#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jnc n HIS 46 N 1.13 -0.64 -3.71 0.00 -0.00 -1.26 -4.21 115.22 106.53 2jnc n HIS 46 Ca -0.13 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 57.97 2jnc n HIS 46 Cb 0.53 0.00 -0.02 0.00 -0.12 0.00 0.00 29.99 30.38 2jnc n HIS 46 CO 0.00 0.00 0.00 -0.98 0.46 0.00 0.00 176.34 175.82 2jnc s ARG 47 N -0.47 1.56 -1.53 1.57 1.70 -1.26 -3.60 118.95 116.91 2jnc s ARG 47 Ca 0.00 -0.79 -0.05 0.00 -0.47 0.00 0.00 55.73 54.42 2jnc s ARG 47 Cb 0.00 0.58 0.04 0.00 -0.57 0.00 0.00 34.95 35.00 2jnc s ARG 47 CO 0.00 -0.71 0.37 -2.37 -1.08 0.00 0.00 175.30 171.51 2jnc n THR 48 N -0.43 -1.90 -3.64 4.99 5.66 -1.26 -4.92 114.28 112.78 2jnc n THR 48 Ca -0.08 -0.38 -0.08 0.00 -3.05 0.00 0.00 64.05 60.46 2jnc n THR 48 Cb 0.61 -1.86 -0.07 0.00 -1.55 0.00 0.00 70.33 67.46 2jnc n THR 48 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 2jnc s THR 49 N -3.93 0.00 0.37 1.09 -1.32 -1.26 -2.68 115.64 107.91 2jnc s THR 49 Ca 0.18 0.00 0.05 0.00 -1.21 0.00 0.00 61.69 60.72 2jnc s THR 49 Cb -0.10 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.87 2jnc s THR 49 CO 0.94 0.00 0.20 0.00 -2.21 0.00 0.00 174.62 173.55 2jnc n ILE 50 N 3.89 0.00 -0.37 5.08 0.13 0.47 -4.72 119.36 123.84 2jnc n ILE 50 Ca -0.18 -2.36 -0.00 0.00 -1.10 0.00 0.00 62.75 59.11 2jnc n ILE 50 Cb 0.58 0.98 0.05 0.00 -0.84 0.00 0.00 39.64 40.42 2jnc n ILE 50 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 2jnc n GLY 51 N -0.71 -1.93 2.55 4.50 0.00 -1.26 -2.94 105.19 105.39 2jnc n GLY 51 Ca -0.00 1.07 -0.13 0.00 0.00 0.00 0.00 46.02 46.96 2jnc n GLY 51 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2jnc n ASN 52 N -5.44 1.68 -3.61 1.61 5.15 -1.26 -5.08 115.26 108.31 2jnc n ASN 52 Ca 0.11 -2.90 -0.06 0.00 -0.60 0.00 0.00 54.58 51.13 2jnc n ASN 52 Cb 0.40 -0.54 -0.05 0.00 -0.53 0.00 0.00 39.78 39.06 2jnc n ASN 52 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 2jnc s PHE 53 N -3.01 -0.20 -0.77 1.20 5.36 -1.15 -5.05 117.98 114.36 2jnc s PHE 53 Ca 0.32 0.34 -0.02 0.00 -0.96 0.00 0.00 56.93 56.61 2jnc s PHE 53 Cb 0.42 0.47 0.27 0.00 -0.34 0.00 0.00 43.02 43.85 2jnc s PHE 53 CO -0.01 -0.18 2.21 -1.13 -1.46 0.00 0.00 175.22 174.65 2jnc n SER 54 N 0.67 7.28 0.00 6.13 3.41 -1.26 0.18 113.62 130.02 2jnc n SER 54 Ca -0.05 -3.67 0.00 0.00 -0.26 0.00 0.00 58.87 54.89 2jnc n SER 54 Cb 0.58 -1.12 0.00 0.00 -0.26 0.00 0.00 64.21 63.41 2jnc n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jnc n GLY 55 N -0.13 1.73 3.73 5.00 0.00 -1.09 -4.29 105.19 110.13 2jnc n GLY 55 Ca 0.53 -0.10 -0.29 0.00 0.00 0.00 0.00 46.02 46.16 2jnc n GLY 55 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2jnc s PRO 56 N -0.01 0.28 0.36 1.61 0.04 -1.26 -4.93 135.00 131.09 2jnc s PRO 56 Ca 0.00 0.14 0.04 0.00 0.04 0.00 0.00 61.00 61.22 2jnc s PRO 56 Cb 0.00 -1.75 -0.04 0.00 0.04 0.00 0.00 34.50 32.75 2jnc s PRO 56 CO 0.00 -2.75 0.12 -0.47 0.04 0.00 0.00 177.00 173.94 2jnc s TYR 57 N -3.22 1.77 0.00 0.56 5.04 -1.26 -4.93 117.35 115.31 2jnc s TYR 57 Ca 0.67 -1.23 0.00 0.00 -2.44 0.00 0.00 57.07 54.07 2jnc s TYR 57 Cb -0.13 -1.11 0.00 0.00 0.35 0.00 0.00 41.96 41.08 2jnc s TYR 57 CO 0.55 -0.28 0.00 2.41 -1.34 0.00 0.00 175.55 176.88 2jnc n THR 58 N -0.77 0.00 -3.31 4.34 -1.04 -1.06 -4.75 114.28 107.68 2jnc n THR 58 Ca -0.03 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.60 2jnc n THR 58 Cb 0.65 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 69.10 2jnc n THR 58 CO 0.00 0.00 0.00 -0.72 -0.64 0.00 0.00 175.07 173.71 2jnc s TYR 59 N 0.00 3.76 -0.14 -1.42 -0.85 -1.26 -2.19 117.35 115.25 2jnc s TYR 59 Ca 0.00 1.21 -0.29 0.00 -0.52 0.00 0.00 57.07 57.47 2jnc s TYR 59 Cb 0.00 -2.46 -0.01 0.00 0.38 0.00 0.00 41.96 39.87 2jnc s TYR 59 CO 0.00 0.56 1.14 0.00 -1.52 0.00 0.00 175.55 175.73 2jnc s ASN 61 N 1.46 6.60 -0.52 0.00 2.47 -1.26 -2.78 114.94 120.90 2jnc s ASN 61 Ca 0.51 1.24 -0.29 0.00 0.42 0.00 0.00 52.86 54.74 2jnc s ASN 61 Cb -0.20 -2.36 -0.10 0.00 -1.45 0.00 0.00 41.25 37.13 2jnc s ASN 61 CO 0.15 -0.38 2.41 0.41 -3.72 0.00 0.00 177.10 175.97 2jnc n THR 62 N -1.12 0.03 -4.48 -5.21 -1.04 -1.18 -4.58 114.28 96.69 2jnc n THR 62 Ca 0.03 -0.54 -0.25 0.00 -2.04 0.00 0.00 64.05 61.26 2jnc n THR 62 Cb 0.54 -2.20 -0.08 0.00 -1.82 0.00 0.00 70.33 66.77 2jnc n THR 62 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 2jnc s THR 63 N 10.42 0.42 0.18 12.58 -1.32 0.17 -4.49 115.64 133.60 2jnc s THR 63 Ca 1.07 -2.00 0.10 0.00 -1.21 0.00 0.00 61.69 59.65 2jnc s THR 63 Cb -0.49 -2.32 -0.04 0.00 -1.51 0.00 0.00 72.50 68.13 2jnc s THR 63 CO 0.35 0.00 -0.15 -0.22 -2.21 0.00 0.00 174.62 172.39 2jnc s LEU 64 N -3.58 2.79 0.00 9.08 1.98 -1.24 0.13 118.68 127.83 2jnc s LEU 64 Ca 0.25 -0.67 0.00 0.00 -2.89 0.00 