#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 -2.84 -1.88 -1.96 0.00 8.25 -1.26 -5.06 115.22 110.46 2jnc n HIS 46 Ca 0.06 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.28 2jnc n HIS 46 Cb 0.59 0.00 0.16 0.00 1.12 0.00 0.00 29.99 31.85 2jnc n HIS 46 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2jnc n ARG 47 N -0.64 -0.86 -0.73 -0.41 3.00 -1.26 -4.86 116.66 110.89 2jnc n ARG 47 Ca 0.00 -1.88 -0.00 0.00 -0.01 0.00 0.00 57.85 55.95 2jnc n ARG 47 Cb 0.00 -1.03 0.20 0.00 0.00 0.00 0.00 32.46 31.63 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 -3.36 2.42 -3.86 0.55 -2.24 -1.26 -4.48 114.28 102.05 2jnc n THR 48 Ca 0.14 -2.97 -0.08 0.00 -2.27 0.00 0.00 64.05 58.87 2jnc n THR 48 Cb 0.50 -0.29 -0.03 0.00 -2.10 0.00 0.00 70.33 68.41 2jnc n THR 48 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2jnc s THR 49 N -3.25 0.00 0.04 4.28 -1.32 -1.26 -4.87 115.64 109.26 2jnc s THR 49 Ca 0.42 -1.02 0.05 0.00 -1.21 0.00 0.00 61.69 59.94 2jnc s THR 49 Cb 0.39 -1.96 -0.02 0.00 -1.51 0.00 0.00 72.50 69.40 2jnc s THR 49 CO -0.03 -0.01 -0.15 -0.63 -2.21 0.00 0.00 174.62 171.58 2jnc s ILE 50 N -3.93 1.22 0.00 5.08 1.09 -1.26 -5.07 121.20 118.34 2jnc s ILE 50 Ca 0.13 -1.07 0.00 0.00 -1.10 0.00 0.00 60.65 58.60 2jnc s ILE 50 Cb -0.04 -1.11 0.00 0.00 -1.06 0.00 0.00 42.46 40.25 2jnc s ILE 50 CO 0.06 0.02 0.00 0.61 -0.10 0.00 0.00 174.94 175.53 2jnc n GLY 51 N 1.82 2.26 2.75 6.18 0.00 -1.26 -3.43 105.19 113.51 2jnc n GLY 51 Ca -0.18 -0.46 -0.02 0.00 0.00 0.00 0.00 46.02 45.36 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 3.46 0.24 -0.83 1.61 5.15 -1.26 -4.90 115.26 118.73 2jnc n ASN 52 Ca 0.00 -2.20 -0.00 0.00 -0.60 0.00 0.00 54.58 51.78 2jnc n ASN 52 Cb 0.00 0.03 -0.00 0.00 -0.53 0.00 0.00 39.78 39.28 2jnc n ASN 52 CO 0.00 0.00 0.00 0.33 1.40 0.00 0.00 177.26 178.99 2jnc n PHE 53 N -0.87 -0.00 -3.29 1.20 -0.00 -1.26 -5.04 117.46 108.20 2jnc n PHE 53 Ca -0.02 -0.00 -0.09 0.00 -0.00 0.00 0.00 57.45 57.34 2jnc n PHE 53 Cb 0.83 0.35 0.00 0.00 -0.00 0.00 0.00 39.48 40.66 2jnc n PHE 53 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 2jnc n SER 54 N -0.00 -6.83 0.15 -2.13 7.64 -1.25 -4.96 113.62 106.24 2jnc n SER 54 Ca -0.00 -0.33 -0.07 0.00 1.01 0.00 0.00 58.87 59.48 2jnc n SER 54 Cb 0.33 -4.09 -0.03 0.00 -1.01 0.00 0.00 64.21 59.41 2jnc n SER 54 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2jnc h GLY 55 N 0.32 -0.65 -0.39 0.23 0.00 -1.95 -3.46 103.07 97.17 2jnc h GLY 55 Ca -0.21 0.27 -0.17 0.00 0.00 0.00 0.00 47.33 47.21 2jnc h GLY 55 CO 0.32 -0.23 0.13 -1.55 0.00 0.00 0.00 176.54 175.21 2jnc n PRO 56 N -3.30 -0.26 0.00 4.80 -0.04 -1.26 -4.95 135.00 129.98 2jnc n PRO 56 Ca -0.05 -0.88 0.11 0.00 -0.04 0.00 0.00 63.50 62.64 2jnc n PRO 56 Cb 0.17 -0.45 0.59 0.00 -0.04 0.00 0.00 33.50 33.77 2jnc n PRO 56 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 2jnc n TYR 57 N -2.50 0.00 -0.08 0.54 4.19 -1.26 -4.98 117.16 113.07 2jnc n TYR 57 Ca 0.06 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.27 2jnc n TYR 57 Cb 0.23 -0.18 0.00 0.00 0.49 0.00 0.00 39.34 39.88 2jnc n TYR 57 CO 0.00 0.00 0.00 2.41 0.91 0.00 0.00 176.86 180.18 2jnc n THR 58 N -1.18 -1.20 -3.78 2.97 -1.04 -1.26 -5.05 114.28 103.73 2jnc n THR 58 Ca 0.13 0.11 -0.24 0.00 -2.04 0.00 0.00 64.05 62.01 2jnc n THR 58 Cb 0.14 -0.54 -0.17 0.00 -1.82 0.00 0.00 70.33 67.93 2jnc n THR 58 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 2jnc s TYR 59 N -1.65 0.84 0.12 -1.42 1.51 -1.26 -4.57 117.35 110.92 2jnc s TYR 59 Ca 0.00 -0.36 0.00 0.00 -1.01 0.00 0.00 57.07 55.70 2jnc s TYR 59 Cb 0.00 -0.90 0.00 0.00 -0.11 0.00 0.00 41.96 40.95 2jnc s TYR 59 CO 0.00 -0.40 0.00 0.00 -1.11 0.00 0.00 175.55 174.04 2jnc n ASN 61 N -3.76 2.58 -0.19 0.00 3.02 -1.26 -4.81 115.26 110.86 2jnc n ASN 61 Ca 0.00 -2.90 0.00 0.00 -0.03 0.00 0.00 54.58 51.65 2jnc n ASN 61 Cb 0.24 -0.48 0.00 0.00 -0.61 0.00 0.00 39.78 38.93 2jnc n ASN 61 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 2jnc n THR 62 N -0.34 0.00 -4.61 3.41 -1.04 -1.22 -4.87 114.28 105.62 2jnc n THR 62 Ca 0.19 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.92 2jnc n THR 62 Cb 0.80 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 69.21 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 0.00 1.44 -0.02 12.58 -1.32 0.30 -4.81 115.64 123.81 2jnc s THR 63 Ca 0.00 -2.00 0.03 0.00 -1.21 0.00 0.00 61.69 58.51 2jnc s THR 63 Cb 0.00 -2.66 -0.00 0.00 -1.51 0.00 0.00 72.50 68.33 2jnc s THR 63 CO 0.00 0.00 -0.12 -0.22 -2.21 0.00 0.00 174.62 172.07 2jnc s LEU 64 N -3.69 1.91 0.00 9.08 2.96 -1.26 -0.66 118.68 127.02 2jnc s LEU 64 Ca 0.26 -0.24 0.01 0.00 -0.22 0.00 0.00 54.13 53.94 2jnc s LEU 64 Cb 0.07 -0.68 -0.00 0.00 0.50 0.00 0.00 46.19 46.08 2jnc s LEU 64 CO 0.13 0.12 0.03 -0.67 -1.32 0.00 0.00 176.35 174.64 2jnc n ASP 65 N 3.04 2.33 -0.19 3.68 -0.08 -1.26 -5.04 116.55 119.04 2jnc n ASP 65 Ca -0.16 -2.45 -0.00 0.00 -1.51 0.00 0.00 54.79 50.66 2jnc n ASP 65 Cb 0.55 0.38 0.09 0.00 2.34 0.00 0.00 41.12 44.47 2jnc n ASP 65 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 2jnc h GLN 66 N 0.00 0.10 -6.45 -0.67 4.20 -2.03 -3.34 115.11 106.91 2jnc h GLN 66 Ca -0.25 -0.01 -0.55 0.00 0.06 0.00 0.00 58.65 57.90 2jnc h GLN 66 Cb 0.83 -0.02 -0.06 0.00 0.30 0.00 0.00 27.48 28.53 2jnc h GLN 66 CO 0.42 0.06 1.09 0.96 -0.67 0.00 0.00 178.83 180.69 2jnc s ILE 67 N -6.16 3.83 -0.27 2.54 -4.36 -1.26 -4.89 121.20 110.63 2jnc s ILE 67 Ca -0.14 0.77 -0.02 0.00 -0.26 0.00 0.00 60.65 61.00 2jnc s ILE 67 Cb 0.18 -4.34 -0.03 0.00 1.25 0.00 0.00 42.46 