 -0.45 -0.20 0.00 0.00 0.00 0.00 51.96 51.87 1p84 s ALA 243 Cb -0.41 -0.05 -0.08 0.00 0.00 0.00 0.00 23.12 22.58 1p84 s ALA 243 CO 0.46 0.06 0.70 0.12 0.00 0.00 0.00 175.76 177.10 1p84 s PHE 244 N -0.63 3.67 -0.05 0.00 5.36 -1.26 -4.44 117.98 120.63 1p84 s PHE 244 Ca -0.03 1.37 -0.02 0.00 -0.96 0.00 0.00 56.93 57.29 1p84 s PHE 244 Cb -0.05 -2.60 0.03 0.00 -0.34 0.00 0.00 43.02 40.06 1p84 s PHE 244 CO 0.00 0.37 0.07 -1.17 -1.46 0.00 0.00 175.22 173.03 1p84 s LEU 245 N -1.86 0.14 -0.06 6.12 2.96 -0.07 -5.02 118.68 120.88 1p84 s LEU 245 Ca 0.41 0.05 -0.29 0.00 -0.22 0.00 0.00 54.13 54.08 1p84 s LEU 245 Cb -0.17 -0.12 -0.07 0.00 0.50 0.00 0.00 46.19 46.33 1p84 s LEU 245 CO 0.21 -0.26 2.08 -0.83 -1.32 0.00 0.00 176.35 176.23 1p84 s GLY 246 N 2.18 1.07 0.14 7.98 0.00 -1.26 -4.55 107.32 112.87 1p84 s GLY 246 Ca 0.05 1.11 -0.10 0.00 0.00 0.00 0.00 44.72 45.77 1p84 s GLY 246 CO -0.04 3.62 0.51 -1.14 0.00 0.00 0.00 173.10 176.06 1p84 n SER 247 N 9.25 -1.03 -3.56 1.64 3.41 -0.98 -4.95 113.62 117.40 1p84 n SER 247 Ca 0.24 -1.61 -0.11 0.00 -0.26 0.00 0.00 58.87 57.13 1p84 n SER 247 Cb 0.43 1.69 -0.04 0.00 -0.26 0.00 0.00 64.21 66.03 1p84 n SER 247 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1p84 s GLU 248 N -2.03 1.13 -0.08 4.33 -1.05 -1.26 -1.77 118.70 117.96 1p84 s GLU 248 Ca 0.11 -0.58 -0.03 0.00 -0.15 0.00 0.00 54.97 54.32 1p84 s GLU 248 Cb -0.02 0.50 0.04 0.00 -0.44 0.00 0.00 34.13 34.22 1p84 s GLU 248 CO 0.04 -0.45 0.11 0.54 0.95 0.00 0.00 175.26 176.45 1p84 s VAL 249 N -3.63 -0.18 -0.28 1.83 0.11 -0.91 -4.97 120.40 112.37 1p84 s VAL 249 Ca 0.01 0.31 -0.05 0.00 -2.93 0.00 0.00 61.98 59.33 1p84 s VAL 249 Cb 0.01 -0.28 0.02 0.00 -1.53 0.00 0.00 36.38 34.59 1p84 s VAL 249 CO -0.11 0.10 0.03 -0.13 -3.33 0.00 0.00 175.10 171.66 1p84 s ARG 250 N 2.23 2.98 -0.95 1.54 0.52 -1.26 -2.93 118.95 121.08 1p84 s ARG 250 Ca 0.04 -0.91 -0.00 0.00 -0.52 0.00 0.00 55.73 54.34 1p84 s ARG 250 Cb -0.13 -3.23 0.32 0.00 0.52 0.00 0.00 34.95 32.43 1p84 s ARG 250 CO -0.05 -0.44 1.63 1.28 0.02 0.00 0.00 175.30 177.74 1p84 n LEU 251 N 4.79 6.72 -4.68 2.53 4.77 0.08 -4.99 117.00 126.22 1p84 n LEU 251 Ca -0.15 -5.43 -0.44 0.00 -0.03 0.00 0.00 56.01 49.96 1p84 n LEU 251 Cb 0.47 -1.06 -0.01 0.00 -2.33 0.00 0.00 43.42 40.49 1p84 n LEU 251 CO 0.30 2.08 0.92 -1.14 -1.33 0.00 0.00 177.39 178.21 1p84 n ARG 252 N 0.03 2.03 -3.25 3.23 0.63 -1.26 -3.51 116.66 114.55 1p84 n ARG 252 Ca 0.42 0.72 -0.05 0.00 -0.92 0.00 0.00 57.85 58.02 1p84 n ARG 252 Cb 0.29 -2.31 -0.04 0.00 0.45 0.00 0.00 32.46 30.85 1p84 n ARG 252 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1p84 s ASP 253 N -0.09 -0.40 0.00 6.15 -1.08 -0.79 -4.77 116.67 115.70 1p84 s ASP 253 Ca 0.61 -0.48 0.16 0.00 -0.52 0.00 0.00 52.55 52.31 1p84 s ASP 253 Cb -0.61 1.44 0.79 0.00 -1.46 0.00 0.00 42.92 43.07 1p84 s ASP 253 CO 0.57 -0.29 1.45 0.47 0.52 0.00 0.00 175.17 177.89 1p84 n ASP 254 N 5.03 0.00 0.02 -0.34 8.00 -1.26 -2.60 116.55 125.40 1p84 n ASP 254 Ca 0.05 0.07 0.12 0.00 0.71 0.00 0.00 54.79 55.75 1p84 n ASP 254 Cb 0.51 -0.29 0.29 0.00 -0.02 0.00 0.00 41.12 41.61 1p84 n ASP 254 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1p84 n THR 255 N -1.29 0.10 -2.78 -3.53 -2.24 -1.26 -4.86 114.28 98.42 1p84 n THR 255 Ca 0.07 -0.08 -0.34 0.00 -2.27 0.00 0.00 64.05 61.44 1p84 n THR 255 Cb 0.13 0.02 -0.06 0.00 -2.10 0.00 0.00 70.33 68.32 1p84 n THR 255 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1p84 s LEU 256 N -3.35 3.99 0.00 3.22 1.43 -1.07 -4.98 118.68 117.92 1p84 s LEU 256 Ca 0.10 1.74 0.29 0.00 -1.03 0.00 0.00 54.13 55.24 1p84 s LEU 256 Cb 0.17 -4.47 1.36 0.00 0.03 0.00 0.00 46.19 43.28 1p84 s LEU 256 CO 0.68 -0.37 1.95 -0.81 0.23 0.00 0.00 176.35 178.03 1p84 n PRO 257 N -0.51 0.51 -3.10 1.29 -0.04 -1.26 -4.47 135.00 127.42 1p84 n PRO 257 Ca 0.07 -0.09 -0.10 0.00 -0.04 0.00 0.00 63.50 63.33 1p84 n PRO 257 Cb 0.53 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.46 1p84 n PRO 257 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1p84 n LYS 258 N -1.17 0.36 -4.14 0.54 5.02 -1.26 -4.79 118.16 112.73 1p84 n LYS 258 Ca 0.14 -1.62 -0.25 0.00 -2.02 0.00 0.00 58.31 54.55 1p84 n LYS 258 Cb 0.26 1.20 -0.17 0.00 -0.02 0.00 0.00 35.03 36.30 1p84 n LYS 258 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1p84 s ALA 259 N -2.62 1.20 -0.21 7.82 0.00 -0.21 -1.56 121.76 126.18 1p84 s ALA 259 Ca 0.16 -0.43 -0.02 0.00 0.00 0.00 0.00 51.96 51.68 1p84 s ALA 259 Cb 0.01 -0.74 0.00 0.00 0.00 0.00 0.00 23.12 22.39 1p84 s ALA 259 CO 0.12 -0.21 -0.10 -1.58 0.00 0.00 0.00 175.76 173.98 1p84 s TRP 260 N 1.32 2.90 0.04 0.00 0.51 -0.79 -1.06 118.94 121.85 1p84 s TRP 260 Ca -0.03 -1.24 0.03 0.00 -2.12 0.00 0.00 56.10 52.74 1p84 s TRP 260 Cb -0.14 -2.03 -0.02 0.00 -0.81 0.00 0.00 33.47 30.47 1p84 s TRP 260 CO -0.03 -0.66 -0.11 0.96 -0.51 0.00 0.00 176.95 176.60 1p84 s ILE 261 N 1.40 0.80 -0.01 2.03 -5.25 -0.62 -1.71 121.20 117.83 1p84 s ILE 261 Ca 0.05 -1.04 0.03 0.00 -0.99 0.00 0.00 60.65 58.71 1p84 s ILE 261 Cb -0.14 -0.79 -0.01 0.00 2.95 0.00 0.00 42.46 44.48 1p84 s ILE 261 CO -0.07 -0.21 -0.11 -0.44 -1.79 0.00 0.00 174.94 172.32 1p84 s SER 262 N -1.39 1.27 -0.01 4.36 0.01 -0.41 -0.96 113.70 116.57 1p84 s SER 262 Ca -0.04 -0.20 -0.01 0.00 1.31 0.00 0.00 55.95 57.01 1p84 s SER 262 Cb -0.09 -0.18 0.00 0.00 0.21 0.00 0.00 66.02 65.96 1p84 s SER 262 CO 0.01 0.12 0.02 -0.22 0.41 0.00 0.00 173.24 173.58 1p84 s LEU 263 N -0.17 1.90 0.18 2.44 0.20 -0.42 -2.31 118.68 120.50 1p84 s LEU 263 Ca 0.03 0.05 -0.23 0.00 0.69 0.00 0.00 54.13 54.67 1p84 s LEU 263 Cb -0.05 0.07 0.06 0.00 -0.43 0.00 0.00 46.19 45.84 1p84 s LEU 263 CO -0.00 -0.01 0.62 0.00 -0.29 0.00 0.00 176.35 176.67 1p84 s ALA 264 N 0.03 -1.53 0.45 5.97 0.00 -0.72 -1.19 121.76 124.76 1p84 s ALA 264 Ca -0.00 0.34 0.06 0.00 0.00 0.00 0.00 51.96 52.36 1p84 s ALA 264 Cb -0.00 0.88 -0.03 0.00 0.00 0.00 0.00 23.12 23.96 1p84 s ALA 264 CO -0.00 -0.82 0.20 0.14 0.00 0.00 0.00 175.76 175.28 1p84 s VAL 265 N -3.78 2.04 -0.04 0.00 -7.23 0.11 -0.40 120.40 111.11 1p84 s VAL 265 Ca 0.03 -1.70 -0.30 0.00 -1.81 0.00 0.00 61.98 58.20 1p84 s VAL 265 Cb -0.02 -2.74 -0.06 0.00 0.56 0.00 0.00 36.38 34.12 1p84 s VAL 265 CO -0.09 0.00 1.60 -0.70 -0.31 0.00 0.00 175.10 175.60 1p84 s GLU 266 N -3.97 4.20 0.00 4.82 2.12 -1.26 -1.96 118.70 122.64 1p84 s GLU 266 Ca 0.35 2.15 0.00 0.00 0.36 0.00 0.00 54.97 57.84 1p84 s GLU 266 Cb 0.03 -3.88 0.00 0.00 0.26 0.00 0.00 34.13 30.54 1p84 s GLU 266 CO 0.20 -0.79 0.00 0.41 -0.54 0.00 0.00 175.26 174.53 1p84 n GLY 267 N 4.03 1.34 3.30 -1.50 0.00 0.60 -4.67 105.19 108.28 1p84 n GLY 267 Ca 0.16 -1.53 -0.31 0.00 0.00 0.00 0.00 46.02 44.34 1p84 n GLY 267 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1p84 s GLU 268 N 2.17 2.22 0.58 1.61 0.41 -1.26 -4.43 118.70 120.00 1p84 s GLU 268 Ca 0.00 -0.92 -0.09 0.00 -0.41 0.00 0.00 54.97 53.55 1p84 s GLU 268 Cb 0.00 -2.06 -0.03 0.00 -1.78 0.00 0.00 34.13 30.26 1p84 s GLU 268 CO 0.00 0.51 0.95 -1.25 -0.49 0.00 0.00 175.26 174.98 1p84 s PRO 269 N -0.48 3.47 0.42 0.39 0.04 -1.26 -4.04 135.00 133.54 1p84 s PRO 269 Ca 0.06 0.51 -0.26 0.00 0.04 0.00 0.00 61.00 61.36 1p84 s PRO 269 Cb -0.11 -2.18 -0.08 0.00 0.04 0.00 0.00 34.50 32.17 1p84 s PRO 269 CO 0.00 -0.51 1.28 0.14 0.04 0.00 0.00 177.00 177.96 1p84 s VAL 270 N -3.05 2.67 -0.34 -0.36 -7.23 0.54 -3.25 120.40 109.39 1p84 s VAL 270 Ca 0.53 0.59 -0.00 0.00 -1.81 0.00 0.00 