0.00 54.13 50.82 2jnc s LEU 64 Cb 0.02 -1.49 0.00 0.00 0.66 0.00 0.00 46.19 45.37 2jnc s LEU 64 CO 0.17 0.11 0.00 -0.67 -1.89 0.00 0.00 176.35 174.07 2jnc n ASP 65 N 0.14 0.86 -0.34 3.68 2.03 -1.22 -4.97 116.55 116.74 2jnc n ASP 65 Ca -0.11 -0.63 0.15 0.00 0.52 0.00 0.00 54.79 54.71 2jnc n ASP 65 Cb 0.55 0.00 0.35 0.00 -0.72 0.00 0.00 41.12 41.30 2jnc n ASP 65 CO 0.00 0.00 0.00 -0.61 -1.92 0.00 0.00 177.20 174.67 2jnc h GLN 66 N 0.00 0.57 -6.42 -0.67 4.15 -2.01 -3.41 115.11 107.32 2jnc h GLN 66 Ca 0.00 -0.03 -0.54 0.00 0.77 0.00 0.00 58.65 58.85 2jnc h GLN 66 Cb 0.00 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 27.53 2jnc h GLN 66 CO 0.00 0.38 -0.13 0.42 -1.93 0.00 0.00 178.83 177.56 2jnc s ILE 67 N -5.82 4.95 -0.51 2.39 -1.09 -1.26 -4.95 121.20 114.91 2jnc s ILE 67 Ca -0.11 0.42 -0.09 0.00 -2.23 0.00 0.00 60.65 58.65 2jnc s ILE 67 Cb 0.26 -3.62 -0.08 0.00 -1.58 0.00 0.00 42.46 37.44 2jnc s ILE 67 CO 0.79 -0.07 1.67 0.61 -1.23 0.00 0.00 174.94 176.72 2jnc n GLY 68 N -0.14 2.32 3.15 6.18 0.00 -1.26 -4.79 105.19 110.65 2jnc n GLY 68 Ca 0.00 -0.64 -0.20 0.00 0.00 0.00 0.00 46.02 45.18 2jnc n GLY 68 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2jnc s THR 69 N 4.49 1.13 -0.27 2.61 -1.32 -1.26 -5.02 115.64 115.99 2jnc s THR 69 Ca 0.32 -1.02 -0.09 0.00 -1.21 0.00 0.00 61.69 59.69 2jnc s THR 69 Cb 0.08 -1.03 -0.03 0.00 -1.51 0.00 0.00 72.50 70.01 2jnc s THR 69 CO 0.03 0.00 0.13 0.00 -2.21 0.00 0.00 174.62 172.58 2jnc s TRP 71 N 1.66 3.38 0.03 0.00 0.52 0.34 -4.87 118.94 120.00 2jnc s TRP 71 Ca 0.06 -1.48 -0.01 0.00 0.02 0.00 0.00 56.10 54.70 2jnc s TRP 71 Cb -0.16 -3.87 0.01 0.00 -1.15 0.00 0.00 33.47 28.30 2jnc s TRP 71 CO 0.07 -1.08 0.03 -0.35 0.02 0.00 0.00 176.95 175.64 2jnc n PRO 72 N 5.07 -0.60 -1.52 4.98 -0.04 -1.26 -0.66 135.00 140.97 2jnc n PRO 72 Ca -0.02 -0.05 -0.41 0.00 -0.04 0.00 0.00 63.50 62.98 2jnc n PRO 72 Cb 0.43 -0.04 -0.07 0.00 -0.04 0.00 0.00 33.50 33.78 2jnc n PRO 72 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2jnc n GLN 73 N -1.37 0.81 -0.00 0.54 -0.06 -1.19 -4.42 117.38 111.69 2jnc n GLN 73 Ca 0.00 0.08 0.08 0.00 -2.00 0.00 0.00 57.00 55.16 2jnc n GLN 73 Cb 0.02 -2.73 -0.10 0.00 -4.06 0.00 0.00 30.24 23.37 2jnc n GLN 73 CO 0.00 0.00 0.00 0.43 -0.20 0.00 0.00 177.06 177.29 2jnc n SER 74 N 13.11 0.82 -0.39 1.69 7.64 -1.12 -4.96 113.62 130.41 2jnc n SER 