#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jir s VAL 17 N 0.00 4.65 -0.58 1.39 1.01 0.57 -4.02 120.40 123.43 1jir s VAL 17 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 61.90 1jir s VAL 17 Cb 0.00 -3.08 0.00 0.00 0.00 0.00 0.00 36.38 33.30 1jir s VAL 17 CO 0.00 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.18 1jir n GLY 18 N 3.45 0.73 0.00 4.51 0.00 -1.23 -1.72 105.19 110.93 1jir n GLY 18 Ca -0.17 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.06 1jir n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jir n GLY 19 N -2.14 2.07 3.14 -0.02 0.00 -1.26 -4.84 105.19 102.14 1jir n GLY 19 Ca -0.06 -2.05 -0.09 0.00 0.00 0.00 0.00 46.02 43.83 1jir n GLY 19 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1jir s TYR 20 N 1.90 0.75 -0.17 1.61 1.13 -0.56 -4.94 117.35 117.08 1jir s TYR 20 Ca 0.00 -1.17 -0.29 0.00 -1.41 0.00 0.00 57.07 54.20 1jir s TYR 20 Cb 0.00 -0.44 -0.02 0.00 -1.10 0.00 0.00 41.96 40.40 1jir s TYR 20 CO 0.00 -0.49 1.40 0.99 -2.51 0.00 0.00 175.55 174.94 1jir s THR 21 N -4.01 4.04 0.21 -3.49 2.01 -1.26 0.26 115.64 113.40 1jir s THR 21 Ca 0.19 1.23 -0.09 0.00 0.31 0.00 0.00 61.69 63.33 1jir s THR 21 Cb 0.07 -3.87 0.16 0.00 0.01 0.00 0.00 72.50 68.87 1jir s THR 21 CO -0.01 -0.20 1.85 0.00 -0.69 0.00 0.00 174.62 175.57 1jir n GLY 23 N -1.30 2.64 3.67 0.00 0.00 -1.26 -4.79 105.19 104.16 1jir n GLY 23 Ca 0.08 -1.58 -0.53 0.00 0.00 0.00 0.00 46.02 43.99 1jir n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jir n ALA 24 N 1.20 0.43 -2.14 4.61 0.00 -1.26 -2.49 120.51 120.86 1jir n ALA 24 Ca 0.00 0.29 -0.20 0.00 0.00 0.00 0.00 53.44 53.53 1jir n ALA 24 Cb 0.00 -2.39 -0.03 0.00 0.00 0.00 0.00 19.45 17.03 1jir n ALA 24 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1jir n ASN 25 N 6.45 -5.64 0.02 0.00 3.02 -1.26 -4.89 115.26 112.96 1jir n ASN 25 Ca 0.26 0.14 0.13 0.00 -0.03 0.00 0.00 54.58 55.08 1jir n ASN 25 Cb 0.21 -4.74 0.46 0.00 -0.61 0.00 0.00 39.78 35.11 1jir n ASN 25 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1jir n THR 26 N -3.53 0.09 -3.45 3.41 -2.24 -1.04 -3.95 114.28 103.56 1jir n THR 26 Ca -0.23 -0.05 -0.26 0.00 -2.27 0.00 0.00 64.05 61.24 1jir n THR 26 Cb 0.67 -0.26 -0.09 0.00 -2.10 0.00 0.00 70.33 68.56 1jir n THR 26 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1jir n VAL 27 N -1.62 1.05 0.30 2.28 0.31 -1.26 -4.98 118.33 114.41 1jir n VAL 27 Ca 0.06 -4.65 0.19 0.00 -0.01 0.00 0.00 64.34 59.93 1jir n VAL 27 Cb 0.36 -2.03 1.02 0.00 -0.91 0.00 0.00 33.84 32.27 1jir n VAL 27 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1jir h PRO 28 N 4.53 0.00 -0.01 5.55 0.13 -1.75 -1.98 132.00 138.47 1jir h PRO 28 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1jir h PRO 28 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 1jir h PRO 28 CO 0.67 0.00 -0.37 2.48 -0.23 0.00 0.00 178.00 180.55 1jir n TYR 29 N -2.86 0.00 -2.46 1.56 0.18 -1.11 -2.04 117.16 110.43 1jir n TYR 29 Ca -0.02 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.34 1jir n TYR 29 Cb 0.13 -0.15 -0.03 0.00 -0.38 0.00 0.00 39.34 38.90 1jir n TYR 29 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 1jir s GLN 30 N -2.67 4.46 0.21 -3.48 2.00 -0.75 -1.52 119.66 117.91 1jir s GLN 30 Ca 0.19 1.74 0.09 0.00 -2.00 0.00 0.00 55.36 55.37 1jir s GLN 30 Cb 0.19 -3.35 -0.05 0.00 0.80 0.00 0.00 33.01 30.60 1jir s GLN 30 CO 0.59 -0.20 -0.16 0.14 -0.50 0.00 0.00 175.29 175.16 1jir s VAL 31 N 0.87 1.86 -0.12 1.34 -7.23 -0.62 -4.42 120.40 112.08 1jir s VAL 31 Ca 0.57 -2.16 0.01 0.00 -1.81 0.00 0.00 61.98 58.58 1jir s VAL 31 Cb -0.29 -2.03 -0.01 0.00 0.56 0.00 0.00 36.38 34.61 1jir s VAL 31 CO 0.30 -0.50 -0.15 -0.55 -0.31 0.00 0.00 175.10 173.89 1jir s SER 32 N -3.18 3.84 -0.24 4.85 0.15 -0.77 -1.92 113.70 116.43 1jir s SER 32 Ca 0.22 -0.36 -0.15 0.00 0.70 0.00 0.00 55.95 56.36 1jir s SER 32 Cb -0.03 -1.50 -0.04 0.00 -1.71 0.00 0.00 66.02 62.75 1jir s SER 32 CO 0.08 0.18 0.37 -0.76 1.20 0.00 0.00 173.24 174.31 1jir s LEU 33 N 0.24 4.09 -0.02 3.45 1.43 0.50 -0.77 118.68 127.60 1jir s LEU 33 Ca -0.10 0.36 0.07 0.00 -1.03 0.00 0.00 54.13 53.43 1jir s LEU 33 Cb -0.16 -2.43 -0.02 0.00 0.03 0.00 0.00 46.19 43.61 1jir s LEU 33 CO 0.06 -0.13 -0.22 0.21 0.23 0.00 0.00 176.35 176.50 1jir s ASN 34 N 1.37 2.64 -0.32 2.29 3.84 0.23 -1.70 114.94 123.28 1jir s ASN 34 Ca 0.16 -0.41 0.18 0.00 0.21 0.00 0.00 52.86 53.00 1jir s ASN 34 Cb -0.15 -0.30 0.46 0.00 -0.55 0.00 0.00 41.25 40.71 1jir s ASN 34 CO 0.09 0.28 0.98 -1.54 -2.79 0.00 0.00 177.10 174.11 1jir n SER 37 N 2.53 1.30 0.00 -4.21 3.41 -1.26 -0.95 113.62 114.44 1jir n SER 37 Ca -0.15 -2.65 0.00 0.00 -0.26 0.00 0.00 58.87 55.80 1jir n SER 37 Cb 0.52 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 1jir n SER 37 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jir n GLY 38 N -0.12 0.73 3.60 5.00 0.00 -1.26 -4.98 105.19 108.14 1jir n GLY 38 Ca 0.08 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.05 1jir n GLY 38 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1jir s TYR 39 N -2.67 -0.17 -0.02 1.61 1.13 -1.26 -5.14 117.35 110.83 1jir s TYR 39 Ca 0.00 0.21 -0.30 0.00 -1.41 0.00 0.00 57.07 55.57 1jir s TYR 39 Cb 0.00 0.50 -0.04 0.00 -1.10 0.00 0.00 41.96 41.31 1jir s TYR 39 CO 0.00 -0.21 1.24 -1.58 -2.51 0.00 0.00 175.55 172.49 1jir s HIS 40 N -1.79 3.18 0.00 -3.49 5.65 -1.26 -4.33 115.29 113.24 1jir s HIS 40 Ca 0.06 1.16 0.00 0.00 0.25 0.00 0.00 55.06 56.53 1jir s HIS 40 Cb -0.01 -3.47 0.00 0.00 -1.18 0.00 0.00 32.58 27.93 1jir s HIS 40 CO -0.04 -1.51 0.00 1.97 -0.65 0.00 0.00 174.74 174.50 1jir n PHE 41 N 4.97 0.00 -3.45 3.88 1.16 -0.69 -5.01 117.46 118.32 1jir n PHE 41 Ca 0.11 0.00 -0.13 0.00 -1.87 0.00 0.00 57.45 55.56 1jir n PHE 41 Cb 0.46 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.30 1jir n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1jir s GLY 43 N -2.36 1.74 0.15 0.00 0.00 0.81 -0.37 107.32 107.30 1jir s GLY 43 Ca -0.02 -1.98 -0.24 0.00 0.00 0.00 0.00 44.72 42.48 1jir s GLY 43 CO -0.07 -1.46 1.00 -0.32 0.00 0.00 0.00 173.10 172.25 1jir s GLY 44 N -4.71 -0.14 -0.06 0.20 0.00 -0.81 -3.76 107.32 98.05 1jir s GLY 44 Ca 0.64 0.03 0.02 0.00 0.00 0.00 0.00 44.72 45.41 1jir s GLY 44 CO 0.41 0.63 -0.11 -0.56 0.00 0.00 0.00 173.10 173.47 1jir s SER 45 N -3.07 1.60 -0.30 1.64 0.01 -0.08 -1.59 113.70 111.91 1jir s SER 45 Ca 0.15 -0.26 -0.26 0.00 1.31 0.00 0.00 55.95 56.88 1jir s SER 45 Cb -0.01 -0.70 0.01 0.00 0.21 0.00 0.00 66.02 65.52 1jir s SER 45 CO 0.03 0.03 0.94 -0.22 0.41 0.00 0.00 173.24 174.43 1jir s LEU 46 N 0.62 4.03 0.00 2.44 2.96 -0.58 -0.41 118.68 127.73 1jir s LEU 46 Ca -0.12 0.94 0.22 0.00 -0.22 0.00 0.00 54.13 54.94 1jir s LEU 46 Cb -0.15 -3.33 -0.26 0.00 0.50 0.00 0.00 46.19 42.95 1jir s LEU 46 CO 0.03 -0.72 0.64 2.30 -1.32 0.00 0.00 176.35 177.28 1jir n ILE 47 N 5.62 0.06 -3.84 6.68 -5.35 -0.58 -0.64 119.36 121.32 1jir n ILE 47 Ca 0.08 -0.39 -0.06 0.00 -0.27 0.00 0.00 62.75 62.11 1jir n ILE 47 Cb 0.47 0.17 0.02 0.00 -1.74 0.00 0.00 39.64 38.56 1jir n ILE 47 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 