61.98 61.28 1p84 s VAL 270 Cb -0.11 -3.34 -0.00 0.00 0.56 0.00 0.00 36.38 33.49 1p84 s VAL 270 CO 0.50 0.07 0.28 -3.20 -0.31 0.00 0.00 175.10 172.45 1p84 n ASN 271 N 0.03 -2.31 -4.15 4.85 5.15 -1.26 -4.85 115.26 112.72 1p84 n ASN 271 Ca 0.04 -0.18 -0.23 0.00 -0.60 0.00 0.00 54.58 53.61 1p84 n ASN 271 Cb 0.44 -1.84 -0.15 0.00 -0.53 0.00 0.00 39.78 37.71 1p84 n ASN 271 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1p84 s SER 272 N -3.33 1.84 0.66 1.20 0.15 -1.20 -5.03 113.70 107.99 1p84 s SER 272 Ca 0.03 -0.35 0.35 0.00 0.70 0.00 0.00 55.95 56.68 1p84 s SER 272 Cb -0.00 -0.18 1.93 0.00 -1.71 0.00 0.00 66.02 66.06 1p84 s SER 272 CO 0.21 0.15 2.11 -0.65 1.20 0.00 0.00 173.24 176.25 1p84 h PRO 273 N 5.45 0.00 -0.27 5.44 0.11 -1.97 -1.83 132.00 138.93 1p84 h PRO 273 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1p84 h PRO 273 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1p84 h PRO 273 CO 0.47 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.35 1p84 n ASN 274 N -3.07 3.05 -0.34 -2.05 4.13 -1.26 -4.70 115.26 111.01 1p84 n ASN 274 Ca -0.02 -2.31 0.20 0.00 1.68 0.00 0.00 54.58 54.13 1p84 n ASN 274 Cb 0.27 -0.30 0.42 0.00 -1.54 0.00 0.00 39.78 38.63 1p84 n ASN 274 CO 0.00 0.00 0.00 0.22 0.28 0.00 0.00 177.26 177.76 1p84 h TYR 275 N 1.66 0.94 0.20 3.10 3.20 -1.63 -1.87 116.97 122.57 1p84 h TYR 275 Ca 0.00 0.03 -0.34 0.00 3.14 0.00 0.00 58.73 61.56 1p84 h TYR 275 Cb 0.90 -0.27 0.02 0.00 1.54 0.00 0.00 36.73 38.92 1p84 h TYR 275 CO 0.27 0.03 -1.66 0.74 -1.64 0.00 0.00 178.16 175.89 1p84 h PHE 276 N 0.51 0.77 -0.57 -3.82 -1.00 -1.84 -2.98 116.94 108.01 1p84 h PHE 276 Ca 0.65 -0.56 0.07 0.00 2.81 0.00 0.00 57.97 60.94 1p84 h PHE 276 Cb 1.36 -0.03 -0.06 0.00 3.61 0.00 0.00 35.95 40.83 1p84 h PHE 276 CO -0.01 1.65 0.26 0.28 -1.61 0.00 0.00 178.31 178.88 1p84 h VAL 277 N 0.08 0.88 0.19 -0.55 2.07 -1.74 0.12 116.25 117.31 1p84 h VAL 277 Ca -0.32 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 1p84 h VAL 277 Cb 2.09 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 32.21 1p84 h VAL 277 CO 0.19 0.09 -0.09 0.00 0.02 0.00 0.00 177.57 177.78 1p84 h ALA 278 N 1.34 -0.26 -0.03 1.67 0.00 -1.49 0.13 119.26 120.61 1p84 h ALA 278 Ca 0.27 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1p84 h ALA 278 Cb 0.24 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1p84 h ALA 278 CO -0.22 -0.61 0.03 0.87 0.00 0.00 0.00 179.25 179.31 1p84 h LYS 279 N -0.33 0.00 0.01 0.00 1.57 -1.26 -1.26 116.57 115.30 1p84 h LYS 279 Ca -0.03 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.58 1p84 h LYS 279 Cb 0.25 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.58 1p84 h LYS 279 CO 0.04 0.00 -0.68 1.25 -0.57 0.00 0.00 179.45 179.49 1p84 h LEU 280 N 0.00 0.59 -1.62 2.94 6.46 -0.18 -3.09 115.31 120.40 1p84 h LEU 280 Ca 0.02 -0.77 0.08 0.00 -0.12 0.00 0.00 57.88 57.09 1p84 h LEU 280 Cb 0.07 -0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 39.79 1p84 h LEU 280 CO -0.00 1.28 0.39 0.00 -0.62 0.00 0.00 178.44 179.48 1p84 h ALA 281 N 0.32 1.96 -0.01 1.25 0.00 0.36 -0.28 119.26 122.87 1p84 h ALA 281 Ca -0.09 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.65 1p84 h ALA 281 Cb 1.39 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 1p84 h ALA 281 CO 0.13 -0.07 -0.75 0.00 0.00 0.00 0.00 179.25 178.56 1p84 h ALA 282 N 1.70 0.74 -0.02 0.00 0.00 -1.38 -3.14 119.26 117.15 1p84 h ALA 282 Ca 0.26 -0.66 -0.08 0.00 0.00 0.00 0.00 54.91 54.42 1p84 h ALA 282 Cb 0.44 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1p84 h ALA 282 CO -0.07 0.89 -0.38 0.37 0.00 0.00 0.00 179.25 180.06 1p84 h GLN 283 N 0.05 0.04 -0.70 0.00 5.75 -0.97 0.15 115.11 119.41 1p84 h GLN 283 Ca -0.02 -0.01 0.08 0.00 -0.15 0.00 0.00 58.65 58.55 1p84 h GLN 283 Cb 1.32 -0.00 -0.06 0.00 1.07 0.00 0.00 27.48 29.81 1p84 h GLN 283 CO 0.10 0.42 0.38 0.82 -2.65 0.00 0.00 178.83 177.89 1p84 h ILE 284 N 0.03 0.91 0.00 2.39 2.04 -1.41 -2.28 117.51 119.19 1p84 h ILE 284 Ca 0.00 -0.23 -0.16 0.00 1.00 0.00 0.00 64.86 65.48 1p84 h ILE 284 Cb 0.69 0.19 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 1p84 h ILE 284 CO 0.05 0.12 -1.48 0.49 0.00 0.00 0.00 178.15 177.33 1p84 n PHE 285 N -4.81 0.86 -1.44 1.37 3.72 -1.13 -4.79 117.46 111.24 1p84 n PHE 285 Ca 0.10 0.28 0.00 0.00 -0.05 0.00 0.00 57.45 57.78 1p84 n PHE 285 Cb 0.23 -1.04 0.00 0.00 -0.94 0.00 0.00 39.48 37.73 1p84 n PHE 285 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1p84 n GLY 286 N 1.39 1.68 3.26 1.37 0.00 0.50 -4.82 105.19 108.57 1p84 n GLY 286 Ca -0.10 -0.33 -0.17 0.00 0.00 0.00 0.00 46.02 45.42 1p84 n GLY 286 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1p84 s SER 287 N -4.00 2.03 -0.01 1.61 1.04 -1.26 -1.02 113.70 112.10 1p84 s SER 287 Ca 0.00 -0.90 -0.09 0.00 0.48 0.00 0.00 55.95 55.44 1p84 s SER 287 Cb 0.00 -0.06 0.01 0.00 0.10 0.00 0.00 66.02 66.07 1p84 s SER 287 CO 0.00 -0.20 0.19 -0.47 0.98 0.00 0.00 173.24 173.74 1p84 s TYR 288 N -2.59 -0.03 -0.26 5.02 6.14 -0.05 -4.98 117.35 120.60 1p84 s TYR 288 Ca 0.13 0.01 -0.04 0.00 0.64 0.00 0.00 57.07 57.81 1p84 s TYR 288 Cb -0.02 -0.00 0.09 0.00 0.42 0.00 0.00 41.96 42.45 1p84 s TYR 288 CO 0.03 -0.31 0.13 1.21 0.64 0.00 0.00 175.55 177.25 1p84 s ASN 289 N -1.30 3.17 0.34 4.32 3.04 -1.26 -2.11 114.94 121.14 1p84 s ASN 289 Ca -0.14 -1.11 0.14 0.00 0.04 0.00 0.00 52.86 51.80 1p84 s ASN 289 Cb -0.07 -0.28 0.78 0.00 -1.54 0.00 0.00 41.25 40.15 1p84 s ASN 289 CO 0.02 -0.42 1.35 0.00 -3.04 0.00 0.00 177.10 175.01 1p84 h ALA 290 N 8.40 1.19 0.00 1.71 0.00 -1.51 -1.69 119.26 127.36 1p84 h ALA 290 Ca -0.19 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 1p84 h ALA 290 Cb 1.04 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1p84 h ALA 290 CO 0.40 -0.19 -1.58 1.19 0.00 0.00 0.00 179.25 179.07 1p84 n PHE 291 N -2.10 0.55 -2.90 0.00 3.01 -1.26 -4.81 117.46 109.94 1p84 n PHE 291 Ca -0.01 0.17 -0.43 0.00 1.01 0.00 0.00 57.45 58.19 1p84 n PHE 291 Cb 0.31 -0.84 -0.05 0.00 -0.01 0.00 0.00 39.48 38.89 1p84 n PHE 291 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1p84 s GLU 292 N -3.22 3.37 0.32 -1.08 0.41 -0.64 -4.96 118.70 112.91 1p84 s GLU 292 Ca -0.05 -0.18 0.07 0.00 -0.41 0.00 0.00 54.97 54.40 1p84 s GLU 292 Cb 0.10 -4.00 0.90 0.00 -1.78 0.00 0.00 34.13 29.36 1p84 s GLU 292 CO 0.84 -1.30 1.52 -2.30 -0.49 0.00 0.00 175.26 173.53 1p84 n PRO 293 N 7.08 -0.07 0.10 0.39 -0.02 -1.26 -0.24 135.00 140.98 1p84 n PRO 293 Ca 0.02 1.42 -0.01 0.00 -2.02 0.00 0.00 63.50 62.92 1p84 n PRO 293 Cb 0.48 -2.34 0.28 0.00 -0.02 0.00 0.00 33.50 31.90 1p84 n PRO 293 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1p84 h ALA 294 N 1.94 1.24 -0.53 3.55 0.00 -1.94 -2.83 119.26 120.69 1p84 h ALA 294 Ca 0.66 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 55.17 1p84 h ALA 294 Cb 1.49 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 1p84 h ALA 294 CO -0.87 0.51 0.13 1.03 0.00 0.00 0.00 179.25 180.06 1p84 h SER 295 N 0.21 0.76 0.73 0.00 0.87 -0.89 -2.17 113.55 113.05 1p84 h SER 295 Ca 0.03 -0.13 -0.00 0.00 -1.23 0.00 0.00 61.79 60.45 1p84 h SER 295 Cb 0.67 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 62.43 1p84 h SER 295 CO 0.05 0.74 -0.01 0.03 -0.53 0.00 0.00 176.83 177.11 1p84 h ARG 296 N 0.78 0.00 -0.01 2.24 3.08 -1.43 -2.98 114.38 116.06 1p84 h ARG 296 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 1p84 h ARG 296 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 