74 Ca 0.45 -0.76 0.03 0.00 1.01 0.00 0.00 58.87 59.61 2jnc n SER 74 Cb 0.34 1.11 -0.02 0.00 -1.01 0.00 0.00 64.21 64.63 2jnc n SER 74 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jnc n ALA 75 N -1.48 -0.97 -1.79 -0.43 0.00 -1.26 -4.54 120.51 110.04 2jnc n ALA 75 Ca 0.02 0.22 -0.42 0.00 0.00 0.00 0.00 53.44 53.26 2jnc n ALA 75 Cb 0.28 -0.52 -0.03 0.00 0.00 0.00 0.00 19.45 19.18 2jnc n ALA 75 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2jnc s PRO 76 N -3.64 3.03 0.00 0.00 0.04 -0.93 -4.04 135.00 129.47 2jnc s PRO 76 Ca 0.00 1.59 0.00 0.00 0.04 0.00 0.00 61.00 62.63 2jnc s PRO 76 Cb 0.00 -4.33 0.00 0.00 0.04 0.00 0.00 34.50 30.21 2jnc s PRO 76 CO 0.00 -2.22 0.00 0.41 0.04 0.00 0.00 177.00 175.23 2jnc n GLY 77 N 5.66 -1.31 3.59 0.56 0.00 -1.14 -4.45 105.19 108.11 2jnc n GLY 77 Ca 0.27 -0.30 -0.15 0.00 0.00 0.00 0.00 46.02 45.84 2jnc n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jnc s ALA 78 N -0.37 -1.80 -0.12 4.61 0.00 -1.01 -4.92 121.76 118.15 2jnc s ALA 78 Ca 0.00 1.75 -0.06 0.00 0.00 0.00 0.00 51.96 53.65 2jnc s ALA 78 Cb 0.00 -0.78 -0.04 0.00 0.00 0.00 0.00 23.12 22.30 2jnc s ALA 78 CO 0.00 -0.34 0.11 -1.17 0.00 0.00 0.00 175.76 174.36 2jnc s LEU 79 N -0.24 4.22 -0.02 0.00 0.20 -1.26 0.16 118.68 121.74 2jnc s LEU 79 Ca -0.04 0.38 0.02 0.00 0.69 0.00 0.00 54.13 55.19 2jnc s LEU 79 Cb -0.03 -2.03 0.00 0.00 -0.43 0.00 0.00 46.19 43.71 2jnc s LEU 79 CO 0.03 0.38 -0.08 -0.69 -0.29 0.00 0.00 176.35 175.70 2jnc s VAL 80 N -0.85 0.72 1.01 1.68 1.01 0.46 -4.94 120.40 119.49 2jnc s VAL 80 Ca 0.14 -0.34 -0.13 0.00 0.00 0.00 0.00 61.98 61.64 2jnc s VAL 80 Cb -0.12 -0.64 0.20 0.00 0.00 0.00 0.00 36.38 35.82 2jnc s VAL 80 CO 0.03 0.22 1.11 -0.70 0.00 0.00 0.00 175.10 175.76 2jnc s GLU 81 N 0.12 0.30 0.00 2.72 -6.30 -1.26 0.16 118.70 114.44 2jnc s GLU 81 Ca -0.02 0.36 0.00 0.00 -2.50 0.00 0.00 54.97 52.81 2jnc s GLU 81 Cb -0.07 -1.74 0.00 0.00 0.00 0.00 0.00 34.13 32.32 2jnc s GLU 81 CO 0.00 -2.78 0.00 -2.13 0.02 0.00 0.00 175.26 170.37 2jnc n ARG 82 N -4.18 0.00 -0.64 4.30 0.00 -1.25 -4.68 116.66 110.20 2jnc n ARG 82 Ca 0.06 0.00 -0.30 0.00 -0.00 0.00 0.00 57.85 57.61 2jnc n ARG 82 Cb 0.58 0.00 0.27 0.00 0.00 0.00 0.00 32.46 33.31 2jnc n ARG 82 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 2jnc s PRO 83 N -0.04 -2.12 0.41 -0.14 0.04 -1.26 -0.78 135.00 131.10 2jnc s PRO 