#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 -1.95 0.00 -0.18 0.00 -0.00 -1.26 -5.16 115.22 106.67 2jnc n HIS 46 Ca 0.07 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.25 2jnc n HIS 46 Cb 0.62 0.00 -0.00 0.00 -0.12 0.00 0.00 29.99 30.49 2jnc n HIS 46 CO 0.00 0.00 0.00 -2.13 0.46 0.00 0.00 176.34 174.67 2jnc n ARG 47 N 0.00 -0.48 -2.28 1.57 0.00 -1.26 -4.82 116.66 109.39 2jnc n ARG 47 Ca 0.00 0.37 -0.01 0.00 -0.00 0.00 0.00 57.85 58.21 2jnc n ARG 47 Cb 0.00 -0.47 0.05 0.00 0.00 0.00 0.00 32.46 32.04 2jnc n ARG 47 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 2jnc n THR 48 N -1.72 0.49 -0.98 5.15 -2.24 -1.26 -5.11 114.28 108.62 2jnc n THR 48 Ca -0.00 -1.61 0.13 0.00 -2.27 0.00 0.00 64.05 60.29 2jnc n THR 48 Cb 0.06 1.05 -0.05 0.00 -2.10 0.00 0.00 70.33 69.29 2jnc n THR 48 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2jnc n THR 49 N -0.58 -0.03 -3.68 4.28 -2.24 -1.26 -4.89 114.28 105.88 2jnc n THR 49 Ca -0.05 0.35 -0.36 0.00 -2.27 0.00 0.00 64.05 61.72 2jnc n THR 49 Cb 0.88 -0.68 -0.06 0.00 -2.10 0.00 0.00 70.33 68.37 2jnc n THR 49 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2jnc s ILE 50 N -2.92 5.23 0.00 2.28 1.09 -1.26 -4.91 121.20 120.72 2jnc s ILE 50 Ca 0.00 0.43 0.00 0.00 -1.10 0.00 0.00 60.65 59.98 2jnc s ILE 50 Cb 0.00 -3.59 0.00 0.00 -1.06 0.00 0.00 42.46 37.81 2jnc s ILE 50 CO 0.00 0.48 0.00 0.61 -0.10 0.00 0.00 174.94 175.93 2jnc n GLY 51 N 1.50 2.78 2.46 6.18 0.00 -1.26 -4.04 105.19 112.79 2jnc n GLY 51 Ca -0.14 0.30 -0.03 0.00 0.00 0.00 0.00 46.02 46.15 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 9.66 -1.10 -3.07 1.61 2.85 -1.26 -5.10 115.26 118.86 2jnc n ASN 52 Ca 0.00 -1.72 0.04 0.00 -0.11 0.00 0.00 54.58 52.79 2jnc n ASN 52 Cb 0.00 0.79 0.00 0.00 1.24 0.00 0.00 39.78 41.81 2jnc n ASN 52 CO 0.00 0.00 0.00 0.72 -2.11 0.00 0.00 177.26 175.87 2jnc s PHE 53 N 0.06 -0.55 -0.67 1.20 -0.12 -1.26 -5.04 117.98 111.61 2jnc s PHE 53 Ca 0.06 0.26 -0.13 0.00 -0.05 0.00 0.00 56.93 57.07 2jnc s PHE 53 Cb 0.15 0.10 0.02 0.00 -0.63 0.00 0.00 43.02 42.65 2jnc s PHE 53 CO -0.04 -0.33 0.64 0.43 -0.05 0.00 0.00 175.22 175.87 2jnc n SER 54 N 4.78 -5.75 -4.68 1.98 7.64 -1.26 -4.81 113.62 111.52 2jnc n SER 54 Ca 0.08 -0.46 -0.44 0.00 1.01 0.00 0.00 58.87 59.06 2jnc n SER 54 Cb 0.59 -2.53 -0.04 0.00 -1.01 0.00 0.00 64.21 61.22 2jnc n SER 54 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jnc n GLY 55 N -1.11 1.56 3.75 0.23 0.00 -1.26 -4.98 105.19 103.38 2jnc n GLY 55 Ca -0.17 0.76 -0.29 0.00 0.00 0.00 0.00 46.02 46.32 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 3.02 0.47 0.43 1.61 0.04 -1.26 -4.89 135.00 134.41 2jnc s PRO 56 Ca 0.85 0.15 0.07 0.00 