1p84 h ARG 296 CO -0.00 0.01 -0.42 1.28 -1.07 0.00 0.00 179.97 179.77 1p84 n LEU 297 N -3.11 1.00 -4.50 3.04 4.77 -0.82 -4.99 117.00 112.39 1p84 n LEU 297 Ca -0.00 -0.27 -0.35 0.00 -0.03 0.00 0.00 56.01 55.36 1p84 n LEU 297 Cb 0.24 -0.13 0.09 0.00 -2.33 0.00 0.00 43.42 41.30 1p84 n LEU 297 CO 0.25 0.20 0.19 0.00 -1.33 0.00 0.00 177.39 176.70 1p84 n GLN 298 N -0.88 0.15 -1.61 3.23 6.02 -1.13 -4.86 117.38 118.30 1p84 n GLN 298 Ca 0.09 0.10 -0.36 0.00 -0.01 0.00 0.00 57.00 56.82 1p84 n GLN 298 Cb 0.36 -1.98 -0.03 0.00 1.02 0.00 0.00 30.24 29.61 1p84 n GLN 298 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1p84 n GLY 299 N 1.37 4.59 3.15 1.08 0.00 -1.26 -4.84 105.19 109.28 1p84 n GLY 299 Ca 0.10 -1.76 -0.33 0.00 0.00 0.00 0.00 46.02 44.03 1p84 n GLY 299 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1p84 s ILE 300 N 0.16 2.20 0.33 -0.61 1.01 -1.26 -5.02 121.20 118.00 1p84 s ILE 300 Ca 0.62 -0.90 0.02 0.00 0.00 0.00 0.00 60.65 60.39 1p84 s ILE 300 Cb 0.21 -1.92 0.28 0.00 0.01 0.00 0.00 42.46 41.04 1p84 s ILE 300 CO -0.09 0.53 1.94 0.11 0.00 0.00 0.00 174.94 177.43 1p84 h LYS 301 N 7.83 0.90 -0.90 2.79 1.57 -1.89 -2.30 116.57 124.58 1p84 h LYS 301 Ca -0.43 -0.05 0.25 0.00 -1.87 0.00 0.00 60.65 58.55 1p84 h LYS 301 Cb 1.15 -0.20 -0.04 0.00 0.08 0.00 0.00 32.23 33.22 1p84 h LYS 301 CO 0.62 0.60 0.63 1.25 -0.57 0.00 0.00 179.45 181.98 1p84 h LEU 302 N 0.93 0.07 -2.00 2.94 5.85 -1.96 -0.53 115.31 120.62 1p84 h LEU 302 Ca 0.34 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 59.06 1p84 h LEU 302 Cb 0.17 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.19 1p84 h LEU 302 CO -0.12 0.03 -0.07 -0.07 -0.34 0.00 0.00 178.44 177.87 1p84 h LEU 303 N 0.07 0.00 -0.67 2.25 3.38 -1.79 -1.76 115.31 116.79 1p84 h LEU 303 Ca 0.43 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.28 1p84 h LEU 303 Cb 1.62 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.35 1p84 h LEU 303 CO -0.04 0.07 -0.30 0.44 0.09 0.00 0.00 178.44 178.70 1p84 h ASP 304 N 0.00 0.73 0.12 -0.43 3.45 -1.27 -2.83 116.42 116.20 1p84 h ASP 304 Ca -0.00 -0.29 -0.24 0.00 0.43 0.00 0.00 57.03 56.93 1p84 h ASP 304 Cb 0.33 -0.20 0.03 0.00 -0.56 0.00 0.00 39.33 38.92 1p84 h ASP 304 CO 0.01 0.99 -1.03 0.78 -1.57 0.00 0.00 179.24 178.42 1p84 h ASN 305 N 0.61 0.69 1.64 6.45 -0.26 -1.47 -3.37 115.58 119.86 1p84 h ASN 305 Ca 0.07 -0.87 -0.06 0.00 -0.56 0.00 0.00 56.30 54.89 1p84 h ASN 305 Cb 0.81 -0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 37.84 1p84 h ASN 305 CO 0.07 1.49 -0.37 0.16 -1.06 0.00 0.00 177.43 177.72 1p84 h ILE 306 N -0.01 0.45 0.00 2.81 -0.00 -1.49 -3.36 117.51 115.91 1p84 h ILE 306 Ca -0.16 -1.65 0.00 0.00 -0.00 0.00 0.00 64.86 63.05 1p84 h ILE 306 Cb 1.76 2.18 0.00 0.00 -0.00 0.00 0.00 36.82 40.76 1p84 h ILE 306 CO 0.20 0.26 0.00 1.56 -0.00 0.00 0.00 178.15 180.16 1p84 h GLN 307 N 0.00 0.00 0.20 0.16 4.20 -1.66 -0.98 115.11 117.03 1p84 h GLN 307 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1p84 h GLN 307 Cb 1.22 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.98 1p84 h GLN 307 CO 0.03 0.00 -0.21 1.49 -0.67 0.00 0.00 178.83 179.47 1p84 h GLU 308 N 0.00 -0.43 -0.46 1.46 4.81 -1.73 -3.12 114.58 115.11 1p84 h GLU 308 Ca 0.00 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1p84 h GLU 308 Cb 0.97 0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.45 1p84 h GLU 308 CO 0.00 -0.29 0.00 0.66 -0.73 0.00 0.00 179.01 178.65 1p84 n TYR 309 N -5.34 0.69 -3.31 0.92 4.02 -1.26 -5.00 117.16 107.89 1p84 n TYR 309 Ca -0.08 -0.53 -0.13 0.00 -0.01 0.00 0.00 57.90 57.15 1p84 n TYR 309 Cb 0.25 -0.05 0.01 0.00 -0.02 0.00 0.00 39.34 39.52 1p84 n TYR 309 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 1p84 n GLN 310 N 0.78 -1.60 0.11 -0.72 -0.06 -1.00 -4.90 117.38 109.99 1p84 n GLN 310 Ca 0.16 1.35 0.12 0.00 -2.00 0.00 0.00 57.00 56.63 1p84 n GLN 310 Cb 0.54 -4.28 0.46 0.00 -4.06 0.00 0.00 30.24 22.90 1p84 n GLN 310 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 1p84 n LEU 311 N -1.68 0.60 -3.56 1.69 4.32 -0.41 -4.74 117.00 113.22 1p84 n LEU 311 Ca -0.09 0.63 -0.09 0.00 -0.02 0.00 0.00 56.01 56.44 1p84 n LEU 311 Cb 0.58 -0.53 -0.04 0.00 -1.62 0.00 0.00 43.42 41.80 1p84 n LEU 311 CO 0.56 -0.47 0.79 0.00 -1.22 0.00 0.00 177.39 177.05 1p84 h ASP 313 N 2.31 0.00 -5.04 0.00 3.45 -1.58 -3.43 116.42 112.14 1p84 h ASP 313 Ca -0.18 0.00 0.23 0.00 0.43 0.00 0.00 57.03 57.51 1p84 h ASP 313 Cb 1.19 0.00 -0.14 0.00 -0.56 0.00 0.00 39.33 39.82 1p84 h ASP 313 CO 0.30 0.87 0.68 0.54 -1.57 0.00 0.00 179.24 180.06 1p84 s ASN 314 N -6.71 -0.17 0.20 6.45 4.22 -1.17 -1.44 114.94 116.33 1p84 s ASN 314 Ca 0.01 -0.13 -0.22 0.00 -2.14 0.00 0.00 52.86 50.38 1p84 s ASN 314 Cb 0.10 0.27 0.05 0.00 1.28 0.00 0.00 41.25 42.95 1p84 s ASN 314 CO 0.80 -0.48 0.62 0.72 -2.04 0.00 0.00 177.10 176.73 1p84 s PHE 315 N -2.75 -0.37 -0.29 1.54 -0.12 -0.90 -1.89 117.98 113.21 1p84 s PHE 315 Ca 0.11 0.06 -0.14 0.00 -0.05 0.00 0.00 56.93 56.91 1p84 s PHE 315 Cb 0.01 0.58 0.12 0.00 -0.63 0.00 0.00 43.02 43.10 1p84 s PHE 315 CO -0.04 -0.98 0.77 0.54 -0.05 0.00 0.00 175.22 175.46 1p84 s ASN 316 N -2.82 -0.89 0.61 1.98 4.22 -0.39 -0.87 114.94 116.79 1p84 s ASN 316 Ca 0.05 1.32 -0.06 0.00 -2.14 0.00 0.00 52.86 52.02 1p84 s ASN 316 Cb -0.03 1.69 0.02 0.00 1.28 0.00 0.00 41.25 44.21 1p84 s ASN 316 CO -0.05 -0.20 0.93 -1.00 -2.04 0.00 0.00 177.10 174.74 1p84 s HIS 317 N 2.11 3.21 -0.06 1.54 3.76 -0.19 -1.46 115.29 124.19 1p84 s HIS 317 Ca -0.08 0.64 -0.29 0.00 -0.15 0.00 0.00 55.06 55.18 1p84 s HIS 317 Cb -0.07 -2.82 0.10 0.00 1.11 0.00 0.00 32.58 30.89 1p84 s HIS 317 CO -0.18 -0.93 0.83 -0.59 -0.85 0.00 0.00 174.74 173.01 1p84 s PHE 318 N -3.05 -0.48 -0.54 1.40 -0.12 -0.24 -4.90 117.98 110.04 1p84 s PHE 318 Ca 0.55 0.71 0.04 0.00 -0.05 0.00 0.00 56.93 58.17 1p84 s PHE 318 Cb -0.11 0.46 0.16 0.00 -0.63 0.00 0.00 43.02 42.90 1p84 s PHE 318 CO 0.46 -0.52 0.37 0.45 -0.05 0.00 0.00 175.22 175.92 1p84 s SER 319 N -1.53 3.53 0.09 1.98 0.15 -1.26 -2.13 113.70 114.54 1p84 s SER 319 Ca -0.04 -3.26 -0.30 0.00 0.70 0.00 0.00 55.95 53.06 1p84 s SER 319 Cb -0.00 -1.14 -0.06 0.00 -1.71 0.00 0.00 66.02 63.11 1p84 s SER 319 CO 0.01 -0.17 1.16 -0.76 1.20 0.00 0.00 173.24 174.69 1p84 s LEU 320 N -0.48 4.40 0.00 3.45 1.02 -0.19 -4.89 118.68 121.99 1p84 s LEU 320 Ca 0.25 2.02 0.06 0.00 0.02 0.00 0.00 54.13 56.48 1p84 s LEU 320 Cb -0.09 -3.59 -0.02 0.00 0.02 0.00 0.00 46.19 42.52 1p84 s LEU 320 CO -0.12 -0.39 -0.18 -0.44 0.02 0.00 0.00 176.35 175.24 1p84 s SER 321 N 0.71 2.15 0.30 2.29 0.01 -1.26 -1.09 113.70 116.81 1p84 s SER 321 Ca 0.56 -0.38 0.05 0.00 1.31 0.00 0.00 55.95 57.49 1p84 s SER 321 Cb -0.29 -0.22 -0.02 0.00 0.21 0.00 0.00 66.02 65.70 1p84 s SER 321 CO 0.31 0.19 0.19 -1.22 0.41 0.00 0.00 173.24 173.12 1p84 n TYR 322 N 2.40 -0.37 0.21 2.43 4.02 -0.09 -4.73 117.16 121.02 1p84 n TYR 322 Ca -0.16 -2.27 -0.15 0.00 -0.01 0.00 0.00 57.90 55.31 1p84 n TYR 322 Cb 0.54 0.15 -0.08 0.00 -0.02 0.00 0.00 39.34 39.93 1p84 n TYR 322 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 1p84 h LYS 323 N 0.00 -0.46 0.00 -0.72 3.64 -1.95 0.15 116.57 117.24 1p84 h LYS 323 Ca -0.22 0.03 -0.17 0.00 -1.27 0.00 0.00 60.65 59.02 1p84 h LYS 323 Cb 1.00 0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.89 1p84 h LYS 323 CO 0.33 -0.30 -1.57 -0.25 -2.27 0.00 0.00 179.45 175.38 1p84 n ASP 324 N -5.30 0.68 -0.95 4.20 8.00 -1.26 -4.49 116.55 117.43 1p84 n ASP 324 Ca -0.10 0.30 0.00 0.00 0.71 0.00 0.00 54.79 55.69 1p84 n ASP 324 Cb 0.21 0.44 0.00 0.00 -0.02 0.00 0.00 41.12 41.75 1p84 n ASP 324 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1p84 n SER 325 N -2.81 0.00 -2.73 -2.24 2.88 -1.25 -4.80 113.62 102.66 1p84 n SER 325 Ca -0.12 -0.95 -0.08 0.00 -1.33 0.00 0.00 58.87 56.39 1p84 n SER 325 Cb 0.85 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 64.33 1p84 n SER 325 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1p84 n GLY 326 N 0.00 1.00 2.79 0.46 0.00 -1.26 -0.92 105.19 107.28 1p84 n GLY 326 Ca 0.00 -1.24 -0.21 0.00 0.00 0.00 0.00 46.02 44.57 1p84 n GLY 326 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p84 s LEU 327 N 0.00 0.81 -0.20 0.99 1.43 -0.25 -0.29 118.68 121.17 1p84 s LEU 327 Ca 0.15 -0.06 -0.01 0.00 -1.03 0.00 0.00 54.13 53.18 1p84 s LEU 327 Cb -0.05 -0.36 0.01 0.00 0.03 0.00 0.00 46.19 45.82 1p84 s LEU 327 CO 0.11 -0.15 -0.12 0.86 0.23 0.00 0.00 176.35 177.28 1p84 s TRP 328 N 1.58 2.87 -0.08 0.29 -0.00 -0.83 -1.02 118.94 121.74 1p84 s TRP 328 Ca -0.01 -1.28 0.00 0.00 -0.00 0.00 0.00 56.10 54.81 1p84 s TRP 328 Cb -0.13 -2.01 0.00 0.00 -0.00 0.00 0.00 33.47 31.33 1p84 s TRP 328 CO -0.03 -0.67 0.00 0.41 -0.00 0.00 0.00 176.95 176.66 1p84 n GLY 329 N 4.68 -0.78 3.44 5.86 0.00 -0.90 -0.71 105.19 116.78 1p84 n GLY 329 Ca -0.20 -0.30 -0.11 0.00 0.00 0.00 0.00 46.02 45.41 1p84 n GLY 329 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1p84 s PHE 330 N -3.87 0.72 0.07 1.61 -0.00 -0.34 -1.08 117.98 115.10 1p84 s PHE 330 Ca 0.00 -1.02 0.04 0.00 -0.00 0.00 0.00 56.93 55.95 1p84 s PHE 330 Cb 0.00 -0.11 -0.03 0.00 -0.00 0.00 0.00 43.02 42.88 1p84 s PHE 330 CO 0.00 -0.88 -0.10 -1.12 -0.00 0.00 0.00 175.22 173.11 1p84 s SER 331 N -3.09 1.31 0.07 1.98 0.01 -0.54 -1.31 113.70 112.14 1p84 s SER 331 Ca 0.29 -0.67 -0.21 0.00 1.31 0.00 0.00 55.95 56.67 1p84 s SER 331 Cb 0.02 0.00 0.05 0.00 0.21 0.00 0.00 66.02 66.30 1p84 s SER 331 CO 0.11 -0.19 0.49 0.28 0.41 0.00 0.00 173.24 174.34 1p84 s THR 332 N -1.77 0.04 -0.01 1.44 -1.32 -0.13 -1.26 115.64 112.63 1p84 s THR 332 Ca -0.02 -0.31 0.03 0.00 -1.21 0.00 0.00 61.69 60.18 1p84 s THR 332 Cb -0.07 -1.01 -0.01 0.00 -1.51 0.00 0.00 72.50 69.90 1p84 s THR 332 CO 0.01 -0.17 -0.11 0.00 -2.21 0.00 0.00 174.62 172.14 1p84 s ALA 333 N -2.81 0.89 0.03 11.08 0.00 -0.79 -1.59 121.76 128.57 1p84 s ALA 333 Ca -0.03 -0.45 -0.15 0.00 0.00 0.00 0.00 51.96 51.33 1p84 s ALA 333 Cb -0.00 -0.24 0.02 0.00 0.00 0.00 0.00 23.12 22.90 1p84 s ALA 333 CO -0.05 0.21 0.32 -0.08 0.00 0.00 0.00 175.76 176.16 1p84 s THR 334 N -0.20 0.07 -0.62 0.00 -1.32 -0.23 -1.41 115.64 111.93 1p84 s THR 334 Ca 0.03 -0.60 0.07 0.00 -1.21 0.00 0.00 61.69 59.98 1p84 s THR 334 Cb -0.05 -0.86 -0.01 0.00 -1.51 0.00 0.00 72.50 70.07 1p84 s THR 334 CO -0.00 -0.33 0.50 0.54 -2.21 0.00 0.00 174.62 173.11 1p84 n ARG 335 N 0.74 2.60 -2.76 7.08 1.74 -1.26 -1.05 116.66 123.76 1p84 n ARG 335 Ca -0.19 -0.44 -0.44 0.00 -0.77 0.00 0.00 57.85 56.01 1p84 n ARG 335 Cb 0.59 -0.97 0.00 0.00 -1.02 0.00 0.00 32.46 31.05 1p84 n ARG 335 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1p84 n ASN 336 N -0.43 5.19 0.00 0.55 4.05 -1.26 -4.81 115.26 118.55 1p84 n ASN 336 Ca 0.03 -3.02 0.10 0.00 0.45 0.00 0.00 54.58 52.13 1p84 n ASN 336 Cb 0.15 -1.54 0.51 0.00 1.23 0.00 0.00 39.78 40.13 1p84 n ASN 336 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 177.26 175.54 1p84 n VAL 337 N 4.17 0.29 0.82 3.44 0.24 -1.26 -2.84 118.33 123.19 1p84 n VAL 337 Ca 0.38 0.07 0.09 0.00 -2.04 0.00 0.00 64.34 62.84 1p84 n VAL 337 Cb 0.41 -0.76 0.03 0.00 -1.47 0.00 0.00 33.84 32.05 1p84 n VAL 337 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1p84 n THR 338 N -1.19 0.00 -1.52 3.34 -2.24 -1.26 -4.39 114.28 107.02 1p84 n THR 338 Ca 0.11 -0.38 0.06 0.00 -2.27 0.00 0.00 64.05 61.57 1p84 n THR 338 Cb 0.12 1.29 0.11 0.00 -2.10 0.00 0.00 70.33 69.75 1p84 n THR 338 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1p84 n MET 339 N 0.38 0.91 0.02 -0.78 2.00 -1.13 -4.81 117.12 113.71 1p84 n MET 339 Ca 0.09 -2.27 0.08 0.00 0.00 0.00 0.00 57.70 55.60 1p84 n MET 339 Cb 0.43 -1.15 0.50 0.00 0.00 0.00 0.00 33.22 33.01 1p84 n MET 339 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 175.97 176.79 1p84 h ILE 340 N 2.50 0.99 -0.09 2.02 2.04 -1.78 -1.34 117.51 121.85 1p84 h ILE 340 Ca -0.02 -0.13 -0.06 0.00 1.00 0.00 0.00 64.86 65.65 1p84 h ILE 340 Cb 1.18 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 1p84 h ILE 340 CO 0.01 0.07 -0.23 -2.24 0.00 0.00 0.00 178.15 175.76 1p84 h ASP 341 N 0.37 0.15 -0.04 1.72 2.03 -1.88 -1.75 116.42 117.03 1p84 h ASP 341 Ca 0.18 -0.04 -0.20 0.00 -0.73 0.00 0.00 57.03 56.24 1p84 h ASP 341 Cb 0.23 -0.04 0.00 0.00 -0.83 0.00 0.00 39.33 38.69 1p84 h ASP 341 CO -0.04 0.39 -0.70 0.44 -1.03 0.00 0.00 179.24 178.30 1p84 h ASP 342 N 0.14 0.79 0.42 4.15 3.45 -1.63 -0.01 116.42 123.73 1p84 h ASP 342 Ca 0.02 -0.49 -0.01 0.00 0.43 0.00 0.00 57.03 56.99 1p84 h ASP 342 Cb 0.49 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 39.02 1p84 h ASP 342 CO 0.03 1.26 -0.31 0.25 -1.57 0.00 0.00 179.24 178.90 1p84 h LEU 343 N 0.48 -0.81 -1.00 1.55 6.46 -1.14 0.65 115.31 121.51 1p84 h LEU 343 Ca -0.03 0.06 -0.03 0.00 -0.12 0.00 0.00 57.88 57.76 1p84 h LEU 343 Cb 1.30 0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 41.45 1p84 h LEU 343 CO 0.14 -0.47 0.30 0.40 -0.62 0.00 0.00 178.44 178.19 1p84 h ILE 344 N -0.72 1.23 -0.17 4.05 1.08 -1.34 -2.26 117.51 119.38 1p84 h ILE 344 Ca -0.04 -0.71 -0.03 0.00 -0.39 0.00 0.00 64.86 63.69 1p84 h ILE 344 Cb 0.62 0.38 -0.01 0.00 -3.07 0.00 0.00 36.82 34.74 1p84 h ILE 344 CO 0.01 0.29 -0.00 -0.74 -0.69 0.00 0.00 178.15 177.01 1p84 h HIS 345 N 1.00 0.33 -0.13 1.37 2.76 -0.64 -1.60 115.15 118.25 1p84 h HIS 345 Ca 0.24 -0.06 -0.01 0.00 -2.20 0.00 0.00 60.37 58.33 1p84 h HIS 345 Cb 0.16 -0.09 -0.01 0.00 1.55 0.00 0.00 27.41 29.03 1p84 h HIS 345 CO 0.01 0.52 0.03 0.74 -1.30 0.00 0.00 177.93 177.93 1p84 h PHE 346 N 0.05 0.22 -0.34 5.26 0.04 -0.81 -1.52 116.94 119.84 1p84 h PHE 346 Ca 0.05 -0.03 0.05 0.00 2.80 0.00 0.00 57.97 60.84 1p84 h PHE 346 Cb 0.39 -0.06 -0.05 0.00 2.20 0.00 0.00 35.95 38.43 1p84 h PHE 346 CO 0.04 0.38 0.06 1.15 -0.60 0.00 0.00 178.31 179.34 1p84 h THR 347 N 0.00 0.82 0.00 -1.55 2.02 -1.42 -0.97 112.91 111.81 1p84 h THR 347 Ca 0.04 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.15 1p84 h THR 347 Cb 0.27 0.63 -0.00 0.00 -1.74 0.00 0.00 68.15 67.31 1p84 h THR 347 CO 0.00 0.03 -0.05 -0.07 0.37 0.00 0.00 175.52 175.81 1p84 h LEU 348 N 0.18 0.00 -0.05 2.58 4.07 -1.24 -2.15 115.31 118.70 1p84 h LEU 348 Ca 0.16 0.00 -0.26 0.00 0.08 0.00 0.00 57.88 57.87 1p84 h LEU 348 Cb 0.19 0.00 0.02 0.00 1.08 0.00 0.00 40.66 41.94 1p84 h LEU 348 CO -0.22 0.05 -1.03 0.11 -1.08 0.00 0.00 178.44 176.27 1p84 h LYS 349 N 0.00 0.59 -0.37 1.13 1.79 -0.19 -2.85 116.57 116.68 1p84 h LYS 349 Ca -0.00 -0.65 -0.01 0.00 -2.18 0.00 0.00 60.65 57.81 1p84 h LYS 349 Cb 0.52 0.19 -0.02 0.00 -1.58 0.00 0.00 32.23 31.34 1p84 h LYS 349 CO 0.01 1.26 0.20 1.96 -1.08 0.00 0.00 179.45 181.79 1p84 h GLN 350 N 0.33 0.52 0.00 3.15 1.08 -0.73 -2.27 115.11 117.18 1p84 h GLN 350 Ca -0.12 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.02 1p84 h GLN 350 Cb 1.68 -0.10 -0.00 0.00 -0.05 0.00 0.00 27.48 29.01 1p84 h GLN 350 CO 0.19 0.43 -0.00 -1.49 -0.95 0.00 0.00 