83 Ca 0.00 0.14 -0.16 0.00 0.04 0.00 0.00 61.00 61.03 2jnc s PRO 83 Cb 0.00 -1.47 -0.09 0.00 0.04 0.00 0.00 34.50 32.98 2jnc s PRO 83 CO 0.00 -4.35 0.84 0.00 0.04 0.00 0.00 177.00 173.54 2jnc n PRO 85 N -0.89 2.31 0.00 0.00 -0.04 -1.26 -4.20 135.00 130.92 2jnc n PRO 85 Ca 0.05 0.84 0.00 0.00 -0.04 0.00 0.00 63.50 64.34 2jnc n PRO 85 Cb 0.54 -2.64 0.00 0.00 -0.04 0.00 0.00 33.50 31.36 2jnc n PRO 85 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2jnc n GLU 86 N 4.01 0.00 -3.56 0.54 0.00 -1.26 -3.55 120.64 116.82 2jnc n GLU 86 Ca 0.17 0.32 -0.27 0.00 0.00 0.00 0.00 57.16 57.38 2jnc n GLU 86 Cb 0.31 -1.21 -0.10 0.00 0.00 0.00 0.00 31.44 30.43 2jnc n GLU 86 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.13 178.11 2jnc n TYR 87 N -1.46 1.01 -2.13 4.31 4.19 -1.26 -2.15 117.16 119.67 2jnc n TYR 87 Ca 0.00 -3.76 0.02 0.00 3.31 0.00 0.00 57.90 57.47 2jnc n TYR 87 Cb 0.00 -0.19 0.02 0.00 0.49 0.00 0.00 39.34 39.67 2jnc n TYR 87 CO 0.00 0.00 0.00 1.19 0.91 0.00 0.00 176.86 178.96 2jnc n PHE 88 N 2.21 0.00 -2.69 2.98 3.72 -1.26 -4.88 117.46 117.53 2jnc n PHE 88 Ca 0.25 -0.30 -0.07 0.00 -0.05 0.00 0.00 57.45 57.29 2jnc n PHE 88 Cb 0.43 -0.10 0.11 0.00 -0.94 0.00 0.00 39.48 38.98 2jnc n PHE 88 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 2jnc n ASN 89 N 0.07 -1.41 0.00 4.37 5.15 -1.26 -5.02 115.26 117.15 2jnc n ASN 89 Ca 0.04 -2.45 0.00 0.00 -0.60 0.00 0.00 54.58 51.56 2jnc n ASN 89 Cb 0.87 0.78 0.00 0.00 -0.53 0.00 0.00 39.78 40.90 2jnc n ASN 89 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2jnc n GLY 90 N -0.65 1.12 3.72 8.20 0.00 -1.26 -4.85 105.19 111.48 2jnc n GLY 90 Ca -0.03 -0.01 -0.23 0.00 0.00 0.00 0.00 46.02 45.75 2jnc n GLY 90 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2jnc s ILE 91 N 0.00 3.56 -1.07 -0.61 2.07 -1.26 -5.05 121.20 118.84 2jnc s ILE 91 Ca 0.00 -1.72 -0.22 0.00 -1.41 0.00 0.00 60.65 57.30 2jnc s ILE 91 Cb 0.00 -3.02 0.03 0.00 0.13 0.00 0.00 42.46 39.60 2jnc s ILE 91 CO 0.00 -0.31 1.64 -0.54 -1.91 0.00 0.00 174.94 173.82 2jnc s LYS 92 N -3.77 3.41 0.41 3.50 1.02 -1.26 -4.48 119.74 118.57 2jnc s LYS 92 Ca 0.34 -1.17 -0.26 0.00 0.02 0.00 0.00 55.97 54.90 2jnc s LYS 92 Cb -0.06 -5.34 -0.10 0.00 -0.52 0.00 0.00 37.83 31.81 2jnc s LYS 92 CO 0.22 -2.57 1.24 0.66 -0.92 0.00 0.00 175.35 173.98 2jnc n TYR 93 N 10.12 2.01 -1.55 3.18 4.02 -0.91 -1.57 117.16 