1jir n ASN 48 N -2.13 -1.97 0.21 7.28 2.04 -1.21 -4.57 115.26 114.92 1jir n ASN 48 Ca -0.02 -2.21 0.17 0.00 -0.44 0.00 0.00 54.58 52.08 1jir n ASN 48 Cb 0.52 3.24 0.83 0.00 -2.53 0.00 0.00 39.78 41.84 1jir n ASN 48 CO 0.00 0.00 0.00 0.77 -0.44 0.00 0.00 177.26 177.59 1jir h SER 49 N 1.94 0.00 0.00 0.53 4.64 -1.96 -3.15 113.55 115.55 1jir h SER 49 Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1jir h SER 49 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1jir h SER 49 CO 0.39 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.35 1jir n GLN 50 N -3.85 0.56 -4.24 4.77 6.02 -1.26 -0.27 117.38 119.11 1jir n GLN 50 Ca 0.01 -0.87 -0.17 0.00 -0.01 0.00 0.00 57.00 55.97 1jir n GLN 50 Cb 0.29 -0.98 -0.14 0.00 1.02 0.00 0.00 30.24 30.43 1jir n GLN 50 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1jir s TRP 51 N -0.38 0.64 0.05 1.08 0.52 -1.19 -1.00 118.94 118.65 1jir s TRP 51 Ca 0.00 -0.15 0.08 0.00 0.02 0.00 0.00 56.10 56.05 1jir s TRP 51 Cb 0.00 -0.41 -0.03 0.00 -1.15 0.00 0.00 33.47 31.89 1jir s TRP 51 CO 0.00 -0.01 -0.23 0.08 0.02 0.00 0.00 176.95 176.80 1jir s VAL 52 N -0.26 1.89 -0.10 4.03 1.01 0.01 -1.53 120.40 125.45 1jir s VAL 52 Ca 0.02 -1.29 0.01 0.00 0.00 0.00 0.00 61.98 60.71 1jir s VAL 52 Cb -0.03 -1.63 -0.02 0.00 0.00 0.00 0.00 36.38 34.70 1jir s VAL 52 CO -0.00 0.28 -0.13 -0.69 0.00 0.00 0.00 175.10 174.55 1jir s VAL 53 N -0.81 3.06 0.00 2.92 1.01 0.45 -0.18 120.40 126.85 1jir s VAL 53 Ca 0.09 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.39 1jir s VAL 53 Cb -0.09 -2.26 0.00 0.00 0.00 0.00 0.00 36.38 34.03 1jir s VAL 53 CO 0.02 0.55 0.00 -0.24 0.00 0.00 0.00 175.10 175.43 1jir n SER 54 N 3.12 0.00 -4.83 3.32 2.88 0.30 -0.90 113.62 117.51 1jir n SER 54 Ca -0.18 -0.78 -0.38 0.00 -1.33 0.00 0.00 58.87 56.20 1jir n SER 54 Cb 0.53 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.93 1jir n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1jir s ALA 55 N -1.72 3.65 0.37 -1.46 0.00 -1.26 -0.29 121.76 121.04 1jir s ALA 55 Ca 0.00 -0.12 0.04 0.00 0.00 0.00 0.00 51.96 51.87 1jir s ALA 55 Cb 0.00 -2.49 0.70 0.00 0.00 0.00 0.00 23.12 21.33 1jir s ALA 55 CO 0.00 0.45 2.02 0.00 0.00 0.00 0.00 175.76 178.24 1jir h ALA 56 N 4.45 1.59 0.00 0.00 0.00 -1.71 -1.68 119.26 121.91 1jir h ALA 56 Ca -0.50 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1jir h ALA 56 Cb 1.21 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1jir h ALA 56 CO 0.63 0.38 0.00 -2.39 0.00 0.00 0.00 179.25 177.87 1jir n HIS 57 N -4.45 0.00 1.01 0.00 1.44 -1.26 -1.62 115.22 110.34 1jir n HIS 57 Ca 0.05 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.88 1jir n HIS 57 Cb 0.05 -0.23 0.28 0.00 0.12 0.00 0.00 29.99 30.20 1jir n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1jir n TYR 59 N -1.48 0.38 0.00 0.00 9.36 -0.64 -5.01 117.16 119.78 1jir n TYR 59 Ca 0.06 0.47 0.00 0.00 3.32 0.00 0.00 57.90 61.75 1jir n TYR 59 Cb 0.34 -2.10 0.00 0.00 -0.63 0.00 0.00 39.34 36.95 1jir n TYR 59 CO 0.00 0.00 0.00 0.36 0.22 0.00 0.00 176.86 177.44 1jir n LYS 60 N -0.38 0.00 -2.01 2.98 2.85 -1.26 -5.15 118.16 115.19 1jir n LYS 60 Ca 0.12 0.00 -0.32 0.00 -1.05 0.00 0.00 58.31 57.06 1jir n LYS 60 Cb 0.45 0.00 0.01 0.00 -0.65 0.00 0.00 35.03 34.84 1jir n LYS 60 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1jir s SER 61 N 0.00 5.95 -0.48 -5.58 1.04 -1.26 -4.48 113.70 108.89 1jir s SER 61 Ca 0.00 1.68 -0.01 0.00 0.48 0.00 0.00 55.95 58.10 1jir s SER 61 Cb 0.00 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.61 1jir s SER 61 CO 0.00 -1.05 0.47 0.61 0.98 0.00 0.00 173.24 174.24 1jir n GLY 62 N -1.51 -0.95 3.38 7.32 0.00 -1.26 -5.04 105.19 107.12 1jir n GLY 62 Ca 0.08 0.31 -0.33 0.00 0.00 0.00 0.00 46.02 46.08 1jir n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jir s ILE 63 N -2.91 2.83 -0.21 -0.61 1.01 -1.26 -4.66 121.20 115.39 1jir s ILE 63 Ca 0.02 -0.77 -0.01 0.00 0.00 0.00 0.00 60.65 59.89 1jir s ILE 63 Cb -0.00 -2.14 0.01 0.00 0.01 0.00 0.00 42.46 40.34 1jir s ILE 63 CO 0.51 0.56 -0.12 -1.58 0.00 0.00 0.00 174.94 174.30 1jir s GLN 64 N -0.08 3.11 -0.17 2.79 0.74 -0.13 -1.53 119.66 124.40 1jir s GLN 64 Ca -0.03 -0.78 -0.24 0.00 0.05 0.00 0.00 55.36 54.36 1jir s GLN 64 Cb -0.14 -2.80 -0.02 0.00 1.10 0.00 0.00 33.01 31.16 1jir s GLN 64 CO 0.04 -0.24 0.78 0.08 -0.55 0.00 0.00 175.29 175.40 1jir s VAL 65 N 1.36 4.92 -0.31 1.34 1.01 0.38 -0.60 120.40 128.50 1jir s VAL 65 Ca 0.04 1.52 -0.07 0.00 0.00 0.00 0.00 61.98 63.48 1jir s VAL 65 Cb -0.14 -4.09 0.02 0.00 0.00 0.00 0.00 36.38 32.17 1jir s VAL 65 CO -0.08 0.06 0.09 -0.13 0.00 0.00 0.00 175.10 175.04 1jir s ARG 66 N 1.98 2.90 0.27 2.72 1.81 0.05 -1.19 118.95 127.49 1jir s ARG 66 Ca 0.36 -0.99 0.05 0.00 -1.72 0.00 0.00 55.73 53.44 1jir s ARG 66 Cb -0.16 -3.40 -0.02 0.00 -0.45 0.00 0.00 34.95 30.91 1jir s ARG 66 CO 0.12 -0.53 0.39 -0.51 -0.68 0.00 0.00 175.30 174.10 1jir s LEU 67 N 1.46 4.23 -1.70 2.53 1.43 0.17 -1.85 118.68 124.96 1jir s LEU 67 Ca 0.01 0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 1jir s LEU 67 Cb -0.18 -2.85 0.00 0.00 0.03 0.00 0.00 46.19 43.19 1jir s LEU 67 CO 0.02 -0.17 0.00 0.61 0.23 0.00 0.00 176.35 177.05 1jir n GLY 69 N -1.48 1.59 3.83 -3.19 0.00 -1.26 -1.57 105.19 103.11 1jir n GLY 69 Ca -0.07 -0.19 -0.33 0.00 0.00 0.00 0.00 46.02 45.44 1jir n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jir s GLU 70 N -3.33 3.88 0.00 1.61 0.41 -1.26 -4.16 118.70 115.84 1jir s GLU 70 Ca 0.00 1.06 0.00 0.00 -0.41 0.00 0.00 54.97 55.62 1jir s GLU 70 Cb 0.00 -2.12 0.00 0.00 -1.78 0.00 0.00 34.13 30.23 1jir s GLU 70 CO 0.00 -0.33 0.00 -3.47 -0.49 0.00 0.00 175.26 170.97 1jir n ASP 71 N -1.44 0.00 -4.61 -0.19 2.03 -1.26 -4.59 116.55 106.49 1jir n ASP 71 Ca 0.07 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.95 1jir n ASP 71 Cb 0.54 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.91 1jir n ASP 71 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1jir s ASN 72 N 1.02 6.71 0.00 1.67 3.84 -1.25 -2.80 114.94 124.13 1jir s ASN 72 Ca 0.00 0.61 0.32 0.00 0.21 0.00 0.00 52.86 54.00 1jir s ASN 72 Cb 0.00 -2.51 1.84 0.00 -0.55 0.00 0.00 41.25 40.03 1jir s ASN 72 CO 0.00 -1.01 2.19 2.30 -2.79 0.00 0.00 177.10 177.79 1jir n ILE 73 N 6.27 0.00 0.33 -5.21 -5.35 0.16 -3.46 119.36 112.10 1jir n ILE 73 Ca 0.10 -0.01 0.08 0.00 -0.27 0.00 0.00 62.75 62.64 1jir n ILE 73 Cb 0.48 -0.45 -0.11 0.00 -1.74 0.00 0.00 39.64 37.82 1jir n ILE 73 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1jir n ASN 74 N -0.95 1.00 -4.19 7.28 3.02 -1.26 -4.97 115.26 115.19 1jir n ASN 74 Ca 0.23 -0.39 -0.27 0.00 -0.03 0.00 0.00 54.58 54.12 1jir n ASN 74 Cb 0.13 1.42 -0.16 0.00 -0.61 0.00 0.00 39.78 40.56 1jir n ASN 74 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1jir s VAL 75 N -2.87 1.62 -0.47 2.41 1.01 -1.22 -5.09 120.40 115.77 1jir s VAL 75 Ca -0.01 -0.84 -0.26 0.00 0.00 0.00 0.00 61.98 60.87 1jir s VAL 75 Cb 0.11 -1.37 0.03 0.00 0.00 0.00 0.00 36.38 35.16 1jir s VAL 75 CO 0.68 0.46 0.96 -0.69 0.00 0.00 0.00 175.10 176.50 1jir