178.83 177.01 1p84 h TRP 351 N 0.47 0.00 -0.71 2.96 4.06 -1.42 -0.79 115.95 120.51 1p84 h TRP 351 Ca 0.13 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 61.06 1p84 h TRP 351 Cb 0.06 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.19 1p84 h TRP 351 CO -0.03 0.00 0.37 -0.91 -3.56 0.00 0.00 178.44 174.32 1p84 h ASN 352 N 0.00 0.89 -0.84 -3.49 -0.26 -1.16 -2.74 115.58 107.99 1p84 h ASN 352 Ca -0.00 -0.08 0.13 0.00 -0.56 0.00 0.00 56.30 55.79 1p84 h ASN 352 Cb 0.01 -0.23 -0.06 0.00 -1.06 0.00 0.00 38.32 36.98 1p84 h ASN 352 CO 0.00 0.74 0.55 0.03 -1.06 0.00 0.00 177.43 177.68 1p84 h ARG 353 N 1.00 0.63 -0.06 0.81 3.08 -1.08 -2.04 114.38 116.72 1p84 h ARG 353 Ca 0.25 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.28 1p84 h ARG 353 Cb 0.06 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 29.96 1p84 h ARG 353 CO -0.04 0.42 0.30 -0.07 -1.07 0.00 0.00 179.97 179.51 1p84 h LEU 354 N 0.65 0.00 0.00 3.04 3.38 -1.58 0.29 115.31 121.09 1p84 h LEU 354 Ca 0.41 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 58.06 1p84 h LEU 354 Cb 0.67 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.37 1p84 h LEU 354 CO -0.17 0.00 -1.96 0.41 0.09 0.00 0.00 178.44 176.81 1p84 n THR 355 N -3.05 1.54 0.00 0.22 -1.04 -0.77 -3.56 114.28 107.62 1p84 n THR 355 Ca -0.01 -0.81 0.00 0.00 -2.04 0.00 0.00 64.05 61.19 1p84 n THR 355 Cb 0.37 -0.85 0.00 0.00 -1.82 0.00 0.00 70.33 68.03 1p84 n THR 355 CO 0.00 0.00 0.00 2.30 -0.64 0.00 0.00 175.07 176.73 1p84 n ILE 356 N -2.95 0.00 -2.06 12.58 -5.35 -0.01 -4.85 119.36 116.72 1p84 n ILE 356 Ca -0.23 0.00 0.02 0.00 -0.27 0.00 0.00 62.75 62.27 1p84 n ILE 356 Cb 1.09 -0.90 0.03 0.00 -1.74 0.00 0.00 39.64 38.12 1p84 n ILE 356 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1p84 n SER 357 N -1.91 0.61 -4.75 7.28 3.41 0.80 -5.08 113.62 113.98 1p84 n SER 357 Ca 0.00 -2.19 -0.41 0.00 -0.26 0.00 0.00 58.87 56.01 1p84 n SER 357 Cb 0.46 -0.27 -0.02 0.00 -0.26 0.00 0.00 64.21 64.12 1p84 n SER 357 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1p84 s VAL 358 N -0.41 2.63 0.39 -3.33 0.11 -1.00 -4.97 120.40 113.83 1p84 s VAL 358 Ca 0.15 0.57 -0.01 0.00 -2.93 0.00 0.00 61.98 59.76 1p84 s VAL 358 Cb 0.17 -3.36 -0.03 0.00 -1.53 0.00 0.00 36.38 31.63 1p84 s VAL 358 CO -0.05 0.11 0.63 0.42 -3.33 0.00 0.00 175.10 172.87 1p84 s THR 359 N -0.39 4.93 0.17 5.04 -4.23 -1.26 -5.02 115.64 114.88 1p84 s THR 359 Ca 0.56 -0.29 -0.14 0.00 -1.18 0.00 0.00 61.69 60.64 1p84 s THR 359 Cb -0.42 -3.82 0.05 0.00 1.34 0.00 0.00 72.50 69.65 1p84 s THR 359 CO 0.47 -0.62 1.82 0.44 -0.54 0.00 0.00 174.62 176.20 1p84 h ASP 360 N 0.57 0.52 0.40 3.99 5.19 -2.00 -2.10 116.42 122.98 1p84 h ASP 360 Ca -0.49 -0.01 -0.03 0.00 -0.62 0.00 0.00 57.03 55.89 1p84 h ASP 360 Cb 1.22 -0.12 -0.00 0.00 0.18 0.00 0.00 39.33 40.61 1p84 h ASP 360 CO 0.61 0.37 -0.15 0.00 -3.12 0.00 0.00 179.24 176.95 1p84 h THR 361 N 0.62 0.67 -0.13 0.35 1.03 -1.98 -0.04 112.91 113.43 1p84 h THR 361 Ca 0.19 -0.65 -0.14 0.00 -0.01 0.00 0.00 66.41 65.79 1p84 h THR 361 Cb -0.03 1.41 0.01 0.00 -1.07 0.00 0.00 68.15 68.46 1p84 h THR 361 CO -0.06 0.15 -0.48 -0.33 -0.01 0.00 0.00 175.52 174.79 1p84 h GLU 362 N 0.00 0.56 -0.41 0.00 5.08 -1.80 -0.32 114.58 117.69 1p84 h GLU 362 Ca -0.00 -0.42 -0.01 0.00 -1.00 0.00 0.00 59.36 57.93 1p84 h GLU 362 Cb 0.39 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 1p84 h GLU 362 CO 0.02 1.05 0.23 0.28 -1.00 0.00 0.00 179.01 179.58 1p84 h VAL 363 N 0.19 1.15 -0.40 3.13 2.07 -0.94 -2.16 116.25 119.29 1p84 h VAL 363 Ca -0.02 -0.38 -0.02 0.00 0.82 0.00 0.00 66.70 67.10 1p84 h VAL 363 Cb 1.11 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 1p84 h VAL 363 CO 0.10 0.16 0.19 -0.33 0.02 0.00 0.00 177.57 177.71 1p84 h GLU 364 N 0.53 0.58 -0.61 1.57 4.39 -0.98 -0.84 114.58 119.22 1p84 h GLU 364 Ca 0.15 -0.09 0.05 0.00 0.34 0.00 0.00 59.36 59.81 1p84 h GLU 364 Cb 0.05 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 28.56 1p84 h GLU 364 CO -0.02 0.51 0.41 -0.09 -1.16 0.00 0.00 179.01 178.65 1p84 h ARG 365 N 0.50 0.63 -0.02 2.33 2.43 -0.92 -2.28 114.38 117.05 1p84 h ARG 365 Ca 0.14 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 1p84 h ARG 365 Cb 0.12 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.53 1p84 h ARG 365 CO -0.02 0.42 -0.01 0.00 -1.51 0.00 0.00 179.97 178.85 1p84 h ALA 366 N 1.66 0.03 -0.45 2.80 0.00 -0.72 -2.75 119.26 119.83 1p84 h ALA 366 Ca 0.26 -0.21 0.09 0.00 0.00 0.00 0.00 54.91 55.05 1p84 h ALA 366 Cb 0.20 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 17.89 1p84 h ALA 366 CO -0.07 -0.26 -0.31 0.87 0.00 0.00 0.00 179.25 179.48 1p84 h LYS 367 N -0.34 -0.20 0.10 0.00 1.57 -0.60 0.32 116.57 117.41 1p84 h LYS 367 Ca 0.01 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.81 1p84 h LYS 367 Cb 0.42 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.74 1p84 h LYS 367 CO 0.00 -0.13 -0.20 0.77 -0.57 0.00 0.00 179.45 179.32 1p84 h SER 368 N -0.21 -0.55 0.20 0.86 0.02 -1.52 -2.02 113.55 110.32 1p84 h SER 368 Ca 0.20 0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 61.17 1p84 h SER 368 Cb 0.53 0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.27 1p84 h SER 368 CO -0.57 -0.28 -0.20 -0.07 -1.14 0.00 0.00 176.83 174.57 1p84 h LEU 369 N -0.37 0.01 -0.28 5.07 3.38 -1.08 -1.97 115.31 120.08 1p84 h LEU 369 Ca 0.03 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 1p84 h LEU 369 Cb 0.40 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1p84 h LEU 369 CO -0.11 0.22 -0.17 0.25 0.09 0.00 0.00 178.44 178.71 1p84 h LEU 370 N 0.01 0.63 -0.50 1.67 6.46 -0.01 -2.45 115.31 121.12 1p84 h LEU 370 Ca 0.00 -0.43 0.02 0.00 -0.12 0.00 0.00 57.88 57.35 1p84 h LEU 370 Cb 0.37 -0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 40.09 1p84 h LEU 370 CO 0.03 0.92 0.32 0.11 -0.62 0.00 0.00 178.44 179.19 1p84 h LYS 371 N 0.34 0.62 -0.81 1.25 1.57 -0.95 0.13 116.57 118.72 1p84 h LYS 371 Ca 0.06 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1p84 h LYS 371 Cb 0.70 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.83 1p84 h LYS 371 CO 0.05 0.41 0.52 1.25 -0.57 0.00 0.00 179.45 181.10 1p84 h LEU 372 N 0.64 0.95 0.14 2.94 5.85 -1.29 0.35 115.31 124.88 1p84 h LEU 372 Ca 0.20 -0.04 -0.31 0.00 0.84 0.00 0.00 57.88 58.57 1p84 h LEU 372 Cb -0.02 -0.24 0.03 0.00 0.37 0.00 0.00 40.66 40.80 1p84 h LEU 372 CO -0.07 0.71 -1.29 0.06 -0.34 0.00 0.00 178.44 177.50 1p84 h GLN 373 N 1.10 0.59 0.00 1.25 3.07 -1.11 -2.52 115.11 117.50 1p84 h GLN 373 Ca 0.29 -0.83 -0.04 0.00 0.09 0.00 0.00 58.65 58.16 1p84 h GLN 373 Cb -0.09 0.28 -0.01 0.00 0.08 0.00 0.00 27.48 27.74 1p84 h GLN 373 CO -0.06 1.38 -0.21 1.25 0.09 0.00 0.00 178.83 181.29 1p84 h LEU 374 N 0.24 0.00 0.36 0.06 5.85 -0.64 -2.55 115.31 118.62 1p84 h LEU 374 Ca -0.20 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.50 1p84 h LEU 374 Cb 1.97 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.00 1p84 h LEU 374 CO 0.24 0.21 -0.17 1.23 -0.34 0.00 0.00 178.44 179.61 1p84 h GLY 375 N 0.88 -0.51 1.02 3.75 0.00 -0.89 -2.54 103.07 104.79 1p84 h GLY 375 Ca -0.00 0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.52 1p84 h GLY 375 CO 0.03 -0.18 0.41 1.46 0.00 0.00 0.00 176.54 178.25 1p84 h GLN 376 N -0.85 0.00 0.00 4.80 4.20 -1.31 0.27 115.11 122.23 1p84 h GLN 376 Ca -0.05 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.56 1p84 h GLN 376 Cb 0.37 