132.47 2jnc n TYR 93 Ca 0.39 0.52 -0.33 0.00 -0.01 0.00 0.00 57.90 58.47 2jnc n TYR 93 Cb 0.49 -2.36 -0.05 0.00 -0.02 0.00 0.00 39.34 37.39 2jnc n TYR 93 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2jnc n ASN 94 N 0.31 1.94 -0.13 7.72 2.85 0.18 -4.52 115.26 123.61 2jnc n ASN 94 Ca 0.07 -0.60 -0.05 0.00 -0.11 0.00 0.00 54.58 53.88 2jnc n ASN 94 Cb 0.39 -1.51 0.01 0.00 1.24 0.00 0.00 39.78 39.91 2jnc n ASN 94 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 2jnc h THR 95 N 7.72 0.35 -0.12 -0.44 1.35 -1.81 -3.30 112.91 116.66 2jnc h THR 95 Ca -0.18 0.00 -0.47 0.00 -0.55 0.00 0.00 66.41 65.22 2jnc h THR 95 Cb 1.23 0.35 0.05 0.00 -1.73 0.00 0.00 68.15 68.04 2jnc h THR 95 CO 1.17 0.00 1.44 1.07 -0.25 0.00 0.00 175.52 178.95 2jnc n THR 96 N -5.40 1.12 -2.72 6.82 5.66 -1.26 0.15 114.28 118.66 2jnc n THR 96 Ca 0.03 -1.05 0.00 0.00 -3.05 0.00 0.00 64.05 59.97 2jnc n THR 96 Cb 0.31 -2.16 0.00 0.00 -1.55 0.00 0.00 70.33 66.93 2jnc n THR 96 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 2jnc n ARG 97 N 7.72 0.00 -4.09 1.09 3.00 -1.24 -4.93 116.66 118.21 2jnc n ARG 97 Ca 0.47 0.00 -0.29 0.00 -0.00 0.00 0.00 57.85 58.02 2jnc n ARG 97 Cb 0.43 0.00 -0.07 0.00 0.00 0.00 0.00 32.46 32.82 2jnc n ARG 97 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 2jnc s ASN 98 N 1.18 5.34 -0.37 6.15 0.01 -1.26 -4.24 114.94 121.74 2jnc s ASN 98 Ca 0.00 -0.10 0.07 0.00 -0.71 0.00 0.00 52.86 52.12 2jnc s ASN 98 Cb 0.00 -1.37 0.30 0.00 0.41 0.00 0.00 41.25 40.59 2jnc s ASN 98 CO 0.00 0.15 1.27 0.00 -1.51 0.00 0.00 177.10 177.01 2jnc n ALA 99 N 0.31 0.29 -1.54 0.60 0.00 0.04 -4.23 120.51 115.98 2jnc n ALA 99 Ca -0.09 -1.03 -0.43 0.00 0.00 0.00 0.00 53.44 51.89 2jnc n ALA 99 Cb 0.52 -0.99 -0.05 0.00 0.00 0.00 0.00 19.45 18.93 2jnc n ALA 99 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2jnc n TYR 100 N -0.60 1.63 -3.17 0.00 4.01 -1.26 -3.84 117.16 113.94 2jnc n TYR 100 Ca -0.10 0.07 -0.26 0.00 -0.16 0.00 0.00 57.90 57.45 2jnc n TYR 100 Cb 0.79 -2.63 -0.01 0.00 -0.31 0.00 0.00 39.34 37.17 2jnc n TYR 100 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 2jnc s ARG 101 N 7.07 3.55 0.02 -0.72 6.06 0.41 0.12 118.95 135.46 2jnc s ARG 101 Ca 1.04 -0.09 0.03 0.00 -2.50 0.00 0.00 55.73 54.22 2jnc s ARG 101 Cb -0.47 -2.58 -0.02 0.00 0.06 0.00 0.00 34.95 31.95 2jnc s ARG 101 CO 0.37 0.07 -0.10 -2.00 -2.50 0.00 0.00 175.30 171.14 2jnc s GLU 102 N -4.21 0.72 -0.01 5.12 2.12 -1.26 0.17 118.70 121.35 2jnc s GLU 102 Ca 0.43 -0.55 -0.00 0.00 0.36 0.00 0.00 54.97 55.21 2jnc s GLU 102 Cb -0.10 -0.66 -0.04 0.00 0.26 0.00 0.00 34.13 33.59 2jnc s GLU 102 CO 0.37 0.17 0.06 0.00 -0.54 0.00 0.00 175.26 175.32 2jnc s LEU 104 N -1.63 4.41 0.58 0.00 2.01 0.53 -2.40 118.68 122.18 2jnc s LEU 104 Ca 0.21 1.10 0.29 0.00 0.01 0.00 0.00 54.13 55.74 2jnc s LEU 104 Cb -0.12 -2.85 1.46 0.00 0.01 0.00 0.00 46.19 44.69 2jnc s LEU 104 CO 0.12 0.13 1.87 -0.33 1.01 0.00 0.00 176.35 179.15 2jnc h GLU 105 N 5.59 0.00 0.00 1.70 5.08 -1.84 0.67 114.58 125.78 2jnc h GLU 105 Ca -0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 2jnc h GLU 105 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2jnc h GLU 105 CO 0.69 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.79 2jnc n ASN 106 N -3.78 0.68 0.00 1.42 3.02 -1.26 -4.59 115.26 110.75 2jnc n ASN 106 Ca 0.10 0.68 0.00 0.00 -0.03 0.00 0.00 54.58 55.33 2jnc n ASN 106 Cb 0.75 -0.82 0.00 0.00 -0.61 0.00 0.00 39.78 39.10 2jnc n ASN 106 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jnc n GLY 107 N -0.13 0.93 3.94 7.41 0.00 0.23 -2.58 105.19 114.99 2jnc n GLY 107 Ca 0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.85 2jnc n GLY 107 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jnc s THR 108 N -2.00 3.05 -0.15 2.61 -4.23 -1.18 -4.23 115.64 109.52 2jnc s THR 108 Ca 0.00 -1.18 -0.10 0.00 -1.18 0.00 0.00 61.69 59.23 2jnc s THR 108 Cb 0.00 -3.07 -0.05 0.00 1.34 0.00 0.00 72.50 70.73 2jnc s THR 108 CO 0.00 -0.04 0.19 0.26 -0.54 0.00 0.00 174.62 174.49 2jnc s TRP 109 N -2.37 3.51 0.69 3.99 0.52 -1.26 0.20 118.94 124.22 2jnc s TRP 109 Ca 0.50 0.51 -0.07 0.00 0.02 0.00 0.00 56.10 57.05 2jnc s TRP 109 Cb -0.07 -2.12 0.05 0.00 -1.15 0.00 0.00 33.47 30.18 2jnc s TRP 109 CO 0.30 0.47 1.01 0.00 0.02 0.00 0.00 176.95 178.75 2jnc s ALA 110 N -0.24 3.15 -0.72 0.98 0.00 0.37 -4.81 121.76 120.49 2jnc s ALA 110 Ca 0.13 -0.86 -0.02 0.00 0.00 0.00 0.00 51.96 51.21 2jnc s ALA 110 Cb -0.12 -2.63 0.42 0.00 0.00 0.00 0.00 23.12 20.79 2jnc s ALA 110 CO 0.02 -1.24 2.01 -1.13 0.00 0.00 0.00 175.76 175.43 2jnc n SER 111 N -2.89 7.57 0.00 0.00 3.41 -1.26 -4.46 113.62 115.98 2jnc n SER 111 Ca 0.07 -3.81 0.00 0.00 -0.26 0.00 0.00 58.87 54.88 2jnc n SER 111 Cb 0.60 -0.99 0.00 0.00 -0.26 