0.04 0.00 0.00 61.00 62.11 2jnc s PRO 56 Cb -0.56 -1.77 -0.04 0.00 0.04 0.00 0.00 34.50 32.17 2jnc s PRO 56 CO 0.42 -2.62 0.23 -0.47 0.04 0.00 0.00 177.00 174.59 2jnc s TYR 57 N -3.26 2.54 0.01 0.56 5.04 -1.26 -4.93 117.35 116.05 2jnc s TYR 57 Ca 0.67 -0.60 0.00 0.00 -2.44 0.00 0.00 57.07 54.70 2jnc s TYR 57 Cb -0.13 -1.99 0.00 0.00 0.35 0.00 0.00 41.96 40.19 2jnc s TYR 57 CO 0.54 0.08 0.00 2.41 -1.34 0.00 0.00 175.55 177.25 2jnc n THR 58 N -1.33 0.00 0.00 4.34 -1.04 -1.26 -5.10 114.28 109.88 2jnc n THR 58 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 2jnc n THR 58 Cb 0.64 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.15 2jnc n THR 58 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 2jnc n TYR 59 N -2.22 0.00 -3.91 -1.42 4.02 -1.26 -4.27 117.16 108.10 2jnc n TYR 59 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.79 2jnc n TYR 59 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.22 2jnc n TYR 59 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2jnc s ASN 61 N -1.60 5.58 -0.71 0.00 3.84 -1.26 -3.42 114.94 117.37 2jnc s ASN 61 Ca -0.13 0.14 -0.26 0.00 0.21 0.00 0.00 52.86 52.82 2jnc s ASN 61 Cb -0.07 -1.85 -0.08 0.00 -0.55 0.00 0.00 41.25 38.71 2jnc s ASN 61 CO -0.01 0.26 2.22 -0.89 -2.79 0.00 0.00 177.10 175.90 2jnc s THR 62 N -0.14 3.16 0.33 -5.21 2.01 -1.16 -4.49 115.64 110.13 2jnc s THR 62 Ca 0.07 -0.05 0.06 0.00 0.31 0.00 0.00 61.69 62.07 2jnc s THR 62 Cb -0.12 -3.38 -0.07 0.00 0.01 0.00 0.00 72.50 68.94 2jnc s THR 62 CO 0.01 -0.36 -0.00 0.28 -0.69 0.00 0.00 174.62 173.86 2jnc s THR 63 N 12.21 1.59 -0.31 -0.82 -1.32 -0.56 -4.59 115.64 121.85 2jnc s THR 63 Ca 0.85 -2.05 0.10 0.00 -1.21 0.00 0.00 61.69 59.38 2jnc s THR 63 Cb -0.13 -2.72 0.70 0.00 -1.51 0.00 0.00 72.50 68.84 2jnc s THR 63 CO 0.13 -0.11 1.74 -0.11 -2.21 0.00 0.00 174.62 174.06 2jnc n LEU 64 N -0.72 5.70 -4.34 9.08 0.00 -1.26 0.18 117.00 125.63 2jnc n LEU 64 Ca -0.04 -3.27 -0.36 0.00 0.00 0.00 0.00 56.01 52.34 2jnc n LEU 64 Cb 0.65 -0.72 0.06 0.00 0.00 0.00 0.00 43.42 43.42 2jnc n LEU 64 CO 0.43 0.85 -0.31 0.47 0.00 0.00 0.00 177.39 178.82 2jnc n ASP 65 N -0.32 -2.54 0.00 1.96 9.92 -1.26 -4.14 116.55 120.17 2jnc n ASP 65 Ca 0.39 0.51 0.00 0.00 -0.53 0.00 0.00 54.79 55.16 2jnc n ASP 65 Cb 1.31 -1.07 0.00 0.00 -0.64 0.00 0.00 41.12 40.72 2jnc n ASP 65 CO 0.00 0.00 0.00 1.67 0.13 0.00 0.00 177.20 179.00 2jnc n GLN 66 N 0.13 0.00 -4.66 -1.24 -0.06 -1.26 -4.65 117.38 105.64 2jnc n GLN 66 Ca 0.07 0.00 -0.33 0.00 -2.00 0.00 0.00 57.00 54.74 2jnc n GLN 66 Cb 0.51 0.00 -0.06 0.00 -4.06 0.00 0.00 30.24 26.63 2jnc n GLN 66 CO 0.00 0.00 0.00 0.44 -0.20 0.00 0.00 177.06 177.30 2jnc n ILE 67 N 0.00 0.00 -0.51 1.69 -5.35 -1.26 -5.00 119.36 108.93 2jnc n ILE 67 Ca 0.00 -2.45 -0.12 0.00 -0.27 0.00 0.00 62.75 59.91 2jnc n ILE 67 Cb 0.00 0.44 -0.04 0.00 -1.74 0.00 0.00 39.64 38.30 2jnc n ILE 67 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2jnc n GLY 68 N -1.32 2.42 3.02 3.28 0.00 -1.26 -4.75 105.19 106.58 2jnc n GLY 68 Ca -0.20 -0.59 -0.10 0.00 0.00 0.00 0.00 46.02 45.13 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 3.18 0.09 -0.15 2.61 -1.32 -1.26 -5.15 115.64 113.63 2jnc s THR 69 Ca 0.29 -0.71 -0.16 0.00 -1.21 0.00 0.00 61.69 59.91 2jnc s THR 69 Cb 0.10 -0.31 -0.04 0.00 -1.51 0.00 0.00 72.50 70.74 2jnc s THR 69 CO -0.02 -0.39 0.39 0.00 -2.21 0.00 0.00 174.62 172.40 2jnc s TRP 71 N 0.71 3.54 0.20 0.00 0.52 0.47 -4.91 118.94 119.47 2jnc s TRP 71 Ca 0.21 -2.57 -0.03 0.00 0.02 0.00 0.00 56.10 53.72 2jnc s TRP 71 Cb -0.14 -3.36 0.05 0.00 -1.15 0.00 0.00 33.47 28.87 2jnc s TRP 71 CO 0.07 -0.87 0.17 -0.35 0.02 0.00 0.00 176.95 176.00 2jnc n PRO 72 N 3.47 -1.41 -2.13 4.98 -0.04 -1.26 -1.49 135.00 137.11 2jnc n PRO 72 Ca 0.11 -0.27 -0.40 0.00 -0.04 0.00 0.00 63.50 62.89 2jnc n PRO 72 Cb 0.40 -0.26 -0.02 0.00 -0.04 0.00 0.00 33.50 33.58 2jnc n PRO 72 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 2jnc s GLN 73 N -3.39 4.26 0.00 0.54 0.00 -1.22 -4.35 119.66 115.50 2jnc s GLN 73 Ca 0.11 2.15 0.00 0.00 -0.00 0.00 0.00 55.36 57.62 2jnc s GLN 73 Cb -0.01 -2.98 0.00 0.00 0.00 0.00 0.00 33.01 30.02 2jnc s GLN 73 CO 0.09 -0.24 0.00 0.45 0.00 0.00 0.00 175.29 175.58 2jnc n SER 74 N 0.62 0.00 -3.58 12.60 2.88 -1.26 -4.84 113.62 120.03 2jnc n SER 74 Ca 0.01 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.49 2jnc n SER 74 Cb 0.43 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.86 2jnc n SER 74 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jnc s ALA 75 N -1.88 -2.00 0.03 -1.46 0.00 -1.26 -4.49 121.76 110.69 2jnc s ALA 75 Ca 0.00 1.53 -0.30 0.00 0.00 0.00 0.00 51.96 53.19 2jnc s ALA 75 Cb 0.00 -0.35 -0.08 0.00 0.00 0.00 0.00 23.12 22.68 2jnc s ALA 75 CO 0.00 -0.50 1.85 -1.25 0.00 0.00 0.00 175.76 175.87 2jnc s PRO 76 N -2.06 4.16 0.00 0.00 0.04 -1.26 -2.85 135.00 133.03 2jnc s PRO 76 Ca 0.06 2.49 0.00 0.00 0.04 0.00 0.00 61.00 63.59 2jnc s PRO 76 Cb -0.01 -4.02 0.00 0.00 0.04 0.00 0.00 34.50 30.51 2jnc s PRO 76 CO -0.05 -0.90 0.00 0.41 0.04 0.00 0.00 177.00 176.50 2jnc n GLY 77 N 4.37 0.99 3.02 0.56 0.00 0.26 -4.69 105.19 109.71 2jnc n GLY 77 Ca 0.19 -0.38 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.50 1.96 -0.23 4.61 0.00 -1.13 -4.93 121.76 119.55 2jnc s ALA 78 Ca 0.00 -1.04 -0.20 0.00 0.00 0.00 0.00 51.96 50.71 2jnc s ALA 78 Cb 0.00 -1.15 -0.02 0.00 0.00 0.00 0.00 23.12 21.95 2jnc s ALA 78 CO 