s VAL 76 N -0.19 4.42 -0.15 2.92 1.01 -1.26 -4.74 120.40 122.41 1jir s VAL 76 Ca 0.01 0.77 0.02 0.00 0.00 0.00 0.00 61.98 62.77 1jir s VAL 76 Cb -0.11 -4.47 0.03 0.00 0.00 0.00 0.00 36.38 31.84 1jir s VAL 76 CO 0.01 -0.89 0.88 -1.84 0.00 0.00 0.00 175.10 173.26 1jir n GLU 77 N 7.30 1.78 0.00 2.72 0.28 -1.26 -5.11 120.64 126.35 1jir n GLU 77 Ca 0.07 -1.26 0.00 0.00 -0.16 0.00 0.00 57.16 55.80 1jir n GLU 77 Cb 0.48 -1.03 0.00 0.00 1.43 0.00 0.00 31.44 32.32 1jir n GLU 77 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1jir n GLY 78 N -0.22 2.57 2.57 -1.84 0.00 -1.26 -4.99 105.19 102.01 1jir n GLY 78 Ca 0.01 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.33 1jir n GLY 78 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1jir n ASN 79 N 0.00 0.00 -4.77 1.61 3.02 -1.26 -4.97 115.26 108.89 1jir n ASN 79 Ca 0.00 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.20 1jir n ASN 79 Cb 0.00 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.19 1jir n ASN 79 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1jir s GLU 80 N -0.24 3.12 -0.11 3.52 8.01 -1.26 -4.39 118.70 127.36 1jir s GLU 80 Ca 0.00 1.60 -0.04 0.00 0.01 0.00 0.00 54.97 56.55 1jir s GLU 80 Cb 0.00 -1.97 0.05 0.00 -4.31 0.00 0.00 34.13 27.89 1jir s GLU 80 CO 0.00 -1.03 0.08 -0.65 0.01 0.00 0.00 175.26 173.66 1jir s GLN 81 N -3.50 -0.01 -0.28 1.61 -0.21 -0.61 -4.97 119.66 111.69 1jir s GLN 81 Ca 0.72 0.14 -0.11 0.00 0.02 0.00 0.00 55.36 56.13 1jir s GLN 81 Cb -0.24 -1.20 -0.05 0.00 1.00 0.00 0.00 33.01 32.52 1jir s GLN 81 CO 0.32 -0.51 0.19 -0.06 -2.12 0.00 0.00 175.29 173.11 1jir s PHE 82 N 2.15 3.22 -0.05 0.91 0.08 -1.26 -0.65 117.98 122.38 1jir s PHE 82 Ca 0.03 0.07 0.01 0.00 0.12 0.00 0.00 56.93 57.17 1jir s PHE 82 Cb -0.14 -2.38 0.02 0.00 -0.57 0.00 0.00 43.02 39.95 1jir s PHE 82 CO -0.06 -0.18 -0.05 0.42 -0.10 0.00 0.00 175.22 175.25 1jir s ILE 83 N 1.75 0.58 0.42 0.64 1.01 -0.33 -4.99 121.20 120.27 1jir s ILE 83 Ca 0.07 -0.13 -0.24 0.00 0.00 0.00 0.00 60.65 60.35 1jir s ILE 83 Cb -0.16 -0.60 -0.08 0.00 0.01 0.00 0.00 42.46 41.62 1jir s ILE 83 CO 0.11 0.24 1.10 -0.44 0.00 0.00 0.00 174.94 175.95 1jir s SER 84 N 1.00 6.52 -0.15 3.58 0.01 -1.26 -0.47 113.70 122.93 1jir s SER 84 Ca -0.10 2.17 -0.28 0.00 1.31 0.00 0.00 55.95 59.05 1jir s SER 84 Cb -0.14 -2.59 -0.01 0.00 0.21 0.00 0.00 66.02 63.48 1jir s SER 84 CO -0.00 -0.66 0.95 0.00 0.41 0.00 0.00 173.24 173.94 1jir s ALA 85 N -1.59 3.49 0.03 1.44 0.00 -0.58 -0.42 121.76 124.13 1jir s ALA 85 Ca 0.60 0.23 0.10 0.00 0.00 0.00 0.00 51.96 52.88 1jir s ALA 85 Cb -0.25 -3.38 -0.14 0.00 0.00 0.00 0.00 23.12 19.35 1jir s ALA 85 CO 0.31 -0.69 1.28 0.66 0.00 0.00 0.00 175.76 177.33 1jir h SER 86 N 7.23 0.00 -3.70 0.00 4.64 -1.35 -3.45 113.55 116.91 1jir h SER 86 Ca -0.28 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.07 1jir h SER 86 Cb 1.13 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 62.98 1jir h SER 86 CO 0.87 0.86 0.39 -1.59 -0.87 0.00 0.00 176.83 176.49 1jir s LYS 87 N -2.78 0.63 -0.18 4.77 -2.85 -1.22 -5.02 119.74 113.10 1jir s LYS 87 Ca 0.01 0.54 -0.00 0.00 -1.00 0.00 0.00 55.97 55.52 1jir s LYS 87 Cb 0.09 0.30 0.00 0.00 -2.06 0.00 0.00 37.83 36.17 1jir s LYS 87 CO 0.80 -0.12 -0.15 -1.12 0.10 0.00 0.00 175.35 174.86 1jir s SER 88 N -0.16 3.60 -0.42 0.03 0.01 -1.26 -0.77 113.70 114.72 1jir s SER 88 Ca 0.00 -0.52 -0.09 0.00 1.31 0.00 0.00 55.95 56.66 1jir s SER 88 Cb -0.04 -1.57 0.08 0.00 0.21 0.00 0.00 66.02 64.71 1jir s SER 88 CO -0.02 0.04 0.25 -0.63 0.41 0.00 0.00 173.24 173.29 1jir s ILE 89 N 1.10 4.15 0.08 1.44 1.01 0.41 -4.95 121.20 124.44 1jir s ILE 89 Ca 0.00 -1.45 -0.24 0.00 0.00 0.00 0.00 60.65 58.96 1jir s ILE 89 Cb -0.14 -3.56 -0.06 0.00 0.01 0.00 0.00 42.46 38.70 1jir s ILE 89 CO -0.05 -0.52 0.74 -0.69 0.00 0.00 0.00 174.94 174.43 1jir s VAL 90 N 1.40 4.64 0.11 2.92 1.01 -1.26 0.05 120.40 129.27 1jir s VAL 90 Ca 0.03 1.59 -0.34 0.00 0.00 0.00 0.00 61.98 63.27 1jir s VAL 90 Cb -0.23 -4.09 -0.13 0.00 0.00 0.00 0.00 36.38 31.93 1jir s VAL 90 CO 0.02 0.43 1.66 1.57 0.00 0.00 0.00 175.10 178.78 1jir n HIS 91 N 2.35 2.32 0.26 5.22 -0.00 -0.89 -4.83 115.22 119.64 1jir n HIS 91 Ca -0.04 0.18 0.18 0.00 0.46 0.00 0.00 57.72 58.50 1jir n HIS 91 Cb 0.50 -2.58 0.89 0.00 -0.12 0.00 0.00 29.99 28.68 1jir n HIS 91 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1jir h PRO 92 N 6.77 0.00 -0.67 1.57 0.11 -1.93 -1.54 132.00 136.31 1jir h PRO 92 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1jir h PRO 92 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1jir h PRO 92 CO 0.91 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 179.13 1jir n SER 93 N -3.38 3.83 -4.71 -2.05 7.64 -1.26 -4.97 113.62 108.72 1jir n SER 93 Ca 0.00 -2.00 -0.43 0.00 1.01 0.00 0.00 58.87 57.46 1jir n SER 93 Cb 0.32 -0.44 -0.03 0.00 -1.01 0.00 0.00 64.21 63.05 1jir n SER 93 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jir n TYR 94 N 1.56 2.64 -4.08 1.43 9.36 -0.58 -4.75 117.16 122.74 1jir n TYR 94 Ca 0.23 0.16 -0.33 0.00 3.32 0.00 0.00 57.90 61.29 1jir n TYR 94 Cb 0.61 -2.61 -0.15 0.00 -0.63 0.00 0.00 39.34 36.55 1jir n TYR 94 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1jir s ASN 95 N 0.89 4.00 0.58 2.98 3.84 -0.94 -5.01 114.94 121.29 1jir s ASN 95 Ca 0.73 -1.10 0.35 0.00 0.21 0.00 0.00 52.86 53.05 1jir s ASN 95 Cb -0.55 -1.54 1.76 0.00 -0.55 0.00 0.00 41.25 40.37 1jir s ASN 95 CO 0.38 -0.12 2.15 0.77 -2.79 0.00 0.00 177.10 177.49 1jir h SER 96 N 7.85 0.00 0.70 -4.21 4.64 -1.93 0.51 113.55 121.12 1jir h SER 96 Ca -0.29 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 60.77 1jir h SER 96 Cb 1.08 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.15 1jir h SER 96 CO 0.53 0.04 -1.30 0.78 -0.87 0.00 0.00 176.83 176.01 1jir h ASN 97 N 0.00 0.19 0.00 4.97 2.35 -1.98 -3.37 115.58 117.73 1jir h ASN 97 Ca -0.00 -0.23 0.00 0.00 -0.55 0.00 0.00 56.30 55.52 1jir h ASN 97 Cb 0.28 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.59 1jir h ASN 97 CO 0.01 1.19 -1.60 0.35 -1.65 0.00 0.00 177.43 175.73 1jir n THR 98 N -3.36 0.00 -1.29 2.81 -2.24 -1.15 -5.00 114.28 104.05 1jir n THR 98 Ca -0.09 -0.30 -0.10 0.00 -2.27 0.00 0.00 64.05 61.29 1jir n THR 98 Cb 1.00 0.21 -0.04 0.00 -2.10 0.00 0.00 70.33 69.40 1jir n THR 98 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1jir n LEU 99 N -1.95 -0.71 -4.75 3.22 4.77 0.18 -5.00 117.00 112.76 1jir n LEU 99 Ca -0.02 0.25 -0.41 0.00 -0.03 0.00 0.00 56.01 55.80 1jir n LEU 99 Cb 0.35 -1.65 -0.04 0.00 -2.33 0.00 0.00 43.42 39.75 1jir n LEU 99 CO 0.28 -0.53 0.83 0.21 -1.33 0.00 0.00 177.39 176.85 1jir s ASN 100 N -2.87 7.19 -0.82 -1.43 3.04 -1.22 -3.18 114.94 115.64 1jir s ASN 100 Ca 0.00 2.27 -0.04 0.00 0.04 0.00 0.00 52.86 55.13 1jir s ASN 100 Cb 0.00 -2.62 0.00 0.00 -1.54 0.00 0.00 41.25 37.09 1jir s ASN 100 CO 0.00 -0.23 0.71 0.59 -3.04 0.00 0.00 177.10 175.13 1jir n ASN 101 N 1.57 -4.08 -4.05 -4.21 5.03 -1.26 -2.21 115.26 106.05 1jir n ASN 101 Ca 0.01 -0.35 -0.42 0.00 0.87 0.00 0.00 54.58 54.68 1jir n ASN 101 Cb 0.45 -3.34 0.00 0.00 -1.02 0.00 0.00 39.78 35.86 1jir n ASN 101 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1jir n ASP 102 N -1.57 4.33 -3.81 6.41 2.03 -1.19 -4.29 116.55 118.46 1jir n ASP 102 Ca -0.04 -2.88 -0.13 0.00 0.52 0.00 0.00 54.79 52.26 1jir n ASP 102 Cb 0.55 -1.68 -0.12 0.00 -0.72 0.00 0.00 41.12 39.15 1jir n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1jir s ILE 103 N 3.41 -0.00 -0.01 5.18 2.07 -1.26 -3.82 121.20 126.76 1jir s ILE 103 Ca 0.49 0.01 0.00 0.00 -1.41 0.00 0.00 60.65 59.74 1jir s ILE 103 Cb 0.10 -0.25 0.01 0.00 0.13 0.00 0.00 42.46 42.45 1jir s ILE 103 CO -0.02 0.00 -0.00 -0.32 -1.91 0.00 0.00 174.94 172.69 1jir s MET 104 N 0.16 0.09 -0.16 3.50 -2.45 0.60 -2.10 119.30 118.93 1jir s MET 104 Ca -0.01 0.02 -0.07 0.00 -1.25 0.00 0.00 55.69 54.38 1jir s MET 104 Cb -0.02 -0.17 -0.04 0.00 1.25 0.00 0.00 34.83 35.85 1jir s MET 104 CO -0.00 -0.03 0.09 -0.51 1.05 0.00 0.00 175.02 175.61 1jir s LEU 105 N 0.32 4.02 -0.16 4.11 1.43 0.11 -0.54 118.68 127.97 1jir s LEU 105 Ca -0.03 0.22 0.02 0.00 -1.03 0.00 0.00 54.13 53.30 1jir s LEU 105 Cb -0.05 -2.00 0.02 0.00 0.03 0.00 0.00 46.19 44.19 1jir s LEU 105 CO -0.01 0.26 -0.20 -0.63 0.23 0.00 0.00 176.35 175.99 1jir s ILE 106 N -0.11 2.01 -0.11 -0.59 1.01 0.74 0.16 121.20 124.31 1jir s ILE 106 Ca 0.08 -0.93 -0.15 0.00 0.00 0.00 0.00 60.65 59.65 1jir s ILE 106 Cb -0.12 -1.81 -0.05 0.00 0.01 0.00 0.00 42.46 40.50 1jir s ILE 106 CO 0.01 0.54 0.37 -0.75 0.00 0.00 0.00 174.94 175.10 1jir s LYS 107 N 1.10 4.18 0.39 2.79 2.20 0.05 -0.81 119.74 129.64 1jir s LYS 107 Ca -0.00 0.26 -0.20 0.00 -0.36 0.00 0.00 55.97 55.67 1jir s LYS 107 Cb -0.14 -3.38 -0.10 0.00 -1.51 0.00 0.00 37.83 32.70 1jir s LYS 107 CO -0.08 0.33 0.89 -0.51 -0.36 0.00 0.00 175.35 175.62 1jir s LEU 108 N 0.14 4.02 0.21 5.43 1.43 -0.17 -1.10 118.68 128.63 1jir s LEU 108 Ca 0.21 1.60 -0.08 0.00 -1.03 0.00 0.00 54.13 54.83 1jir s LEU 108 Cb -0.14 -4.36 0.15 0.00 0.03 0.00 0.00 46.19 41.87 1jir s LEU 108 CO 0.08 -0.29 1.76 0.50 0.23 0.00 0.00 176.35 178.63 1jir h LYS 109 N 2.15 1.18 -4.66 1.70 3.64 -1.05 -3.42 116.57 116.11 1jir h LYS 109 Ca -0.48 -0.23 -0.25 0.00 -1.27 0.00 0.00 60.65 58.41 1jir h LYS 109 Cb 1.18 -0.18 -0.18 0.00 -0.41 0.00 0.00 32.23 32.64 1jir h LYS 109 CO 0.63 0.97 -0.72 -1.54 -2.27 0.00 0.00 179.45 176.52 1jir s SER 110 N -6.38 1.07 0.32 4.20 1.04 -1.26 -4.98 113.70 107.71 1jir s SER 110 Ca -0.12 -0.81 -0.29 0.00 0.48 0.00 0.00 55.95 55.20 1jir s SER 110 Cb 0.15 0.06 -0.11 0.00 0.10 0.00 0.00 66.02 66.23 1jir s SER 110 CO 0.84 -0.34 1.45 0.00 0.98 0.00 0.00 173.24 176.17 1jir s ALA 111 N -2.65 3.60 0.50 5.32 0.00 -1.26 -4.88 121.76 122.40 1jir s ALA 111 Ca 0.03 1.44 -0.19 0.00 0.00 0.00 0.00 51.96 53.24 1jir s ALA 111 Cb -0.01 -3.57 -0.08 0.00 0.00 0.00 0.00 23.12 19.45 1jir s ALA 111 CO -0.02 -0.87 1.01 0.00 0.00 0.00 0.00 175.76 175.88 1jir s ALA 112 N -0.62 2.92 -0.46 0.00 0.00 0.63 -5.01 121.76 119.22 1jir s ALA 112 Ca 0.56 0.43 -0.21 0.00 0.00 0.00 0.00 51.96 52.74 1jir s ALA 112 Cb -0.44 -3.20 0.03 0.00 0.00 0.00 0.00 23.12 19.51 1jir s ALA 112 CO 0.53 -0.32 0.69 0.45 0.00 0.00 0.00 175.76 177.11 1jir s SER 113 N -2.42 6.32 0.08 0.00 0.15 -1.26 -4.87 113.70 111.70 1jir s SER 113 Ca 0.64 -0.40 -0.28 0.00 0.70 0.00 0.00 55.95 56.60 1jir s SER 113 Cb -0.13 -2.34 -0.05 0.00 -1.71 0.00 0.00 66.02 61.78 1jir s SER 113 CO 0.25 -0.87 0.89 -0.76 1.20 0.00 0.00 173.24 173.94 1jir s LEU 114 N 2.98 4.47 0.00 3.45 1.43 -1.26 -4.75 118.68 125.00 1jir s LEU 114 Ca 0.23 1.65 0.00 0.00 -1.03 0.00 0.00 54.13 54.98 1jir s LEU 114 Cb -0.14 -3.45 0.00 0.00 0.03 0.00 0.00 46.19 42.63 1jir s LEU 114 CO 0.18 -0.05 0.00 -0.46 0.23 0.00 0.00 176.35 176.26 1jir n ASN 115 N 2.87 0.00 -0.03 2.29 0.23 0.14 -4.98 115.26 115.78 1jir n ASN 115 Ca 0.01 0.00 -0.08 0.00 -0.53 0.00 0.00 54.58 53.98 1jir n ASN 115 Cb 0.50 0.00 0.08 0.00 -2.08 0.00 0.00 39.78 38.28 1jir n ASN 115 CO 0.00 0.00 0.00 -1.28 -0.93 0.00 0.00 177.26 175.05 1jir h SER 116 N 0.00 0.68 0.83 0.53 0.87 -2.00 -3.25 113.55 111.20 1jir h SER 116 Ca 0.00 -0.30 -0.10 0.00 -1.23 0.00 0.00 61.79 60.17 1jir h SER 116 Cb 0.00 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.75 1jir h SER 116 CO 0.00 0.99 -1.24 0.54 -0.53 0.00 0.00 176.83 176.59 1jir n ARG 117 N -4.04 0.61 -3.95 2.24 5.12 -1.26 -4.80 116.66 110.58 1jir n ARG 117 Ca -0.02 0.18 -0.29 0.00 -1.93 0.00 0.00 57.85 55.80 1jir n ARG 117 Cb 0.51 -1.82 -0.16 0.00 -1.16 0.00 0.00 32.46 29.83 1jir n ARG 117 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1jir s VAL 118 N -3.11 1.36 0.03 1.55 1.01 -1.23 -4.32 120.40 115.69 1jir s VAL 118 Ca -0.02 -0.72 -0.14 0.00 0.00 0.00 0.00 61.98 61.10 1jir s VAL 118 Cb 0.09 -1.44 0.02 0.00 0.00 0.00 0.00 36.38 35.05 1jir s VAL 118 CO 0.80 0.22 0.31 0.00 0.00 0.00 0.00 175.10 176.44 1jir s ALA 119 N 1.54 -0.72 0.52 5.51 0.00 -0.87 0.25 121.76 127.99 1jir s ALA 119 Ca 0.01 0.08 -0.09 0.00 0.00 0.00 0.00 51.96 51.97 1jir s ALA 119 Cb -0.15 0.28 -0.05 0.00 0.00 0.00 0.00 23.12 23.21 1jir s ALA 119 CO -0.08 -0.39 0.88 -1.54 0.00 0.00 0.00 175.76 174.63 1jir s SER 120 N -1.93 6.32 0.00 0.00 1.04 -1.26 -2.74 113.70 115.14 1jir s SER 120 Ca -0.06 1.18 0.02 0.00 0.48 0.00 0.00 55.95 57.57 1jir s SER 120 Cb -0.02 -2.36 -0.04 0.00 0.10 0.00 0.00 66.02 63.71 1jir s SER 120 CO -0.02 -0.65 -0.02 -0.51 0.98 0.00 0.00 173.24 173.02 1jir s ILE 121 N -2.82 3.99 0.30 -1.02 1.10 0.19 -4.86 121.20 118.08 1jir s ILE 121 Ca 0.52 -0.67 -0.27 0.00 -0.51 0.00 0.00 60.65 59.71 1jir s ILE 121 Cb -0.10 -2.77 -0.10 0.00 0.15 0.00 0.00 42.46 39.64 1jir s ILE 121 CO 0.45 0.37 0.97 -0.44 -2.11 0.00 0.00 174.94 174.18 1jir s SER 122 N -1.54 7.36 0.39 4.50 0.01 -1.26 -4.55 113.70 118.60 1jir s SER 122 Ca 0.19 1.93 -0.23 0.00 1.31 0.00 0.00 55.95 59.15 1jir s SER 122 Cb -0.11 -2.59 -0.10 0.00 0.21 0.00 0.00 66.02 63.42 1jir s SER 122 CO 0.10 -0.06 0.98 -0.76 0.41 0.00 0.00 173.24 173.90 1jir s LEU 123 N -1.82 4.13 0.57 2.44 1.43 -1.26 -1.45 118.68 122.72 1jir s LEU 123 Ca 0.48 1.84 -0.19 0.00 -1.03 0.00 0.00 54.13 55.23 1jir s LEU 123 Cb -0.22 -4.27 -0.05 0.00 0.03 0.00 0.00 46.19 41.68 1jir s LEU 123 CO 0.28 -0.31 1.13 -2.16 0.23 0.00 0.00 176.35 175.52 1jir s PRO 124 N -2.61 3.24 0.00 1.29 0.04 -1.26 -4.82 135.00 130.88 1jir s PRO 124 Ca 0.57 1.59 0.18 0.00 0.04 0.00 0.00 61.00 63.37 1jir s PRO 124 Cb -0.16 -1.99 -0.12 0.00 0.04 0.00 0.00 34.50 32.27 1jir s PRO 124 CO 0.21 -0.93 0.82 0.25 0.04 0.00 0.00 177.00 177.39 1jir n THR 125 N -1.50 0.00 -3.50 1.26 -2.24 -1.26 -4.96 114.28 102.08 1jir n THR 125 Ca 0.11 -0.17 -0.13 0.00 -2.27 0.00 0.00 64.05 61.59 1jir n THR 125 Cb 0.51 1.08 -0.04 0.00 -2.10 0.00 0.00 70.33 69.78 1jir n THR 125 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1jir s SER 127 N -2.46 -0.53 0.22 3.42 1.04 -1.26 -5.15 113.70 108.99 1jir s SER 127 Ca 0.10 0.34 -0.30 0.00 0.48 0.00 0.00 55.95 56.57 1jir s SER 127 Cb 0.14 0.48 -0.09 0.00 0.10 0.00 0.00 66.02 66.65 1jir s SER 127 CO 0.63 -0.65 1.20 0.00 0.98 0.00 0.00 173.24 175.40 1jir s ALA 129 N -0.39 2.84 