0.00 0.00 64.21 63.56 2jnc n SER 111 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2jnc n ARG 112 N -0.78 0.00 -0.50 4.33 3.00 -1.26 -5.01 116.66 116.43 2jnc n ARG 112 Ca 0.59 0.00 0.07 0.00 -0.00 0.00 0.00 57.85 58.51 2jnc n ARG 112 Cb 0.52 -0.17 -0.02 0.00 0.00 0.00 0.00 32.46 32.80 2jnc n ARG 112 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.63 179.18 2jnc n VAL 113 N 0.00 0.00 -3.17 5.15 3.14 0.33 -4.80 118.33 118.98 2jnc n VAL 113 Ca 0.00 0.00 -0.19 0.00 -2.96 0.00 0.00 64.34 61.19 2jnc n VAL 113 Cb 0.00 -0.17 -0.06 0.00 -1.06 0.00 0.00 33.84 32.55 2jnc n VAL 113 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 2jnc n ASN 114 N -3.90 -1.45 0.04 6.55 2.85 -1.26 -4.40 115.26 113.70 2jnc n ASN 114 Ca 0.00 -2.57 0.13 0.00 -0.11 0.00 0.00 54.58 52.03 2jnc n ASN 114 Cb 0.23 0.21 0.33 0.00 1.24 0.00 0.00 39.78 41.79 2jnc n ASN 114 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 2jnc n TYR 115 N 2.79 0.37 -0.32 1.20 4.01 -1.26 -4.05 117.16 119.90 2jnc n TYR 115 Ca 0.26 0.11 0.23 0.00 -0.16 0.00 0.00 57.90 58.33 2jnc n TYR 115 Cb 0.51 -0.57 0.51 0.00 -0.31 0.00 0.00 39.34 39.48 2jnc n TYR 115 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 2jnc h SER 116 N 0.00 0.43 0.00 7.72 0.02 -1.92 -3.37 113.55 116.43 2jnc h SER 116 Ca 0.00 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 2jnc h SER 116 Cb 0.63 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.18 2jnc h SER 116 CO 0.00 0.09 0.00 1.41 -1.14 0.00 0.00 176.83 177.19 2jnc n HIS 117 N -4.61 0.00 0.00 3.45 8.25 -1.26 -4.87 115.22 116.19 2jnc n HIS 117 Ca 0.25 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.71 2jnc n HIS 117 Cb 0.87 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.98 2jnc n HIS 117 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2jnc n GLU 119 N 0.00 -2.66 -2.22 0.00 4.71 -1.26 -3.33 120.64 115.88 2jnc n GLU 119 Ca 0.00 1.93 -0.34 0.00 -0.01 0.00 0.00 57.16 58.74 2jnc n GLU 119 Cb 0.00 -2.13 -0.00 0.00 -1.01 0.00 0.00 31.44 28.30 2jnc n GLU 119 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 2jnc s PRO 120 N -3.32 3.42 0.00 3.49 0.04 -1.26 0.48 135.00 137.86 2jnc s PRO 120 Ca 0.00 1.36 0.00 0.00 0.04 0.00 0.00 61.00 62.40 2jnc s PRO 120 Cb 0.00 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.50 2jnc s PRO 120 CO 0.00 -0.75 0.00 -0.89 0.04 0.00 0.00 177.00 175.40