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.14 1p84 h GLN 376 CO 0.08 0.00 -0.88 1.28 -0.67 0.00 0.00 178.83 178.64 1p84 n LEU 377 N -2.29 1.84 0.20 1.46 4.77 -0.98 -4.22 117.00 117.78 1p84 n LEU 377 Ca -0.01 0.54 0.14 0.00 -0.03 0.00 0.00 56.01 56.65 1p84 n LEU 377 Cb 0.43 -0.90 0.63 0.00 -2.33 0.00 0.00 43.42 41.25 1p84 n LEU 377 CO 0.07 -0.15 0.92 1.88 -1.33 0.00 0.00 177.39 178.78 1p84 h TYR 378 N -1.00 0.00 -2.19 -1.77 0.99 -0.87 -3.37 116.97 108.76 1p84 h TYR 378 Ca -0.15 0.00 -0.57 0.00 2.00 0.00 0.00 58.73 60.01 1p84 h TYR 378 Cb 0.86 0.00 -0.38 0.00 1.00 0.00 0.00 36.73 38.21 1p84 h TYR 378 CO -0.10 0.00 -1.01 -0.85 -0.00 0.00 0.00 178.16 176.20 1p84 n GLU 379 N -2.56 0.36 -3.84 4.88 0.28 -0.00 -4.96 120.64 114.81 1p84 n GLU 379 Ca 0.01 -3.15 -0.25 0.00 -0.16 0.00 0.00 57.16 53.61 1p84 n GLU 379 Cb 0.21 -1.52 -0.02 0.00 1.43 0.00 0.00 31.44 31.55 1p84 n GLU 379 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1p84 s SER 380 N -0.34 4.69 -0.29 -1.84 0.15 -1.26 -4.69 113.70 110.12 1p84 s SER 380 Ca 0.34 -1.14 -0.01 0.00 0.70 0.00 0.00 55.95 55.84 1p84 s SER 380 Cb 0.08 0.16 0.22 0.00 -1.71 0.00 0.00 66.02 64.77 1p84 s SER 380 CO -0.17 -0.98 1.93 0.61 1.20 0.00 0.00 173.24 175.83 1p84 n GLY 381 N -1.69 3.90 2.63 9.45 0.00 -1.26 -4.76 105.19 113.46 1p84 n GLY 381 Ca -0.00 -0.96 -0.25 0.00 0.00 0.00 0.00 46.02 44.81 1p84 n GLY 381 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1p84 s ASN 382 N 0.23 2.34 0.53 1.61 3.84 -1.26 -5.03 114.94 117.19 1p84 s ASN 382 Ca 0.29 -0.65 0.18 0.00 0.21 0.00 0.00 52.86 52.89 1p84 s ASN 382 Cb 0.23 -0.13 1.32 0.00 -0.55 0.00 0.00 41.25 42.12 1p84 s ASN 382 CO 0.00 -0.36 2.12 -0.65 -2.79 0.00 0.00 177.10 175.43 1p84 h PRO 383 N 8.39 0.00 -0.43 0.43 0.11 -1.94 -2.81 132.00 135.75 1p84 h PRO 383 Ca -0.16 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.91 1p84 h PRO 383 Cb 1.13 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 1p84 h PRO 383 CO 0.31 0.00 0.12 -0.39 -0.21 0.00 0.00 178.00 177.83 1p84 h VAL 384 N 0.00 1.18 -0.32 3.15 -1.51 -1.96 0.37 116.25 117.17 1p84 h VAL 384 Ca 0.05 -0.64 -0.14 0.00 -1.23 0.00 0.00 66.70 64.74 1p84 h VAL 384 Cb 0.20 0.74 -0.00 0.00 -2.13 0.00 0.00 31.29 30.09 1p84 h VAL 384 CO -0.00 0.24 -0.36 0.78 -1.23 0.00 0.00 177.57 177.00 1p84 h ASN 385 N 0.62 0.86 -0.93 4.19 -0.26 -1.92 -2.69 115.58 115.45 1p84 h ASN 385 Ca 0.14 -0.48 -0.01 0.00 -0.56 0.00 0.00 56.30 55.39 1p84 h ASN 385 Cb 0.21 -0.24 -0.04 0.00 -1.06 0.00 0.00 38.32 37.18 1p84 h ASN 385 CO -0.01 1.17 0.54 0.44 -1.06 0.00 0.00 177.43 178.51 1p84 h ASP 386 N 0.57 1.13 0.45 5.81 5.19 -1.41 -1.74 116.42 126.43 1p84 h ASP 386 Ca 0.05 -0.08 -0.02 0.00 -0.62 0.00 0.00 57.03 56.35 1p84 h ASP 386 Cb 0.94 -0.29 0.00 0.00 0.18 0.00 0.00 39.33 40.17 1p84 h ASP 386 CO 0.09 0.88 -0.23 0.00 -3.12 0.00 0.00 179.24 176.86 1p84 h ALA 387 N 1.30 -0.62 -0.20 3.45 0.00 -0.83 0.27 119.26 122.64 1p84 h ALA 387 Ca 0.33 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.15 1p84 h ALA 387 Cb -0.02 0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 1p84 h ALA 387 CO -0.06 -0.85 -0.09 -0.91 0.00 0.00 0.00 179.25 177.34 1p84 h ASN 388 N -0.62 -0.30 -0.67 0.00 4.21 -1.31 0.51 115.58 117.39 1p84 h ASN 388 Ca -0.06 0.08 0.00 0.00 1.21 0.00 0.00 56.30 57.53 1p84 h ASN 388 Cb 0.49 0.17 -0.03 0.00 -1.12 0.00 0.00 38.32 37.83 1p84 h ASN 388 CO 0.09 -0.12 0.43 -0.07 -1.29 0.00 0.00 177.43 176.47 1p84 h LEU 389 N -0.06 0.79 0.23 1.61 3.38 -1.24 -0.37 115.31 119.64 1p84 h LEU 389 Ca 0.11 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1p84 h LEU 389 Cb 0.22 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1p84 h LEU 389 CO -0.24 0.59 -0.11 0.25 0.09 0.00 0.00 178.44 179.02 1p84 h LEU 390 N 0.91 -0.26 -0.14 1.67 6.46 -0.49 -2.03 115.31 121.44 1p84 h LEU 390 Ca 0.24 -0.15 0.01 0.00 -0.12 0.00 0.00 57.88 57.86 1p84 h LEU 390 Cb -0.07 0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 39.92 1p84 h LEU 390 CO -0.05 0.01 0.06 1.23 -0.62 0.00 0.00 178.44 179.07 1p84 h GLY 391 N -0.53 0.18 0.59 3.75 0.00 -0.82 -1.76 103.07 104.47 1p84 h GLY 391 Ca -0.03 -0.04 0.06 0.00 0.00 0.00 0.00 47.33 47.32 1p84 h GLY 391 CO 0.05 0.04 0.26 0.00 0.00 0.00 0.00 176.54 176.89 1p84 h ALA 392 N 1.08 0.74 -0.20 3.60 0.00 -1.08 -1.92 119.26 121.48 1p84 h ALA 392 Ca 0.06 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1p84 h ALA 392 Cb 0.02 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1p84 h ALA 392 CO -0.05 -0.11 -0.17 0.93 0.00 0.00 0.00 179.25 179.85 1p84 h GLU 393 N 0.49 0.47 0.00 0.00 5.08 -1.24 -3.13 114.58 116.26 1p84 h GLU 393 Ca 0.27 -0.24 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1p84 h GLU 393 Cb 0.23 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 1p84 h GLU 393 CO -0.22 0.80 -0.12 -0.39 -1.00 0.00 0.00 179.01 178.09 1p84 h VAL 394 N 0.15 0.49 0.00 3.13 -1.51 -1.17 -1.79 116.25 115.55 1p84 h VAL 394 Ca 0.04 -0.58 -0.11 0.00 -1.23 0.00 0.00 66.70 64.81 1p84 h VAL 394 Cb 0.70 1.39 -0.02 0.00 -2.13 0.00 0.00 31.29 31.24 1p84 h VAL 394 CO 0.04 0.12 -0.52 -0.07 -1.23 0.00 0.00 177.57 175.91 1p84 h LEU 395 N 0.00 0.00 0.00 4.19 3.38 -1.30 -2.33 115.31 119.24 1p84 h LEU 395 Ca -0.00 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.59 1p84 h LEU 395 Cb 0.39 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.07 1p84 h LEU 395 CO 0.02 0.52 -2.41 -0.38 0.09 0.00 0.00 178.44 176.27 1p84 n ILE 396 N -3.42 1.42 -1.18 1.22 5.41 -0.96 -4.68 119.36 117.18 1p84 n ILE 396 Ca 0.00 -0.73 0.06 0.00 1.00 0.00 0.00 62.75 63.09 1p84 n ILE 396 Cb 0.65 -0.87 0.09 0.00 -0.71 0.00 0.00 39.64 38.80 1p84 n ILE 396 CO 0.00 0.00 0.00 2.29 0.00 0.00 0.00 176.55 178.84 1p84 n LYS 397 N -2.96 1.11 -1.07 0.38 2.85 -0.72 -5.00 118.16 112.75 1p84 n LYS 397 Ca -0.38 -2.03 -0.06 0.00 -1.05 0.00 0.00 58.31 54.79 1p84 n LYS 397 Cb 1.08 -1.18 -0.02 0.00 -0.65 0.00 0.00 35.03 34.25 1p84 n LYS 397 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1p84 n GLY 398 N -0.96 0.53 3.61 2.58 0.00 -0.88 -4.85 105.19 105.21 1p84 n GLY 398 Ca 0.10 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.12 1p84 n GLY 398 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1p84 s SER 399 N -1.99 -0.05 -0.07 1.61 1.04 -1.26 -4.96 113.70 108.03 1p84 s SER 399 Ca 0.00 -0.03 -0.00 0.00 0.48 0.00 0.00 55.95 56.39 1p84 s SER 399 Cb 0.00 0.08 -0.03 0.00 0.10 0.00 0.00 66.02 66.16 1p84 s SER 399 CO 0.00 -0.13 -0.03 -0.75 0.98 0.00 0.00 173.24 173.31 1p84 s LYS 400 N -2.21 2.85 -0.17 4.02 2.20 -1.26 -4.19 119.74 120.97 1p84 s LYS 400 Ca 0.12 -0.49 -0.25 0.00 -0.36 0.00 0.00 55.97 54.99 1p84 s LYS 400 Cb 0.02 -2.69 -0.02 0.00 -1.51 0.00 0.00 37.83 33.64 1p84 s LYS 400 CO -0.04 0.68 0.81 -1.17 -0.36 0.00 0.00 175.35 175.27 1p84 s LEU 401 N -0.91 4.18 0.40 5.43 2.96 -1.26 -4.98 118.68 124.49 1p84 s LEU 401 Ca 0.13 1.14 -0.26 0.00 -0.22 0.00 0.00 54.13 54.92 1p84 s LEU 401 Cb -0.11 -3.20 -0.09 0.00 0.50 0.00 0.00 46.19 43.29 1p84 s LEU 401 CO 0.03 -0.38 1.29 -0.94 -1.32 0.00 0.00 176.35 175.03 1p84 s SER 402 N 1.15 6.37 0.31 3.68 1.04 -1.26 -4.87 113.70 120.12 1p84 s SER 402 Ca 0.37 2.64 0.07 0.00 0.48 0.00 0.00 55.95 59.51 1p84 s SER 402 Cb -0.16 -2.64 0.80 0.00 0.10 0.00 0.00 66.02 64.12 1p84 s SER 402 CO 0.12 -0.81 1.73 0.25 0.98 0.00 0.00 173.24 175.52 1p84 h LEU 403 N 2.75 0.60 -1.11 2.42 5.85 -1.95 0.24 115.31 124.10 1p84 h LEU 403 Ca -0.49 0.13 -0.09 0.00 0.84 0.00 0.00 