0.39 0.00 0.00 -1.26 -5.04 121.76 118.30 1jir s ALA 129 Ca 0.51 0.68 -0.01 0.00 0.00 0.00 0.00 51.96 53.14 1jir s ALA 129 Cb -0.34 -3.29 -0.03 0.00 0.00 0.00 0.00 23.12 19.46 1jir s ALA 129 CO 0.40 -0.43 0.62 -1.54 0.00 0.00 0.00 175.76 174.80 1jir s SER 130 N -1.88 6.29 0.75 0.00 1.04 -1.26 -5.04 113.70 113.61 1jir s SER 130 Ca 0.68 0.60 -0.15 0.00 0.48 0.00 0.00 55.95 57.56 1jir s SER 130 Cb -0.19 -2.10 0.01 0.00 0.10 0.00 0.00 66.02 63.84 1jir s SER 130 CO 0.23 -0.38 0.86 0.00 0.98 0.00 0.00 173.24 174.92 1jir n ALA 132 N -1.90 -0.71 0.00 5.32 0.00 -1.26 -2.68 120.51 119.28 1jir n ALA 132 Ca -0.03 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.15 1jir n ALA 132 Cb 0.56 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.96 1jir n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jir n GLY 133 N 1.17 3.13 3.74 0.00 0.00 0.04 -4.96 105.19 108.31 1jir n GLY 133 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1jir n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jir s THR 134 N -1.81 2.36 0.03 2.61 2.01 -1.09 -4.66 115.64 115.09 1jir s THR 134 Ca 0.00 0.29 -0.25 0.00 0.31 0.00 0.00 61.69 62.04 1jir s THR 134 Cb 0.00 -3.19 -0.05 0.00 0.01 0.00 0.00 72.50 69.27 1jir s THR 134 CO 0.00 0.04 0.79 -1.58 -0.69 0.00 0.00 174.62 173.18 1jir s GLN 135 N 0.04 4.51 0.14 4.92 2.00 -1.26 -1.44 119.66 128.57 1jir s GLN 135 Ca 0.65 1.09 0.06 0.00 -2.00 0.00 0.00 55.36 55.16 1jir s GLN 135 Cb -0.45 -3.38 -0.04 0.00 0.80 0.00 0.00 33.01 29.93 1jir s GLN 135 CO 0.41 0.22 -0.13 0.00 -0.50 0.00 0.00 175.29 175.30 1jir s LEU 137 N -2.86 3.70 -0.07 0.00 2.96 0.12 -0.63 118.68 121.90 1jir s LEU 137 Ca 0.14 -0.41 -0.01 0.00 -0.22 0.00 0.00 54.13 53.64 1jir s LEU 137 Cb -0.01 -1.93 -0.03 0.00 0.50 0.00 0.00 46.19 44.71 1jir s LEU 137 CO 0.03 -0.11 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.30 1jir s ILE 138 N 1.59 4.15 0.06 6.68 1.01 0.19 -1.38 121.20 133.49 1jir s ILE 138 Ca 0.05 -0.37 -0.11 0.00 0.00 0.00 0.00 60.65 60.23 1jir s ILE 138 Cb -0.16 -2.75 0.01 0.00 0.01 0.00 0.00 42.46 39.57 1jir s ILE 138 CO 0.04 0.56 0.24 -0.94 0.00 0.00 0.00 174.94 174.84 1jir s SER 139 N -0.99 -0.01 0.00 3.58 1.04 -1.24 0.20 113.70 116.28 1jir s SER 139 Ca 0.14 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.19 1jir s SER 139 Cb -0.11 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.34 1jir s SER 139 CO 0.04 -0.64 0.00 0.61 0.98 0.00 0.00 173.24 174.22 1jir n GLY 140 N 0.39 0.07 1.53 7.32 0.00 -0.62 -4.51 105.19 109.36 1jir n GLY 140 Ca -0.18 -1.09 -0.02 0.00 0.00 0.00 0.00 46.02 44.73 1jir n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1jir n TRP 141 N -0.55 1.78 -1.49 1.61 8.01 -1.26 -1.98 117.44 123.56 1jir n TRP 141 Ca 0.00 -1.23 -0.30 0.00 -1.31 0.00 0.00 57.50 54.66 1jir n TRP 141 Cb 0.00 -0.56 0.20 0.00 -2.01 0.00 0.00 31.31 28.94 1jir n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1jir s GLY 142 N -1.63 1.66 0.32 6.99 0.00 -1.26 -4.35 107.32 109.04 1jir s GLY 142 Ca 0.49 -0.96 -0.27 0.00 0.00 0.00 0.00 44.72 43.98 1jir s GLY 142 CO 0.09 -0.18 1.01 -2.01 0.00 0.00 0.00 173.10 172.00 1jir n ASN 143 N -4.20 1.28 -0.52 1.64 5.15 0.19 -2.94 115.26 115.86 1jir n ASN 143 Ca 0.13 1.15 0.09 0.00 -0.60 0.00 0.00 54.58 55.34 1jir n ASN 143 Cb 0.59 -1.30 0.03 0.00 -0.53 0.00 0.00 39.78 38.57 1jir n ASN 143 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1jir n THR 144 N 0.07 0.00 -4.45 -0.44 -2.24 -0.77 -0.96 114.28 105.50 1jir n THR 144 Ca 0.09 -0.39 -0.33 0.00 -2.27 0.00 0.00 64.05 61.15 1jir n THR 144 Cb 0.34 1.27 -0.10 0.00 -2.10 0.00 0.00 70.33 69.74 1jir n THR 144 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1jir s LYS 145 N -1.80 2.72 -0.04 -0.78 -0.14 -1.26 -4.34 119.74 114.10 1jir s LYS 145 Ca 0.17 -0.60 -0.24 0.00 -1.36 0.00 0.00 55.97 53.93 1jir s LYS 145 Cb 0.14 -2.61 -0.23 0.00 -1.68 0.00 0.00 37.83 33.46 1jir s LYS 145 CO 0.35 0.64 1.06 0.77 -0.76 0.00 0.00 175.35 177.41 1jir h SER 146 N 4.75 0.21 0.00 2.83 0.02 -1.94 -3.41 113.55 116.00 1jir h SER 146 Ca -0.49 -0.73 -0.13 0.00 -0.84 0.00 0.00 61.79 59.60 1jir h SER 146 Cb 1.17 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.63 1jir h SER 146 CO 0.54 0.91 -1.22 -1.20 -1.14 0.00 0.00 176.83 174.73 1jir n SER 147 N -4.54 1.90 -2.92 3.07 7.64 -1.26 -4.58 113.62 112.92 1jir n SER 147 Ca -0.09 0.43 0.00 0.00 1.01 0.00 0.00 58.87 60.22 1jir n SER 147 Cb 0.47 -0.83 0.00 0.00 -1.01 0.00 0.00 64.21 62.84 1jir n SER 147 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jir n GLY 148 N 1.46 -0.21 2.82 0.23 0.00 -1.26 -5.10 105.19 103.13 1jir n GLY 148 Ca -0.23 -1.60 -0.22 0.00 0.00 0.00 0.00 46.02 43.97 1jir n GLY 148 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jir s THR 149 N 0.06 0.45 -0.28 2.61 2.01 -1.26 -4.61 115.64 114.62 1jir s THR 149 Ca 0.00 0.02 0.01 0.00 0.31 0.00 0.00 61.69 62.03 1jir s THR 149 Cb 0.00 -0.56 0.17 0.00 0.01 0.00 0.00 72.50 72.12 1jir s THR 149 CO 0.00 0.25 0.48 -0.55 -0.69 0.00 0.00 174.62 174.11 1jir s SER 150 N 1.58 -0.49 -0.11 3.53 0.15 -1.26 -4.99 113.70 112.10 1jir s SER 150 Ca -0.01 0.17 -0.16 0.00 0.70 0.00 0.00 55.95 56.65 1jir s SER 150 Cb -0.13 1.55 -0.05 0.00 -1.71 0.00 0.00 66.02 65.68 1jir s SER 150 CO -0.04 -0.31 0.39 -0.31 1.20 0.00 0.00 173.24 174.18 1jir s TYR 151 N 2.68 3.53 0.56 3.44 2.02 -1.26 -1.85 117.35 126.46 1jir s TYR 151 Ca 0.13 0.79 -0.12 0.00 -0.37 0.00 0.00 57.07 57.51 1jir s TYR 151 Cb -0.13 -2.42 -0.05 0.00 -0.40 0.00 0.00 41.96 38.95 1jir s TYR 151 CO -0.24 0.28 0.97 -1.25 -1.57 0.00 0.00 175.55 173.74 1jir s PRO 152 N 0.27 3.70 -0.09 -1.71 0.04 -1.26 -5.02 135.00 130.93 1jir s PRO 152 Ca 0.22 0.71 -0.13 0.00 0.04 0.00 0.00 61.00 61.84 1jir s PRO 152 Cb -0.15 -2.16 -0.28 0.00 0.04 0.00 0.00 34.50 31.96 1jir s PRO 152 CO 0.08 -0.40 0.57 -0.44 0.04 0.00 0.00 177.00 176.85 1jir h ASP 153 N 0.20 0.46 -2.46 6.66 5.19 -1.94 -3.47 116.42 121.07 1jir h ASP 153 Ca -0.45 -0.89 -0.52 0.00 -0.62 0.00 0.00 57.03 54.55 1jir h ASP 153 Cb 1.19 -0.15 -0.02 0.00 0.18 0.00 0.00 39.33 40.53 1jir h ASP 153 CO 0.62 1.70 -0.46 0.68 -3.12 0.00 0.00 179.24 178.65 1jir s VAL 154 N -2.52 5.24 0.19 -1.35 -7.23 -1.26 -0.67 120.40 112.81 1jir s VAL 154 Ca -0.19 -0.81 -0.32 0.00 -1.81 0.00 0.00 61.98 58.86 1jir s VAL 154 Cb 0.05 -3.74 -0.11 0.00 0.56 0.00 0.00 36.38 33.14 1jir s VAL 154 CO 0.79 -0.16 1.62 -0.22 -0.31 0.00 0.00 175.10 176.82 1jir s LEU 155 N -3.44 4.37 0.09 1.32 2.96 -1.12 -4.85 118.68 118.00 1jir s LEU 155 Ca 0.34 2.73 0.03 0.00 -0.22 0.00 0.00 54.13 57.01 1jir s LEU 155 Cb -0.10 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 42.95 1jir s LEU 155 CO 0.28 -0.88 0.12 -0.54 -1.32 0.00 0.00 176.35 174.02 1jir s LYS 156 N 0.97 3.02 0.19 1.98 -0.14 -0.84 -2.36 119.74 122.57 1jir s LYS 156 Ca 0.71 -0.66 0.08 0.00 -1.36 0.00 0.00 55.97 54.74 1jir s LYS 156 Cb -0.46 -2.79 -0.04 0.00 -1.68 0.00 0.00 37.83 32.85 1jir s LYS 156 CO 0.33 0.56 -0.16 0.00 -0.76 0.00 0.00 175.35 175.33 1jir s LEU 158 N -3.04 -0.25 -0.26 0.00 2.96 0.13 -1.49 118.68 116.72 1jir s LEU 158 Ca 0.19 