0.00 -0.53 0.61 -1.17 0.00 0.00 0.00 175.76 174.67 2jnc s LEU 79 N 1.43 4.10 -0.11 0.00 0.20 -1.26 0.63 118.68 123.67 2jnc s LEU 79 Ca 0.03 0.75 0.00 0.00 0.69 0.00 0.00 54.13 55.60 2jnc s LEU 79 Cb -0.14 -2.84 -0.02 0.00 -0.43 0.00 0.00 46.19 42.76 2jnc s LEU 79 CO -0.10 -0.31 -0.12 -0.69 -0.29 0.00 0.00 176.35 174.84 2jnc s VAL 80 N 2.16 3.14 0.39 1.68 1.01 0.28 -4.91 120.40 124.13 2jnc s VAL 80 Ca 0.27 -0.65 0.08 0.00 0.00 0.00 0.00 61.98 61.68 2jnc s VAL 80 Cb -0.16 -2.30 -0.01 0.00 0.00 0.00 0.00 36.38 33.91 2jnc s VAL 80 CO 0.09 0.54 0.46 -1.61 0.00 0.00 0.00 175.10 174.58 2jnc s GLU 81 N 0.10 2.80 -0.16 2.72 2.02 -1.26 0.15 118.70 125.07 2jnc s GLU 81 Ca -0.05 -1.27 -0.11 0.00 0.02 0.00 0.00 54.97 53.56 2jnc s GLU 81 Cb -0.15 -2.64 0.05 0.00 0.10 0.00 0.00 34.13 31.50 2jnc s GLU 81 CO 0.04 -0.13 0.40 1.03 0.02 0.00 0.00 175.26 176.63 2jnc s ARG 82 N -4.20 0.41 0.25 1.61 1.81 -1.17 -4.87 118.95 112.78 2jnc s ARG 82 Ca 0.49 0.70 -0.31 0.00 -1.72 0.00 0.00 55.73 54.89 2jnc s ARG 82 Cb -0.08 0.06 -0.13 0.00 -0.45 0.00 0.00 34.95 34.35 2jnc s ARG 82 CO 0.30 -0.12 1.52 -0.35 -0.68 0.00 0.00 175.30 175.97 2jnc n PRO 83 N 3.78 2.34 -1.53 3.54 -0.04 -1.26 0.46 135.00 142.30 2jnc n PRO 83 Ca -0.20 0.84 -0.44 0.00 -0.04 0.00 0.00 63.50 63.66 2jnc n PRO 83 Cb 0.56 -2.56 -0.01 0.00 -0.04 0.00 0.00 33.50 31.45 2jnc n PRO 83 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jnc s PRO 85 N -1.56 3.49 0.37 0.00 0.04 -1.26 -4.74 135.00 131.33 2jnc s PRO 85 Ca 0.61 2.20 0.05 0.00 0.04 0.00 0.00 61.00 63.90 2jnc s PRO 85 Cb -0.68 -4.29 0.74 0.00 0.04 0.00 0.00 34.50 30.31 2jnc s PRO 85 CO 0.58 -1.69 1.98 1.49 0.04 0.00 0.00 177.00 179.40 2jnc h GLU 86 N 13.39 0.73 0.00 4.56 4.81 -1.86 -3.43 114.58 132.78 2jnc h GLU 86 Ca -0.43 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 2jnc h GLU 86 Cb 1.23 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.45 2jnc h GLU 86 CO 0.96 0.48 0.00 0.66 -0.73 0.00 0.00 179.01 180.38 2jnc n TYR 87 N -4.47 -0.10 -1.32 0.92 4.02 -1.26 0.92 117.16 115.87 2jnc n TYR 87 Ca 0.09 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 58.05 2jnc n TYR 87 Cb 0.17 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.47 2jnc n TYR 87 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 2jnc n PHE 88 N -0.03 -2.46 -1.72 -0.72 3.72 -1.12 -4.82 117.46 110.30 2jnc n PHE 88 Ca 0.00 0.62 -0.19 0.00 -0.05 0.00 0.00 57.45 57.83 2jnc n PHE 88 Cb 0.00 -1.13 -0.07 0.00 -0.94 0.00 0.00 39.48 37.34 2jnc n PHE 88 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2jnc n ASN 89 N -2.06 -5.08 -0.23 4.37 4.13 -1.26 -1.20 115.26 113.92 2jnc n ASN 89 Ca 0.00 0.38 -0.03 0.00 1.68 0.00 0.00 54.58 56.62 