57.88 58.27 1p84 h LEU 403 Cb 1.24 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.31 1p84 h LEU 403 CO 0.63 0.11 -0.38 1.23 -0.34 0.00 0.00 178.44 179.69 1p84 h GLY 404 N 0.57 0.13 2.00 3.75 0.00 -1.98 -2.54 103.07 104.99 1p84 h GLY 404 Ca 0.60 -0.11 -0.11 0.00 0.00 0.00 0.00 47.33 47.71 1p84 h GLY 404 CO -0.47 0.10 -0.54 0.83 0.00 0.00 0.00 176.54 176.47 1p84 h GLU 405 N 0.10 0.00 0.17 4.80 4.39 -0.92 -3.12 114.58 120.01 1p84 h GLU 405 Ca 0.01 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 1p84 h GLU 405 Cb 0.72 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.38 1p84 h GLU 405 CO 0.05 0.54 -0.08 0.00 -1.16 0.00 0.00 179.01 178.36 1p84 h ALA 406 N 1.46 -0.22 -0.99 3.43 0.00 -0.95 -3.18 119.26 118.81 1p84 h ALA 406 Ca -0.01 -0.21 0.22 0.00 0.00 0.00 0.00 54.91 54.92 1p84 h ALA 406 Cb 0.99 0.09 -0.12 0.00 0.00 0.00 0.00 17.79 18.74 1p84 h ALA 406 CO 0.07 -0.39 0.57 0.74 0.00 0.00 0.00 179.25 180.24 1p84 h PHE 407 N -0.69 0.98 -0.76 0.00 -1.00 -1.50 0.22 116.94 114.20 1p84 h PHE 407 Ca -0.02 0.04 -0.02 0.00 2.81 0.00 0.00 57.97 60.78 1p84 h PHE 407 Cb 0.49 -0.28 -0.04 0.00 3.61 0.00 0.00 35.95 39.74 1p84 h PHE 407 CO 0.06 0.10 0.41 0.87 -1.61 0.00 0.00 178.31 178.14 1p84 h LYS 408 N 0.61 1.06 -0.15 1.51 1.57 -1.56 -0.39 116.57 119.22 1p84 h LYS 408 Ca 0.61 -0.12 -0.14 0.00 -1.87 0.00 0.00 60.65 59.13 1p84 h LYS 408 Cb 1.09 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 33.20 1p84 h LYS 408 CO -0.45 0.78 -0.46 0.87 -0.57 0.00 0.00 179.45 179.62 1p84 h LYS 409 N 1.06 0.58 -0.13 3.15 1.57 -0.63 -2.97 116.57 119.20 1p84 h LYS 409 Ca 0.27 -0.42 0.02 0.00 -1.87 0.00 0.00 60.65 58.65 1p84 h LYS 409 Cb 0.04 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1p84 h LYS 409 CO -0.04 1.04 0.02 0.82 -0.57 0.00 0.00 179.45 180.71 1p84 h ILE 410 N 0.23 0.93 0.00 1.86 2.04 -0.73 -2.34 117.51 119.50 1p84 h ILE 410 Ca -0.01 -0.02 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 1p84 h ILE 410 Cb 1.08 0.85 -0.00 0.00 -0.74 0.00 0.00 36.82 38.01 1p84 h ILE 410 CO 0.10 0.01 -0.07 0.44 0.00 0.00 0.00 178.15 178.63 1p84 h ASP 411 N 0.07 0.00 0.92 1.72 3.45 -1.13 -2.64 116.42 118.80 1p84 h ASP 411 Ca 0.06 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.52 1p84 h ASP 411 Cb 0.06 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.83 1p84 h ASP 411 CO -0.09 0.07 0.00 0.00 -1.57 0.00 0.00 179.24 177.66 1p84 n ALA 412 N -2.23 2.14 -2.26 3.45 0.00 -0.88 -4.84 120.51 115.90 1p84 n ALA 412 Ca -0.02 -0.07 -0.42 0.00 0.00 0.00 0.00 53.44 52.93 1p84 n ALA 412 Cb 0.21 -1.41 -0.03 0.00 0.00 0.00 0.00 19.45 18.22 1p84 n ALA 412 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1p84 s ILE 413 N -3.02 3.77 0.40 0.00 1.01 -1.00 -5.03 121.20 117.32 1p84 s ILE 413 Ca 0.12 1.16 0.08 0.00 0.00 0.00 0.00 60.65 62.00 1p84 s ILE 413 Cb 0.16 -3.75 -0.01 0.00 0.01 0.00 0.00 42.46 38.87 1p84 s ILE 413 CO 0.47 0.01 0.46 0.42 0.00 0.00 0.00 174.94 176.29 1p84 s THR 414 N 2.23 3.05 0.31 2.92 -4.23 -1.26 -5.01 115.64 113.65 1p84 s THR 414 Ca 0.63 -1.17 -0.00 0.00 -1.18 0.00 0.00 61.69 59.97 1p84 s THR 414 Cb -0.31 -3.07 0.22 0.00 1.34 0.00 0.00 72.50 70.69 1p84 s THR 414 CO 0.26 -0.04 1.93 0.58 -0.54 0.00 0.00 174.62 176.81 1p84 h VAL 415 N 0.88 1.20 -0.45 2.29 2.07 -1.96 -1.96 116.25 118.33 1p84 h VAL 415 Ca -0.42 -0.52 0.02 0.00 0.82 0.00 0.00 66.70 66.60 1p84 h VAL 415 Cb 1.27 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 1p84 h VAL 415 CO 0.52 0.23 0.30 0.11 0.02 0.00 0.00 177.57 178.74 1p84 h LYS 416 N 0.89 0.54 0.14 1.57 1.57 -1.98 -1.32 116.57 117.98 1p84 h LYS 416 Ca 0.22 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.97 1p84 h LYS 416 Cb 0.05 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.24 1p84 h LYS 416 CO -0.03 0.36 -0.07 -0.44 -0.57 0.00 0.00 179.45 178.69 1p84 h ASP 417 N 0.55 -0.16 -0.45 0.86 3.32 -1.75 -1.53 116.42 117.27 1p84 h ASP 417 Ca 0.17 -0.23 0.06 0.00 0.02 0.00 0.00 57.03 57.06 1p84 h ASP 417 Cb 0.02 0.04 -0.05 0.00 0.22 0.00 0.00 39.33 39.56 1p84 h ASP 417 CO -0.04 0.15 0.15 0.58 -1.72 0.00 0.00 179.24 178.35 1p84 h VAL 418 N -0.47 0.84 -0.55 -1.35 2.07 -1.33 -0.67 116.25 114.79 1p84 h VAL 418 Ca -0.02 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 1p84 h VAL 418 Cb 0.38 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 1p84 h VAL 418 CO 0.03 0.06 0.29 0.11 0.02 0.00 0.00 177.57 178.08 1p84 h LYS 419 N 0.31 0.75 -0.07 1.57 1.57 -1.19 -0.02 116.57 119.50 1p84 h LYS 419 Ca 0.21 -0.08 -0.23 0.00 -1.87 0.00 0.00 60.65 58.69 1p84 h LYS 419 Cb 0.22 -0.15 0.01 0.00 0.08 0.00 0.00 32.23 32.38 1p84 h LYS 419 CO -0.23 0.56 -0.87 0.00 -0.57 0.00 0.00 179.45 178.34 1p84 h ALA 420 N 1.56 0.32 0.05 3.86 0.00 -0.69 -2.43 119.26 121.94 1p84 h ALA 420 Ca 0.20 -0.65 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 1p84 h ALA 420 Cb 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1p84 h ALA 420 CO -0.03 0.72 -0.03 2.35 0.00 0.00 0.00 179.25 182.27 1p84 h TRP 421 N 0.40 -0.07 -0.81 0.00 7.01 -0.67 -3.03 115.95 118.78 1p84 h TRP 421 Ca -0.07 -0.00 -0.01 0.00 2.11 0.00 0.00 58.89 60.91 1p84 h TRP 421 Cb 1.50 0.02 -0.04 0.00 -2.10 0.00 0.00 29.16 28.54 1p84 h TRP 421 CO 0.08 0.25 0.46 0.00 -2.79 0.00 0.00 178.44 176.44 1p84 h ALA 422 N 0.53 1.28 0.00 2.65 0.00 -1.11 0.48 119.26 123.10 1p84 h ALA 422 Ca -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1p84 h ALA 422 Cb 0.35 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1p84 h ALA 422 CO 0.01 0.60 0.00 0.41 0.00 0.00 0.00 179.25 180.27 1p84 n GLY 423 N -1.21 -0.96 0.09 0.00 0.00 -0.91 -0.37 105.19 101.83 1p84 n GLY 423 Ca 0.09 0.11 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 1p84 n GLY 423 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1p84 n LYS 424 N -2.06 0.50 -0.06 1.61 3.00 -0.48 -4.49 118.16 116.18 1p84 n LYS 424 Ca 0.00 0.11 -0.06 0.00 -0.00 0.00 0.00 58.31 58.36 1p84 n LYS 424 Cb 0.11 -1.38 -0.15 0.00 0.00 0.00 0.00 35.03 33.61 1p84 n LYS 424 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1p84 n ARG 425 N -3.05 0.67 -0.08 1.64 3.00 0.04 -4.78 116.66 114.10 1p84 n ARG 425 Ca -0.34 0.03 -0.12 0.00 -0.01 0.00 0.00 57.85 57.42 1p84 n ARG 425 Cb 0.86 -1.59 -0.07 0.00 0.00 0.00 0.00 32.46 31.67 1p84 n ARG 425 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1p84 n LEU 426 N -2.74 2.78 -4.62 0.55 4.32 0.51 -4.71 117.00 113.09 1p84 n LEU 426 Ca -0.25 -0.05 -0.43 0.00 -0.02 0.00 0.00 56.01 55.27 1p84 n LEU 426 Cb 1.04 -0.53 -0.03 0.00 -1.62 0.00 0.00 43.42 42.28 1p84 n LEU 426 CO 0.44 0.71 1.49 0.86 -1.22 0.00 0.00 177.39 179.67 1p84 s TRP 427 N -2.31 1.86 -1.29 -1.77 -0.11 -0.58 -3.47 118.94 111.28 1p84 s TRP 427 Ca -0.21 0.52 -0.01 0.00 1.22 0.00 0.00 56.10 57.61 1p84 s TRP 427 Cb 0.06 -4.06 -0.00 0.00 -1.50 0.00 0.00 33.47 27.97 1p84 s TRP 427 CO 0.35 -3.19 0.71 -3.47 -4.62 0.00 0.00 176.95 166.73 1p84 n ASP 428 N 9.41 -1.49 -4.35 5.86 2.03 0.04 -4.87 116.55 123.17 1p84 n ASP 428 Ca 0.21 -0.82 -0.28 0.00 0.52 0.00 0.00 54.79 54.43 1p84 n ASP 428 Cb 0.46 -4.07 -0.13 0.00 -0.72 0.00 0.00 41.12 36.65 1p84 n ASP 428 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 1p84 s GLN 429 N -5.92 1.36 0.86 -0.67 -1.52 -1.23 -5.10 119.66 107.45 1p84 s GLN 429 Ca 0.03 -1.25 -0.12 0.00 -1.95 0.00 0.00 55.36 52.07 1p84 s GLN 429 Cb -0.01 -1.75 0.11 0.00 -0.22 0.00 0.00 33.01 31.14 1p84 s GLN 429 CO 0.81 0.42 1.15 -0.25 -0.25 0.00 