1.01 -0.12 0.00 -0.22 0.00 0.00 54.13 55.00 1jir s LEU 158 Cb -0.03 1.55 -0.05 0.00 0.50 0.00 0.00 46.19 48.16 1jir s LEU 158 CO 0.07 -0.20 0.23 -0.54 -1.32 0.00 0.00 176.35 174.59 1jir s LYS 159 N 1.43 4.00 -0.01 1.98 1.02 -1.26 0.53 119.74 127.44 1jir s LYS 159 Ca -0.10 -0.21 -0.05 0.00 0.02 0.00 0.00 55.97 55.64 1jir s LYS 159 Cb -0.08 -3.62 -0.00 0.00 -0.52 0.00 0.00 37.83 33.61 1jir s LYS 159 CO -0.14 -0.14 0.10 0.00 -0.92 0.00 0.00 175.35 174.25 1jir s ALA 160 N 1.64 -0.23 0.18 5.17 0.00 0.20 -4.94 121.76 123.77 1jir s ALA 160 Ca 0.09 -0.10 -0.09 0.00 0.00 0.00 0.00 51.96 51.86 1jir s ALA 160 Cb -0.15 0.04 -0.07 0.00 0.00 0.00 0.00 23.12 22.94 1jir s ALA 160 CO 0.09 -0.16 0.48 -1.25 0.00 0.00 0.00 175.76 174.93 1jir s PRO 161 N -1.02 3.76 0.07 0.00 0.04 -1.26 -0.14 135.00 136.45 1jir s PRO 161 Ca -0.11 0.18 -0.31 0.00 0.04 0.00 0.00 61.00 60.81 1jir s PRO 161 Cb -0.06 -2.77 -0.06 0.00 0.04 0.00 0.00 34.50 31.65 1jir s PRO 161 CO 0.01 0.40 1.20 0.42 0.04 0.00 0.00 177.00 179.07 1jir s ILE 162 N -1.69 4.00 0.44 0.56 1.01 -0.52 -1.40 121.20 123.60 1jir s ILE 162 Ca 0.43 1.45 -0.03 0.00 0.00 0.00 0.00 60.65 62.50 1jir s ILE 162 Cb -0.12 -3.93 -0.03 0.00 0.01 0.00 0.00 42.46 38.39 1jir s ILE 162 CO 0.22 0.12 0.71 -0.76 0.00 0.00 0.00 174.94 175.22 1jir s LEU 163 N 0.97 3.75 0.65 2.97 1.43 -0.21 -0.78 118.68 127.46 1jir s LEU 163 Ca 0.58 0.75 -0.15 0.00 -1.03 0.00 0.00 54.13 54.28 1jir s LEU 163 Cb -0.30 -3.68 -0.00 0.00 0.03 0.00 0.00 46.19 42.25 1jir s LEU 163 CO 0.30 -0.50 1.12 -0.94 0.23 0.00 0.00 176.35 176.56 1jir s SER 164 N -4.09 5.08 0.45 2.29 1.04 -1.26 -4.63 113.70 112.57 1jir s SER 164 Ca 0.45 2.05 0.19 0.00 0.48 0.00 0.00 55.95 59.12 1jir s SER 164 Cb -0.10 -2.56 1.07 0.00 0.10 0.00 0.00 66.02 64.53 1jir s SER 164 CO 0.42 -1.65 1.96 0.44 0.98 0.00 0.00 173.24 175.38 1jir h ASP 165 N 0.11 0.00 -0.39 7.02 3.32 -1.97 -2.07 116.42 122.44 1jir h ASP 165 Ca -0.47 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.49 1jir h ASP 165 Cb 1.25 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.79 1jir h ASP 165 CO 0.54 0.22 -0.12 0.77 -1.72 0.00 0.00 179.24 178.93 1jir h SER 166 N 0.00 0.78 -0.37 6.45 4.64 -1.99 0.03 113.55 123.09 1jir h SER 166 Ca -0.00 -0.38 -0.15 0.00 -0.47 0.00 0.00 61.79 60.79 1jir h SER 166 Cb 0.46 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 1jir h SER 166 CO 0.03 0.98 -0.32 0.28 -0.87 0.00 0.00 176.83 176.92 1jir h SER 167 N 0.57 0.95 0.18 4.97 0.02 -1.89 -1.93 113.55 116.42 1jir h SER 167 Ca 0.09 -0.40 -0.01 0.00 -0.84 0.00 0.00 61.79 60.63 1jir h SER 167 Cb 0.65 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.93 1jir h SER 167 CO 0.04 1.19 -0.08 0.00 -1.14 0.00 0.00 176.83 176.83 1jir h LYS 169 N -0.33 0.00 -0.02 0.00 1.57 -1.00 -1.84 116.57 114.96 1jir h LYS 169 Ca -0.02 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.58 1jir h LYS 169 Cb 0.26 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1jir h LYS 169 CO 0.04 0.15 -0.79 0.77 -0.57 0.00 0.00 179.45 179.06 1jir h SER 170 N 0.00 0.22 0.23 0.86 0.02 -1.06 -2.29 113.55 111.53 1jir h SER 170 Ca -0.00 -0.16 -0.23 0.00 -0.84 0.00 0.00 61.79 60.55 1jir h SER 170 Cb 0.41 -0.07 0.01 0.00 0.14 0.00 0.00 62.40 62.88 1jir h SER 170 CO 0.02 0.92 -0.94 0.00 -1.14 0.00 0.00 176.83 175.69 1jir h ALA 171 N 1.07 0.33 -2.55 3.77 0.00 -0.64 -3.38 119.26 117.84 1jir h ALA 171 Ca -0.03 -0.69 -0.60 0.00 0.00 0.00 0.00 54.91 53.59 1jir h ALA 171 Cb 1.38 -0.00 -0.40 0.00 0.00 0.00 0.00 17.79 18.76 1jir h ALA 171 CO 0.12 0.78 -0.77 0.66 0.00 0.00 0.00 179.25 180.03 1jir n TYR 172 N -3.79 1.60 -1.68 0.00 4.01 -0.75 -4.95 117.16 111.61 1jir n TYR 172 Ca -0.08 -3.89 -0.48 0.00 -0.16 0.00 0.00 57.90 53.30 1jir n TYR 172 Cb 0.83 -0.31 -0.05 0.00 -0.31 0.00 0.00 39.34 39.50 1jir n TYR 172 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1jir n PRO 173 N 1.93 2.17 -1.33 -0.72 -0.02 -0.86 -2.35 135.00 133.81 1jir n PRO 173 Ca 0.25 0.79 -0.11 0.00 -2.02 0.00 0.00 63.50 62.41 1jir n PRO 173 Cb 0.42 -2.62 -0.05 0.00 -0.02 0.00 0.00 33.50 31.23 1jir n PRO 173 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jir n GLY 174 N 4.18 1.20 0.00 -1.23 0.00 -1.26 -4.84 105.19 103.24 1jir n GLY 174 Ca 0.21 -0.28 0.01 0.00 0.00 0.00 0.00 46.02 45.96 1jir n GLY 174 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1jir n GLN 175 N -2.11 5.22 -3.47 1.61 6.02 -0.99 -5.00 117.38 118.66 1jir n GLN 175 Ca -0.11 -0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.50 1jir n GLN 175 Cb 0.44 -0.68 -0.08 0.00 1.02 0.00 0.00 30.24 30.95 1jir n GLN 175 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1jir s ILE 176 N -1.36 5.25 0.48 5.09 -1.09 -1.25 -5.04 121.20 123.29 1jir s ILE 176 Ca 0.01 0.57 0.07 0.00 -2.23 0.00 0.00 60.65 59.07 1jir s ILE 176 Cb 0.02 -3.66 0.01 0.00 -1.58 0.00 0.00 42.46 37.24 1jir s ILE 176 CO 0.09 0.30 0.42 0.42 -1.23 0.00 0.00 174.94 174.93 1jir s THR 177 N 1.10 2.19 -0.36 2.92 -4.23 -1.26 -5.00 115.64 111.00 1jir s THR 177 Ca 0.16 -1.38 0.21 0.00 -1.18 0.00 0.00 61.69 59.50 1jir s THR 177 Cb -0.14 -2.57 0.22 0.00 1.34 0.00 0.00 72.50 71.34 1jir s THR 177 CO 0.06 0.00 1.65 -1.54 -0.54 0.00 0.00 174.62 174.25 1jir n SER 178 N -1.69 0.57 -1.38 3.99 3.41 -1.26 -1.89 113.62 115.37 1jir n SER 178 Ca 0.03 0.71 0.08 0.00 -0.26 0.00 0.00 58.87 59.42 1jir n SER 178 Cb 0.63 -0.80 0.30 0.00 -0.26 0.00 0.00 64.21 64.08 1jir n SER 178 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1jir n ASN 179 N -2.20 4.07 -4.20 4.04 3.02 -1.26 -4.89 115.26 113.84 1jir n ASN 179 Ca 0.00 -2.39 -0.13 0.00 -0.03 0.00 0.00 54.58 52.04 1jir n ASN 179 Cb 0.11 -0.53 -0.10 0.00 -0.61 0.00 0.00 39.78 38.65 1jir n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1jir s MET 180 N -1.83 0.91 0.03 3.52 -1.94 -0.79 -0.49 119.30 118.71 1jir s MET 180 Ca 0.42 -1.33 -0.18 0.00 -1.71 0.00 0.00 55.69 52.90 1jir s MET 180 Cb 0.28 -0.43 0.03 0.00 2.01 0.00 0.00 34.83 36.72 1jir s MET 180 CO 0.20 0.04 0.39 -0.59 -0.01 0.00 0.00 175.02 175.05 1jir s PHE 181 N -3.21 -0.25 0.08 -0.03 -0.12 -0.59 -4.77 117.98 109.09 1jir s PHE 181 Ca 0.12 0.24 0.01 0.00 -0.05 0.00 0.00 56.93 57.25 1jir s PHE 181 Cb 0.02 0.19 -0.04 0.00 -0.63 0.00 0.00 43.02 42.56 1jir s PHE 181 CO -0.02 -0.53 0.22 0.00 -0.05 0.00 0.00 175.22 174.84 1jir s ALA 183 N -1.56 -1.11 0.00 0.00 0.00 -0.85 -1.04 121.76 117.20 1jir s ALA 183 Ca 0.34 0.91 0.00 0.00 0.00 0.00 0.00 51.96 53.21 1jir s ALA 183 Cb -0.12 -0.28 0.00 0.00 0.00 0.00 0.00 23.12 22.71 1jir s ALA 183 CO 0.28 -0.26 0.00 0.41 0.00 0.00 0.00 175.76 176.18 1jir n GLY 184 N 1.86 0.65 3.07 0.00 0.00 -0.49 -2.48 105.19 107.80 1jir n GLY 184 Ca -0.18 -1.87 -0.26 0.00 0.00 0.00 0.00 46.02 43.72 1jir n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jir s TYR 184 N -2.25 1.67 -0.34 1.61 1.51 -1.26 -4.40 117.35 113.88 1jir s TYR 184 Ca 0.00 -0.61 0.27 0.00 -1.01 0.00 0.00 57.07 55.72 1jir s TYR 184 Cb 0.00 -1.18 0.76 0.00 -0.11 0.00 0.00 41.96 41.43 1jir s TYR 184 CO 0.00 -0.28 1.75 -0.07 -1.11 0.00 0.00 175.55 175.84 1jir h LEU 185 