2jnc n ASN 89 Cb 0.23 -4.47 -0.01 0.00 -1.54 0.00 0.00 39.78 33.98 2jnc n ASN 89 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2jnc n GLY 90 N -0.47 0.50 2.37 7.41 0.00 -1.26 -4.95 105.19 108.78 2jnc n GLY 90 Ca -0.20 -0.13 -0.11 0.00 0.00 0.00 0.00 46.02 45.58 2jnc n GLY 90 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2jnc n ILE 91 N -2.51 0.00 -3.42 -0.61 -6.64 -0.34 -5.00 119.36 100.83 2jnc n ILE 91 Ca -0.03 -1.36 -0.23 0.00 -1.77 0.00 0.00 62.75 59.36 2jnc n ILE 91 Cb 0.30 0.80 -0.10 0.00 -1.44 0.00 0.00 39.64 39.19 2jnc n ILE 91 CO 0.00 0.00 0.00 -0.75 -1.77 0.00 0.00 176.55 174.03 2jnc s LYS 92 N -2.65 0.54 0.00 6.28 2.20 -1.25 -2.78 119.74 122.09 2jnc s LYS 92 Ca 0.22 -0.99 0.00 0.00 -0.36 0.00 0.00 55.97 54.84 2jnc s LYS 92 Cb -0.00 -1.00 0.00 0.00 -1.51 0.00 0.00 37.83 35.32 2jnc s LYS 92 CO 0.16 -1.18 0.00 0.98 -0.36 0.00 0.00 175.35 174.95 2jnc n TYR 93 N 4.30 0.00 -1.93 4.03 4.19 0.26 -4.93 117.16 123.09 2jnc n TYR 93 Ca 0.09 0.00 -0.01 0.00 3.31 0.00 0.00 57.90 61.30 2jnc n TYR 93 Cb 0.41 0.00 -0.01 0.00 0.49 0.00 0.00 39.34 40.24 2jnc n TYR 93 CO 0.00 0.00 0.00 -1.71 0.91 0.00 0.00 176.86 176.06 2jnc n ASN 94 N 0.00 -5.47 -1.64 2.98 2.85 -1.26 -4.76 115.26 107.96 2jnc n ASN 94 Ca 0.00 1.11 -0.07 0.00 -0.11 0.00 0.00 54.58 55.51 2jnc n ASN 94 Cb 0.00 -3.69 0.08 0.00 1.24 0.00 0.00 39.78 37.42 2jnc n ASN 94 CO 0.00 0.00 0.00 0.41 -2.11 0.00 0.00 177.26 175.56 2jnc n THR 95 N 1.15 1.87 1.65 -0.44 -1.04 -1.26 -4.63 114.28 111.58 2jnc n THR 95 Ca -0.06 -3.25 0.11 0.00 -2.04 0.00 0.00 64.05 58.81 2jnc n THR 95 Cb 0.10 -0.15 0.52 0.00 -1.82 0.00 0.00 70.33 68.98 2jnc n THR 95 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 2jnc n THR 96 N -0.65 0.08 -4.62 12.58 -1.04 -1.26 -4.45 114.28 114.92 2jnc n THR 96 Ca 0.25 -0.16 -0.28 0.00 -2.04 0.00 0.00 64.05 61.82 2jnc n THR 96 Cb 0.88 0.02 -0.10 0.00 -1.82 0.00 0.00 70.33 69.31 2jnc n THR 96 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2jnc s ARG 97 N -1.92 1.97 0.11 -2.82 1.81 -1.26 -5.01 118.95 111.83 2jnc s ARG 97 Ca 0.32 -2.16 -0.04 0.00 -1.72 0.00 0.00 55.73 52.13 2jnc s ARG 97 Cb 0.16 -1.40 -0.02 0.00 -0.45 0.00 0.00 34.95 33.24 2jnc s ARG 97 CO 0.26 -0.19 0.11 -0.80 -0.68 0.00 0.00 175.30 174.00 2jnc s ASN 98 N -3.71 0.26 -0.94 0.23 -0.87 -1.26 0.29 114.94 108.94 2jnc s ASN 98 Ca 0.26 -0.96 -0.11 0.00 -1.57 0.00 0.00 52.86 50.48 2jnc s ASN 98 Cb 0.07 0.31 0.24 0.00 -0.02 0.00 0.00 41.25 41.85 2jnc s ASN 98 CO 0.13 -0.73 0.89 0.00 -2.57 0.00 0.00 177.10 174.82 2jnc s ALA 99 N -3.96 4.33 -0.69 0.60 0.00 0.17 -3.04 121.76 119.18 2jnc s ALA 99 Ca 0.14 -3.55 -0.26 0.00 0.00 0.00 0.00 51.96 48.29 2jnc s ALA 99 Cb 0.06 -3.48 -0.06 0.00 0.00 0.00 0.00 23.12 19.64 2jnc s ALA 99 CO -0.04 -2.24 2.10 0.71 0.00 0.00 0.00 175.76 176.29 2jnc s TYR 100 N -0.47 1.47 -0.35 0.00 2.02 -1.26 -3.05 117.35 115.71 2jnc s TYR 100 Ca 0.23 1.14 -0.07 0.00 -0.37 0.00 0.00 57.07 58.00 2jnc s TYR 100 Cb -0.10 -3.85 0.04 0.00 -0.40 0.00 0.00 41.96 37.66 2jnc s TYR 100 CO -0.09 -2.08 0.14 0.50 -1.57 0.00 0.00 175.55 172.45 2jnc s ARG 101 N 7.64 2.62 0.10 -0.62 3.52 0.40 -0.03 118.95 132.58 2jnc s ARG 101 Ca 0.79 -1.22 0.01 0.00 -0.13 0.00 0.00 55.73 55.19 2jnc s ARG 101 Cb -0.12 -3.53 -0.04 0.00 -1.56 0.00 0.00 34.95 29.70 2jnc s ARG 101 CO 0.14 -0.71 0.25 -2.00 -0.81 0.00 0.00 175.30 172.16 2jnc s GLU 102 N 1.42 3.44 -0.88 5.12 2.12 -1.22 0.98 118.70 129.68 2jnc s GLU 102 Ca -0.00 -0.49 -0.17 0.00 0.36 0.00 0.00 54.97 54.66 2jnc s GLU 102 Cb -0.20 -3.00 0.17 0.00 0.26 0.00 0.00 34.13 31.36 2jnc s GLU 102 CO 0.03 0.57 0.96 0.00 -0.54 0.00 0.00 175.26 176.28 2jnc n LEU 104 N 5.42 0.41 -0.04 0.00 7.94 0.20 0.93 117.00 131.86 2jnc n LEU 104 Ca 0.19 0.75 0.25 0.00 -1.11 0.00 0.00 56.01 56.08 2jnc n LEU 104 Cb 0.48 -0.57 0.71 0.00 0.53 0.00 0.00 43.42 44.57 2jnc n LEU 104 CO 0.43 -0.85 1.22 1.05 -1.11 0.00 0.00 177.39 178.13 2jnc h GLU 105 N 2.58 0.00 0.00 1.96 -0.00 -1.86 0.28 114.58 117.54 2jnc h GLU 105 Ca -0.30 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.06 2jnc h GLU 105 Cb 0.89 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.64 2jnc h GLU 105 CO 0.52 0.00 0.00 -0.91 -0.00 0.00 0.00 179.01 178.62 2jnc h ASN 106 N 0.00 0.00 0.00 3.06 4.21 -1.95 -3.44 115.58 117.46 2jnc h ASN 106 Ca 0.32 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.83 2jnc h ASN 106 Cb 1.53 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.73 2jnc h ASN 106 CO -0.00 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 176.75 2jnc n GLY 107 N -0.58 0.90 0.00 2.83 0.00 0.96 -5.02 105.19 104.27 2jnc n GLY 107 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2jnc n GLY 107 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2jnc n THR 108 N 0.00 0.00 -4.08 2.61 5.66 -0.99 -4.70 114.28 112.78 2jnc n THR 108 Ca 0.00 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.65 2jnc n THR 108 Cb 0.00 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 68.66 2jnc n THR 108 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 175.07 172.28 2jnc s TRP 109 N -5.82 3.06 -0.25 1.09 0.23 -1.26 -0.63 118.94 115.37 2jnc s TRP 109 Ca 0.00 -0.37 -0.22 0.00 -2.03 0.00 0.00 56.10 53.48 2jnc s TRP 109 Cb 0.00 -2.08 -0.01 0.00 0.03 0.00 0.00 33.47 31.41 2jnc s TRP 109 CO 0.00 -0.18 0.71 0.00 0.96 0.00 0.00 176.95 178.44 2jnc s ALA 110 N 0.90 3.62 0.01 0.98 0.00 0.49 -4.76 121.76 123.01 2jnc s ALA 110 Ca 0.01 -0.32 -0.05 0.00 0.00 0.00 0.00 51.96 51.60 2jnc s ALA 110 Cb -0.14 -3.14 -0.02 0.00 0.00 0.00 0.00 23.12 19.82 2jnc s ALA 110 CO 0.02 -0.87 1.08 0.66 0.00 0.00 0.00 175.76 176.65 2jnc h SER 111 N 7.82 -0.21 0.00 0.00 4.64 -1.92 -3.22 113.55 120.65 2jnc h SER 111 Ca -0.25 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 2jnc h SER 111 Cb 1.11 0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2jnc h SER 111 CO 0.81 -0.09 0.00 -1.14 -0.87 0.00 0.00 176.83 175.54 2jnc n ARG 112 N -2.79 0.00 -3.57 4.77 3.00 -1.26 -4.59 116.66 112.22 2jnc n ARG 112 Ca -0.02 0.00 -0.37 0.00 -0.00 0.00 0.00 57.85 57.47 2jnc n ARG 112 Cb 0.06 0.00 0.03 0.00 0.00 0.00 0.00 32.46 32.56 2jnc n ARG 112 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 2jnc n VAL 113 N 0.00 -3.68 0.00 5.15 0.24 0.95 -4.87 118.33 116.13 2jnc n VAL 113 Ca 0.00 0.05 0.00 0.00 -2.04 0.00 0.00 64.34 62.35 2jnc n VAL 113 Cb 0.00 -3.35 0.00 0.00 -1.47 0.00 0.00 33.84 29.02 2jnc n VAL 113 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 2jnc n ASN 114 N -0.69 0.00 -1.79 -1.34 2.85 -1.25 -4.69 115.26 108.35 2jnc n ASN 114 Ca -0.14 0.36 -0.05 0.00 -0.11 0.00 0.00 54.58 54.64 2jnc n ASN 114 Cb 0.69 -0.03 -0.01 0.00 1.24 0.00 0.00 39.78 41.67 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 -0.98 -1.22 -0.06 1.20 4.02 -1.17 -4.71 117.16 114.24 2jnc n TYR 115 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.83 2jnc n TYR 115 Cb 0.00 -1.70 -0.08 0.00 -0.02 0.00 0.00 39.34 37.54 2jnc n TYR 115 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 2jnc n SER 116 N -0.58 2.35 -1.49 7.72 3.41 -1.26 -4.55 113.62 119.21 2jnc n SER 116 Ca -0.06 -0.01 -0.10 0.00 -0.26 0.00 0.00 58.87 58.44 2jnc n SER 116 Cb 0.35 0.61 0.07 0.00 -0.26 0.00 0.00 64.21 64.99 2jnc n SER 116 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2jnc n HIS 117 N -2.50 1.21 -2.72 7.33 8.25 -1.26 -4.85 115.22 120.69 2jnc n HIS 117 Ca -0.19 -1.05 -0.42 0.00 -0.26 0.00 0.00 57.72 55.80 2jnc n HIS 117 Cb 0.85 -0.53 -0.03 0.00 1.12 0.00 0.00 29.99 31.39 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 8.34 2.69 -1.95 0.00 -0.58 -1.26 -5.00 120.64 122.87 2jnc n GLU 119 Ca 0.01 0.97 -0.29 0.00 -0.42 0.00 0.00 57.16 57.42 2jnc n GLU 119 Cb 0.47 -2.78 0.16 0.00 -0.57 0.00 0.00 31.44 28.72 2jnc n GLU 119 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2jnc s PRO 120 N 0.62 1.01 0.00 3.49 0.04 -1.26 -4.54 135.00 134.36 2jnc s PRO 120 Ca 0.72 -0.32 0.00 0.00 0.04 0.00 0.00 61.00 61.44 2jnc s PRO 120 Cb -0.52 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.13 2jnc s PRO 120 CO 0.38 -2.17 0.38 1.51 0.04 0.00 0.00 177.00 177.13