0.00 175.29 177.17 1p84 n ASP 430 N 1.09 0.63 -4.28 5.90 10.43 -1.26 -4.96 116.55 124.10 1p84 n ASP 430 Ca -0.18 0.51 -0.18 0.00 2.57 0.00 0.00 54.79 57.51 1p84 n ASP 430 Cb 0.53 -1.48 -0.10 0.00 1.84 0.00 0.00 41.12 41.91 1p84 n ASP 430 CO 0.00 0.00 0.00 0.27 -1.07 0.00 0.00 177.20 176.40 1p84 s ILE 431 N -2.33 0.65 -0.01 0.53 -4.36 -1.26 -4.61 121.20 109.80 1p84 s ILE 431 Ca 0.70 -2.00 0.05 0.00 -0.26 0.00 0.00 60.65 59.15 1p84 s ILE 431 Cb -0.27 -2.63 -0.01 0.00 1.25 0.00 0.00 42.46 40.80 1p84 s ILE 431 CO 0.54 0.00 -0.17 0.00 0.24 0.00 0.00 174.94 175.55 1p84 s ALA 432 N -3.61 1.43 0.10 2.27 0.00 0.46 -2.31 121.76 120.10 1p84 s ALA 432 Ca 0.36 -0.74 0.04 0.00 0.00 0.00 0.00 51.96 51.63 1p84 s ALA 432 Cb 0.07 -0.37 -0.04 0.00 0.00 0.00 0.00 23.12 22.79 1p84 s ALA 432 CO 0.15 0.35 -0.10 0.42 0.00 0.00 0.00 175.76 176.57 1p84 s ILE 433 N -0.39 0.99 -0.28 0.00 1.01 -0.73 -1.76 121.20 120.05 1p84 s ILE 433 Ca 0.06 -1.68 -0.25 0.00 0.00 0.00 0.00 60.65 58.78 1p84 s ILE 433 Cb -0.07 -1.42 0.09 0.00 0.01 0.00 0.00 42.46 41.08 1p84 s ILE 433 CO -0.01 -0.56 0.86 0.00 0.00 0.00 0.00 174.94 175.23 1p84 s ALA 434 N -2.49 -1.87 0.12 9.38 0.00 -0.98 -2.15 121.76 123.77 1p84 s ALA 434 Ca 0.07 1.97 -0.25 0.00 0.00 0.00 0.00 51.96 53.75 1p84 s ALA 434 Cb -0.03 -1.30 0.07 0.00 0.00 0.00 0.00 23.12 21.86 1p84 s ALA 434 CO 0.00 -0.29 0.80 0.20 0.00 0.00 0.00 175.76 176.47 1p84 s GLY 435 N 0.34 -0.39 0.16 0.00 0.00 -1.15 -1.29 107.32 104.99 1p84 s GLY 435 Ca 0.01 0.46 -0.08 0.00 0.00 0.00 0.00 44.72 45.11 1p84 s GLY 435 CO -0.03 0.14 0.26 -1.08 0.00 0.00 0.00 173.10 172.40 1p84 s THR 436 N -3.46 0.07 0.00 0.90 -1.32 -0.69 -0.74 115.64 110.41 1p84 s THR 436 Ca 0.07 -1.42 0.00 0.00 -1.21 0.00 0.00 61.69 59.13 1p84 s THR 436 Cb -0.02 -1.83 0.00 0.00 -1.51 0.00 0.00 72.50 69.14 1p84 s THR 436 CO -0.05 -0.33 0.00 0.61 -2.21 0.00 0.00 174.62 172.64 1p84 n GLY 437 N -0.20 -1.26 2.91 6.08 0.00 -1.23 -1.89 105.19 109.61 1p84 n GLY 437 Ca -0.08 -1.72 -0.40 0.00 0.00 0.00 0.00 46.02 43.83 1p84 n GLY 437 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1p84 n GLN 438 N 0.00 1.97 -0.87 1.61 6.02 -0.60 -1.88 117.38 123.63 1p84 n GLN 438 Ca 0.00 -1.97 -0.10 0.00 -0.01 0.00 0.00 57.00 54.91 1p84 n GLN 438 Cb 0.00 -2.93 0.21 0.00 1.02 0.00 0.00 30.24 28.53 1p84 n GLN 438 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 1p84 n ILE 439 N 5.45 2.53 -0.04 5.09 -5.35 -1.26 -4.45 119.36 121.33 1p84 n ILE 439 Ca 0.51 -1.36 -0.01 0.00 -0.27 0.00 0.00 62.75 61.62 1p84 n ILE 439 Cb 0.36 -0.49 0.27 0.00 -1.74 0.00 0.00 39.64 38.03 1p84 n ILE 439 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 1p84 h GLU 440 N 1.64 0.62 0.00 6.28 4.81 -1.91 -2.69 114.58 123.33 1p84 h GLU 440 Ca 0.32 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 1p84 h GLU 440 Cb 2.18 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 31.47 1p84 h GLU 440 CO 0.70 0.60 0.00 0.41 -0.73 0.00 0.00 179.01 179.99 1p84 n GLY 441 N -0.90 -1.27 3.59 1.92 0.00 -1.26 -4.64 105.19 102.63 1p84 n GLY 441 Ca 0.02 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 1p84 n GLY 441 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1p84 s LEU 442 N -3.67 3.55 1.29 0.99 2.96 -1.02 -3.97 118.68 118.81 1p84 s LEU 442 Ca 0.08 0.64 -0.18 0.00 -0.22 0.00 0.00 54.13 54.44 1p84 s LEU 442 Cb 0.11 -3.43 0.31 0.00 0.50 0.00 0.00 46.19 43.68 1p84 s LEU 442 CO 0.40 -1.47 0.78 0.18 -1.32 0.00 0.00 176.35 174.91 1p84 n LEU 443 N 8.86 -1.27 -4.55 -0.68 4.32 -1.26 -4.99 117.00 117.42 1p84 n LEU 443 Ca 0.15 -0.49 -0.29 0.00 -0.02 0.00 0.00 56.01 55.36 1p84 n LEU 443 Cb 0.48 -1.07 0.22 0.00 -1.62 0.00 0.00 43.42 41.44 1p84 n LEU 443 CO 0.71 -3.85 0.57 1.51 -1.22 0.00 0.00 177.39 175.10 1p84 s ASP 444 N -2.56 1.57 0.09 -1.43 -4.77 -1.26 -4.84 116.67 103.47 1p84 s ASP 444 Ca 0.64 1.63 -0.31 0.00 -3.30 0.00 0.00 52.55 51.21 1p84 s ASP 444 Cb -0.17 -2.32 -0.14 0.00 -1.09 0.00 0.00 42.92 39.20 1p84 s ASP 444 CO 0.59 -3.85 1.62 0.22 0.70 0.00 0.00 175.17 174.45 1p84 h TYR 445 N -2.38 -0.88 -0.28 2.11 3.20 -2.00 -2.67 116.97 114.07 1p84 h TYR 445 Ca -0.57 0.00 0.08 0.00 3.14 0.00 0.00 58.73 61.38 1p84 h TYR 445 Cb 1.32 0.33 -0.01 0.00 1.54 0.00 0.00 36.73 39.91 1p84 h TYR 445 CO 0.32 -0.48 0.29 0.52 -1.64 0.00 0.00 178.16 177.18 1p84 h MET 446 N -0.72 0.00 0.10 1.82 2.86 -1.97 0.29 114.93 117.31 1p84 h MET 446 Ca -0.03 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 1p84 h MET 446 Cb 0.63 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.29 1p84 h MET 446 CO -0.03 0.00 -0.05 0.00 1.06 0.00 0.00 176.91 177.89 1p84 h ARG 447 N 0.00 -0.13 -0.03 1.72 2.47 -1.84 -1.20 114.38 115.37 1p84 h ARG 447 Ca 0.13 0.01 -0.00 0.00 -1.26 0.00 0.00 59.98 58.86 1p84 h ARG 447 Cb 0.71 0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 29.06 1p84 h ARG 447 CO -0.00 0.32 0.02 0.82 0.56 0.00 0.00 179.97 181.68 1p84 h ILE 448 N -0.66 1.04 -0.98 2.04 1.08 -1.18 -2.93 117.51 115.93 1p84 h ILE 448 Ca -0.01 -0.12 0.11 0.00 -0.39 0.00 0.00 64.86 64.45 1p84 h ILE 448 Cb 0.51 1.08 -0.08 0.00 -3.07 0.00 0.00 36.82 35.26 1p84 h ILE 448 CO 0.02 0.04 0.62 -0.09 -0.69 0.00 0.00 178.15 178.05 1p84 h ARG 449 N -0.01 0.93 -0.12 2.37 9.65 -0.50 -1.29 114.38 125.42 1p84 h ARG 449 Ca 0.01 -0.06 -0.03 0.00 -1.10 0.00 0.00 59.98 58.80 1p84 h ARG 449 Cb 0.04 -0.21 -0.01 0.00 -1.39 0.00 0.00 29.97 28.40 1p84 h ARG 449 CO -0.00 0.62 -0.06 0.77 2.80 0.00 0.00 179.97 184.09 1p84 h SER 450 N 0.96 0.16 0.01 -3.80 0.02 -1.03 -2.67 113.55 107.21 1p84 h SER 450 Ca 0.47 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.40 1p84 h SER 450 Cb 0.47 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.97 1p84 h SER 450 CO -0.24 0.26 0.00 0.47 -1.14 0.00 0.00 176.83 176.18 1p84 n ASP 451 N -4.36 0.00 -0.20 3.07 10.43 -0.48 -3.11 116.55 121.90 1p84 n ASP 451 Ca -0.01 -0.55 0.00 0.00 2.57 0.00 0.00 54.79 56.80 1p84 n ASP 451 Cb 0.20 -0.01 0.00 0.00 1.84 0.00 0.00 41.12 43.15 1p84 n ASP 451 CO 0.00 0.00 0.00 0.23 -1.07 0.00 0.00 177.20 176.36 1p84 n MET 452 N -1.01 0.98 -3.34 -1.24 2.81 -1.01 -4.62 117.12 109.70 1p84 n MET 452 Ca 0.13 0.00 -0.08 0.00 -1.81 0.00 0.00 57.70 55.95 1p84 n MET 452 Cb 0.06 -1.19 0.02 0.00 -0.71 0.00 0.00 33.22 31.40 1p84 n MET 452 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1p84 n SER 453 N -0.30 -1.88 -4.02 7.83 3.41 -1.18 -0.78 113.62 116.69 1p84 n SER 453 Ca 0.00 -2.35 -0.08 0.00 -0.26 0.00 0.00 58.87 56.18 1p84 n SER 453 Cb 0.10 3.15 -0.11 0.00 -0.26 0.00 0.00 64.21 67.09 1p84 n SER 453 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1p84 s MET 454 N -2.11 0.43 0.47 4.33 1.00 -1.26 -5.06 119.30 117.09 1p84 s MET 454 Ca 0.14 -0.84 -0.20 0.00 0.00 0.00 0.00 55.69 54.79 1p84 s MET 454 Cb -0.04 0.13 -0.09 0.00 0.00 0.00 0.00 34.83 34.83 1p84 s MET 454 CO 0.10 -0.07 1.01 -1.64 0.00 0.00 0.00 175.02 174.43 1p84 s MET 455 N -2.36 3.93 0.17 2.03 -1.94 -1.26 -5.07 119.30 114.80 1p84 s MET 455 Ca -0.07 1.29 -0.19 0.00 -1.71 0.00 0.00 55.69 55.01 1p84 s MET 455 Cb -0.03 -2.12 0.04 0.00 2.01 0.00 0.00 34.83 34.73 1p84 s MET 455 CO -0.04 -0.31 0.52 -0.98 -0.01 0.00 0.00 175.02 174.19 1p84 s ARG 456 N -3.22 1.27 0.00 2.03 1.70 -1.26 -5.32 118.95 114.15 1p84 s ARG 456 Ca 0.66 -0.70 0.32 0.00 -0.47 0.00 0.00 55.73 55.53 1p84 s ARG 456 Cb -0.14 0.53 1.84 0.00 -0.57 0.00 0.00 34.95 36.61 1p84 s ARG 456 CO 0.18 -0.54 2.19 1.87 -1.08 0.00 0.00 175.30 177.92