N 6.80 0.00 -0.76 -1.29 3.38 -1.94 -2.93 115.31 118.57 1jir h LEU 185 Ca -0.29 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 1jir h LEU 185 Cb 1.19 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.94 1jir h LEU 185 CO 0.47 0.00 -0.01 -0.33 0.09 0.00 0.00 178.44 178.67 1jir h GLU 186 N 0.00 0.00 0.00 1.13 3.07 -1.95 -0.56 114.58 116.27 1jir h GLU 186 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1jir h GLU 186 Cb 0.77 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.68 1jir h GLU 186 CO 0.00 0.01 0.00 0.41 -1.40 0.00 0.00 179.01 178.03 1jir n GLY 187 N 0.55 -0.63 0.51 -3.84 0.00 -1.11 -4.42 105.19 96.25 1jir n GLY 187 Ca 0.02 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.30 1jir n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jir n GLY 188 N -0.65 3.28 2.79 -0.02 0.00 -0.37 -4.95 105.19 105.27 1jir n GLY 188 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 1jir n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jir s LYS 188 N -0.60 0.32 -0.07 1.61 1.02 -1.26 -3.51 119.74 117.27 1jir s LYS 188 Ca 0.00 0.12 -0.32 0.00 0.02 0.00 0.00 55.97 55.79 1jir s LYS 188 Cb 0.00 -0.59 0.13 0.00 -0.52 0.00 0.00 37.83 36.85 1jir s LYS 188 CO 0.00 -0.19 1.32 0.34 -0.92 0.00 0.00 175.35 175.90 1jir s ASP 189 N 1.34 -0.05 0.52 2.83 2.15 -0.70 -4.17 116.67 118.59 1jir s ASP 189 Ca -0.05 -0.09 -0.03 0.00 0.43 0.00 0.00 52.55 52.81 1jir s ASP 189 Cb -0.13 0.12 -0.00 0.00 -0.30 0.00 0.00 42.92 42.60 1jir s ASP 189 CO -0.02 -0.22 0.79 -0.94 -0.17 0.00 0.00 175.17 174.61 1jir s SER 190 N -2.85 5.78 0.00 -0.34 1.04 -1.26 -0.31 113.70 115.76 1jir s SER 190 Ca 0.14 0.58 0.00 0.00 0.48 0.00 0.00 55.95 57.14 1jir s SER 190 Cb 0.05 -1.72 0.00 0.00 0.10 0.00 0.00 66.02 64.45 1jir s SER 190 CO -0.05 -0.85 0.00 0.00 0.98 0.00 0.00 173.24 173.32 1jir n GLN 192 N 0.00 2.01 0.00 0.00 6.02 -1.26 -1.00 117.38 123.15 1jir n GLN 192 Ca 0.00 0.72 0.00 0.00 -0.01 0.00 0.00 57.00 57.71 1jir n GLN 192 Cb 0.00 -2.45 0.00 0.00 1.02 0.00 0.00 30.24 28.81 1jir n GLN 192 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1jir n GLY 193 N 2.98 2.76 0.13 1.08 0.00 -1.26 0.54 105.19 111.42 1jir n GLY 193 Ca 0.16 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.30 1jir n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1jir h ASP 194 N 0.25 0.00 -1.54 1.61 3.32 -1.39 -3.34 116.42 115.33 1jir h ASP 194 Ca 0.00 -0.06 -0.67 0.00 0.02 0.00 0.00 57.03 56.32 1jir h ASP 194 Cb 0.00 0.00 0.09 0.00 0.22 0.00 0.00 39.33 39.64 1jir h ASP 194 CO 0.00 0.03 -0.05 -1.20 -1.72 0.00 0.00 179.24 176.30 1jir n SER 195 N -2.56 0.25 0.00 6.45 7.64 -1.25 -0.90 113.62 123.25 1jir n SER 195 Ca 0.03 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.06 1jir n SER 195 Cb 0.49 -1.09 0.00 0.00 -1.01 0.00 0.00 64.21 62.60 1jir n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jir n GLY 196 N 1.80 1.81 3.83 0.23 0.00 0.35 -0.13 105.19 113.08 1jir n GLY 196 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 1jir n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jir s GLY 197 N -1.92 1.64 0.46 -0.02 0.00 -0.07 -3.09 107.32 104.31 1jir s GLY 197 Ca 0.00 -0.15 -0.20 0.00 0.00 0.00 0.00 44.72 44.37 1jir s GLY 197 CO 0.00 0.22 0.97 2.56 0.00 0.00 0.00 173.10 176.85 1jir s PRO 198 N -5.17 4.11 -0.27 2.90 0.04 -1.26 -0.88 135.00 134.47 1jir s PRO 198 Ca 0.59 1.10 0.00 0.00 0.04 0.00 0.00 61.00 62.73 1jir s PRO 198 Cb -0.13 -2.16 0.08 0.00 0.04 0.00 0.00 34.50 32.33 1jir s PRO 198 CO 0.54 -0.14 0.03 0.08 0.04 0.00 0.00 177.00 177.55 1jir s VAL 199 N -2.29 1.24 -0.20 -0.36 1.01 -0.74 -3.60 120.40 115.46 1jir s VAL 199 Ca 0.62 -1.33 -0.05 0.00 0.00 0.00 0.00 61.98 61.22 1jir s VAL 199 Cb -0.10 -1.75 -0.02 0.00 0.00 0.00 0.00 36.38 34.51 1jir s VAL 199 CO 0.19 -0.39 -0.01 -0.69 0.00 0.00 0.00 175.10 174.19 1jir s VAL 200 N 1.48 3.78 -0.11 2.92 1.01 -0.48 -1.38 120.40 127.63 1jir s VAL 200 Ca 0.03 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 61.64 1jir s VAL 200 Cb -0.18 -2.71 0.02 0.00 0.00 0.00 0.00 36.38 33.51 1jir s VAL 200 CO -0.14 0.43 -0.10 0.00 0.00 0.00 0.00 175.10 175.29 1jir n SER 202 N 4.59 -4.73 -0.21 0.00 7.64 -1.26 -2.02 113.62 117.63 1jir n SER 202 Ca -0.16 -0.62 -0.03 0.00 1.01 0.00 0.00 58.87 59.08 1jir n SER 202 Cb 0.50 -4.82 -0.01 0.00 -1.01 0.00 0.00 64.21 58.88 1jir n SER 202 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jir n GLY 203 N -1.72 0.50 3.25 0.23 0.00 -1.26 -5.01 105.19 101.18 1jir n GLY 203 Ca -0.08 -0.16 -0.25 0.00 0.00 0.00 0.00 46.02 45.54 1jir n GLY 203 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jir s LYS 204 N -1.47 1.32 -0.67 1.61 3.01 -0.86 -4.08 119.74 118.61 1jir s LYS 204 Ca 0.00 -0.96 -0.27 0.00 -1.01 0.00 0.00 55.97 53.74 1jir s LYS 204 Cb 0.00 -1.45 0.04 0.00 -1.01 0.00 0.00 37.83 35.41 1jir s LYS 204 CO 0.00 0.37 1.20 -1.17 0.51 0.00 0.00 175.35 176.25 1jir s LEU 209 N -1.27 3.44 -0.12 3.17 2.96 -0.53 -1.30 118.68 125.03 1jir s LEU 209 Ca 0.07 -0.35 0.18 0.00 -0.22 0.00 0.00 54.13 53.81 1jir s LEU 209 Cb -0.09 -2.73 -0.25 0.00 0.50 0.00 0.00 46.19 43.62 1jir s LEU 209 CO 0.02 -1.66 0.30 0.00 -1.32 0.00 0.00 176.35 173.69 1jir n GLN 210 N 8.81 0.67 -4.11 1.98 1.13 -0.48 -4.12 117.38 121.25 1jir n GLN 210 Ca 0.04 0.01 -0.10 0.00 -1.94 0.00 0.00 57.00 55.00 1jir n GLN 210 Cb 0.48 -1.58 -0.09 0.00 0.11 0.00 0.00 30.24 29.17 1jir n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1jir s GLY 211 N -5.17 0.98 -0.06 1.08 0.00 -1.01 -1.67 107.32 101.47 1jir s GLY 211 Ca -0.08 -1.37 0.02 0.00 0.00 0.00 0.00 44.72 43.29 1jir s GLY 211 CO 0.84 -1.20 -0.08 -0.42 0.00 0.00 0.00 173.10 172.24 1jir s ILE 212 N -4.06 0.85 -0.14 0.90 1.01 -1.09 -1.80 121.20 116.87 1jir s ILE 212 Ca 0.27 -0.30 -0.31 0.00 0.00 0.00 0.00 60.65 60.31 1jir s ILE 212 Cb 0.06 -0.82 -0.08 0.00 0.01 0.00 0.00 42.46 41.63 1jir s ILE 212 CO 0.05 0.30 2.09 0.52 0.00 0.00 0.00 174.94 177.90 1jir n VAL 213 N 3.98 0.49 0.00 2.92 0.31 -0.06 -0.94 118.33 125.03 1jir n VAL 213 Ca -0.23 -0.28 0.00 0.00 -0.01 0.00 0.00 64.34 63.81 1jir n VAL 213 Cb 0.51 -2.26 0.00 0.00 -0.91 0.00 0.00 33.84 31.18 1jir n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1jir n SER 214 N 9.42 0.00 -1.39 4.52 2.88 -1.08 -0.50 113.62 127.47 1jir n SER 214 Ca 0.27 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.79 1jir n SER 214 Cb 0.38 -0.16 -0.00 0.00 -0.75 0.00 0.00 64.21 63.68 1jir n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1jir n TRP 215 N -2.23 -0.76 0.00 0.66 4.27 -0.84 -4.91 117.44 113.64 1jir n TRP 215 Ca 0.00 -0.45 0.00 0.00 -3.89 0.00 0.00 57.50 53.16 1jir n TRP 215 Cb 0.00 0.12 0.00 0.00 -1.36 0.00 0.00 31.31 30.07 1jir n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1jir n GLY 216 N -0.11 0.28 3.26 -1.67 0.00 -1.26 -0.26 105.19 105.43 1jir n GLY 216 Ca -0.00 -1.05 -0.44 0.00 0.00 0.00 0.00 46.02 44.53 1jir n GLY 216 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1jir s SER 217 N 0.00 6.04 0.08 1.61 0.15 -1.26 -4.96 113.70 115.36 1jir s SER 217 Ca 0.00 -2.06 0.00 0.00 0.70 0.00 0.00 55.95 54.59 1jir s SER 217 Cb 0.00 -2.11 0.00 0.00 -1.71 0.00 0.00 66.02 62.20 1jir s SER 217 CO 0.00 -0.72 0.00 0.61 1.20 0.00 0.00 173.24 174.33 1jir n GLY 219 N 4.79 -0.54 2.97 9.45 0.00 -1.26 -4.72 105.19 115.89 1jir n GLY 219 Ca -0.06 -1.12 -0.13 0.00 0.00 0.00 0.00 46.02 44.71 1jir n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jir n ALA 221 N 4.46 -0.67 -2.26 0.00 0.00 -1.26 -4.63 120.51 116.15 1jir n ALA 221 Ca -0.22 0.15 -0.36 0.00 0.00 0.00 0.00 53.44 53.01 1jir n ALA 221 Cb 0.52 -1.90 -0.06 0.00 0.00 0.00 0.00 19.45 18.01 1jir n ALA 221 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1jir s GLN 221 N -4.98 4.09 0.36 0.00 2.00 -1.26 -1.23 119.66 118.65 1jir s GLN 221 Ca 0.00 0.65 -0.28 0.00 -2.00 0.00 0.00 55.36 53.73 1jir s GLN 221 Cb 0.00 -2.94 -0.10 0.00 0.80 0.00 0.00 33.01 30.77 1jir s GLN 221 CO 0.00 0.46 1.33 -1.59 -0.50 0.00 0.00 175.29 175.00 1jir s LYS 222 N -1.89 4.19 -0.75 1.67 -2.85 -1.26 -2.68 119.74 116.18 1jir s LYS 222 Ca 0.39 2.26 0.00 0.00 -1.00 0.00 0.00 55.97 57.61 1jir s LYS 222 Cb -0.16 -2.96 0.00 0.00 -2.06 0.00 0.00 37.83 32.65 1jir s LYS 222 CO 0.20 -0.34 0.00 0.09 0.10 0.00 0.00 175.35 175.40 1jir n ASN 223 N 0.53 -4.84 -3.41 0.03 5.03 -0.22 -4.91 115.26 107.47 1jir n ASN 223 Ca 0.01 0.18 -0.26 0.00 0.87 0.00 0.00 54.58 55.38 1jir n ASN 223 Cb 0.42 -2.97 -0.09 0.00 -1.02 0.00 0.00 39.78 36.12 1jir n ASN 223 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1jir n LYS 224 N -1.47 0.81 -1.41 3.52 4.76 -1.09 -4.76 118.16 118.52 1jir n LYS 224 Ca -0.07 -3.53 -0.29 0.00 -2.87 0.00 0.00 58.31 51.55 1jir n LYS 224 Cb 0.40 -1.69 0.16 0.00 -1.84 0.00 0.00 35.03 32.06 1jir n LYS 224 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1jir s PRO 225 N -0.77 0.64 0.36 1.97 0.04 -1.26 -4.37 135.00 131.60 1jir s PRO 225 Ca 0.33 0.27 -0.25 0.00 0.04 0.00 0.00 61.00 61.39 1jir s PRO 225 Cb 0.08 -1.78 -0.10 0.00 0.04 0.00 0.00 34.50 32.74 1jir s PRO 225 CO -0.15 -2.53 0.98 0.20 0.04 0.00 0.00 177.00 175.53 1jir s GLY 226 N -3.90 2.73 -0.12 0.56 0.00 -1.03 -4.61 107.32 100.95 1jir s GLY 226 Ca 0.66 0.56 -0.02 0.00 0.00 0.00 0.00 44.72 45.92 1jir s GLY 226 CO 0.55 0.98 -0.02 0.14 0.00 0.00 0.00 173.10 174.75 1jir s VAL 227 N -1.70 4.08 0.12 1.40 1.01 0.64 -2.02 120.40 123.93 1jir s VAL 227 Ca 0.54 -0.32 0.06 0.00 0.00 0.00 0.00 61.98 62.26 1jir s VAL 227 Cb -0.18 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 1jir s VAL 227 CO 0.24 0.55 -0.15 -0.31 0.00 0.00 0.00 175.10 175.43 1jir s TYR 228 N -0.32 1.45 0.02 5.22 2.02 0.64 -1.98 117.35 124.40 1jir s TYR 228 Ca 0.06 -0.52 -0.30 0.00 -0.37 0.00 0.00 57.07 55.93 1jir s TYR 228 Cb -0.12 -0.76 -0.05 0.00 -0.40 0.00 0.00 41.96 40.62 1jir s TYR 228 CO 0.02 0.16 1.22 0.99 -1.57 0.00 0.00 175.55 176.37 1jir s THR 229 N -1.94 4.06 -1.07 -0.71 2.01 -0.11 -1.55 115.64 116.33 1jir s THR 229 Ca 0.08 1.45 -0.22 0.00 0.31 0.00 0.00 61.69 63.31 1jir s THR 229 Cb -0.06 -3.93 0.02 0.00 0.01 0.00 0.00 72.50 68.54 1jir s THR 229 CO 0.03 0.06 1.66 -0.75 -0.69 0.00 0.00 174.62 174.93 1jir s LYS 230 N 1.57 3.36 0.46 4.92 2.20 0.35 -2.68 119.74 129.93 1jir s LYS 230 Ca 0.58 -1.13 0.20 0.00 -0.36 0.00 0.00 55.97 55.26 1jir s LYS 230 Cb -0.28 -5.32 1.19 0.00 -1.51 0.00 0.00 37.83 31.91 1jir s LYS 230 CO 0.27 -2.62 1.93 0.28 -0.36 0.00 0.00 175.35 174.84 1jir h VAL 231 N 6.59 0.74 0.00 4.02 2.07 -1.62 -1.89 116.25 126.15 1jir h VAL 231 Ca 0.23 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.66 1jir h VAL 231 Cb 0.97 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1jir h VAL 231 CO 1.37 0.05 0.00 0.00 0.02 0.00 0.00 177.57 179.01 1jir n ASN 233 N -2.89 0.38 -0.06 0.00 4.13 -0.71 -3.99 115.26 112.12 1jir n ASN 233 Ca -0.02 -0.33 0.01 0.00 1.68 0.00 0.00 54.58 55.92 1jir n ASN 233 Cb 0.11 -0.11 0.01 0.00 -1.54 0.00 0.00 39.78 38.26 1jir n ASN 233 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1jir n TYR 234 N -1.14 0.03 -0.20 3.10 4.01 -0.21 -4.78 117.16 117.97 1jir n TYR 234 Ca 0.12 -0.34 -0.01 0.00 -0.16 0.00 0.00 57.90 57.51 1jir n TYR 234 Cb 0.30 -0.03 0.10 0.00 -0.31 0.00 0.00 39.34 39.39 1jir n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1jir h VAL 235 N 0.20 0.79 -0.37 -0.72 2.07 -1.67 0.52 116.25 117.08 1jir h VAL 235 Ca 0.00 -0.14 -0.03 0.00 0.82 0.00 0.00 66.70 67.35 1jir h VAL 235 Cb 0.37 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 1jir h VAL 235 CO 0.00 0.08 0.11 0.28 0.02 0.00 0.00 177.57 178.06 1jir h SER 236 N 0.42 0.54 -0.30 0.57 0.02 -1.89 -1.74 113.55 111.17 1jir h SER 236 Ca 0.29 -0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 1jir h SER 236 Cb 0.35 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 1jir h SER 236 CO -0.29 0.60 0.16 -0.25 -1.14 0.00 0.00 176.83 175.91 1jir h TRP 237 N 0.44 0.41 -0.24 3.45 7.01 -1.77 0.25 115.95 125.49 1jir h TRP 237 Ca 0.12 -0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.12 1jir h TRP 237 Cb 0.26 -0.13 -0.02 0.00 -2.10 0.00 0.00 29.16 27.17 1jir h TRP 237 CO 0.01 0.35 0.11 0.82 -2.79 0.00 0.00 178.44 176.93 1jir h ILE 238 N 0.36 0.97 -0.68 2.65 2.04 -0.82 0.71 117.51 122.74 1jir h ILE 238 Ca 0.10 -0.08 -0.08 0.00 1.00 0.00 0.00 64.86 65.81 1jir h ILE 238 Cb 0.07 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 1jir h ILE 238 CO -0.02 0.04 0.12 0.11 0.00 0.00 0.00 178.15 178.41 1jir h LYS 239 N 0.23 1.11 -0.31 2.37 1.57 -1.16 -1.66 116.57 118.73 1jir h LYS 239 Ca 0.10 -0.29 -0.16 0.00 -1.87 0.00 0.00 60.65 58.43 1jir h LYS 239 Cb 0.04 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 1jir h LYS 239 CO -0.08 1.01 -0.44 1.96 -0.57 0.00 0.00 179.45 181.33 1jir h GLN 240 N 1.04 0.79 -0.20 3.15 4.20 -0.65 -2.36 115.11 121.08 1jir h GLN 240 Ca 0.21 -0.43 -0.04 0.00 0.06 0.00 0.00 58.65 58.44 1jir h GLN 240 Cb 0.43 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 1jir h GLN 240 CO 0.01 1.06 -0.03 1.15 -0.67 0.00 0.00 178.83 180.36 1jir h THR 241 N 0.63 1.27 -0.93 -0.54 2.02 -0.75 -2.87 112.91 111.74 1jir h THR 241 Ca 0.04 -0.96 0.01 0.00 0.77 0.00 0.00 66.41 66.27 1jir h THR 241 Cb 1.01 1.51 -0.05 0.00 -1.74 0.00 0.00 68.15 68.88 1jir h THR 241 CO 0.10 0.29 0.60 0.40 0.37 0.00 0.00 175.52 177.28 1jir h ILE 242 N 0.10 1.24 0.00 3.11 2.04 -1.34 -2.68 117.51 119.99 1jir h ILE 242 Ca 0.05 -0.46 -0.03 0.00 1.00 0.00 0.00 64.86 65.42 1jir h ILE 242 Cb 0.45 -0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 36.41 1jir h ILE 242 CO 0.02 0.24 -0.16 0.00 0.00 0.00 0.00 178.15 178.25 1jir h ALA 243 N 1.33 1.15 -0.54 1.87 0.00 -1.34 -2.81 119.26 118.92 1jir h ALA 243 Ca 0.34 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1jir h ALA 243 Cb -0.13 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1jir h ALA 243 CO -0.07 0.20 0.00 -1.13 0.00 0.00 0.00 179.25 178.25 1jir n SER 244 N -3.50 3.53 0.00 0.00 3.41 -1.03 -5.10 113.62 110.92 1jir n SER 244 Ca -0.01 -1.98 0.00 0.00 -0.26 0.00 0.00 58.87 56.62 1jir n SER 244 Cb 0.32 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 1jir n SER 244 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47