39.52 2jnc s ILE 67 CO 0.73 -1.01 1.38 0.61 0.24 0.00 0.00 174.94 176.90 2jnc n GLY 68 N 5.19 2.04 0.01 6.27 0.00 -1.26 -4.11 105.19 113.33 2jnc n GLY 68 Ca 0.14 -0.32 0.11 0.00 0.00 0.00 0.00 46.02 45.95 2jnc n GLY 68 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2jnc n THR 69 N 4.20 0.06 -2.04 2.61 5.66 -1.26 -5.07 114.28 118.43 2jnc n THR 69 Ca 0.16 -0.20 0.00 0.00 -3.05 0.00 0.00 64.05 60.95 2jnc n THR 69 Cb 0.09 0.46 0.00 0.00 -1.55 0.00 0.00 70.33 69.33 2jnc n THR 69 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2jnc s TRP 71 N -0.49 3.87 0.00 0.00 0.52 0.17 -5.00 118.94 118.01 2jnc s TRP 71 Ca 0.00 -2.93 0.00 0.00 0.02 0.00 0.00 56.10 53.19 2jnc s TRP 71 Cb 0.00 -3.31 0.00 0.00 -1.15 0.00 0.00 33.47 29.01 2jnc s TRP 71 CO 0.00 -0.78 0.00 -0.35 0.02 0.00 0.00 176.95 175.84 2jnc n PRO 72 N 2.55 0.78 -1.69 4.98 -0.04 -1.26 0.11 135.00 140.43 2jnc n PRO 72 Ca 0.20 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.25 2jnc n PRO 72 Cb 0.38 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 33.85 2jnc n PRO 72 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jnc n GLN 73 N -0.36 1.78 0.00 0.54 0.00 -1.26 -4.15 117.38 113.93 2jnc n GLN 73 Ca 0.00 0.64 0.00 0.00 0.00 0.00 0.00 57.00 57.64 2jnc n GLN 73 Cb 0.00 -2.34 0.00 0.00 0.00 0.00 0.00 30.24 27.90 2jnc n GLN 73 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2jnc n SER 74 N 0.12 0.00 0.00 2.61 2.88 -1.03 -4.88 113.62 113.32 2jnc n SER 74 Ca 0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 2jnc n SER 74 Cb 0.40 0.16 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 2jnc n SER 74 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jnc n ALA 75 N -2.02 0.00 -2.01 -1.46 0.00 -1.26 -4.74 120.51 109.02 2jnc n ALA 75 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 2jnc n ALA 75 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 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 -1.30 2.53 0.00 0.00 0.04 -1.26 -3.29 135.00 131.73 2jnc s PRO 76 Ca 0.00 0.24 0.00 0.00 0.04 0.00 0.00 61.00 61.28 2jnc s PRO 76 Cb 0.00 -4.71 0.00 0.00 0.04 0.00 0.00 34.50 29.83 2jnc s PRO 76 CO 0.00 -3.10 0.00 0.41 0.04 0.00 0.00 177.00 174.35 2jnc n GLY 77 N 6.26 0.88 3.08 0.56 0.00 0.12 -4.28 105.19 111.81 2jnc n GLY 77 Ca 0.31 -0.83 -0.13 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.89 -0.49 -0.00 4.61 0.00 0.22 -4.85 121.76 119.35 2jnc s ALA 78 Ca 0.00 0.57 -0.15 0.00 0.00 0.00 0.00 51.96 52.38 2jnc s ALA 78 Cb 0.00 -0.33 -0.06 0.00 0.00 0.00 0.00 23.12 22.73 2jnc s ALA 78 CO 0.00 -0.10 0.40 -1.17 0.00 0.00 0.00 175.76 174.90 2jnc s LEU 79 N 0.13 4.47 -0.11 0.00 0.20 -1.26 0.75 118.68 122.86 2jnc s LEU 79 Ca -0.00 0.95 0.03 0.00 0.69 0.00 0.00 54.13 55.80 2jnc s LEU 79 Cb -0.02 -2.57 0.01 0.00 -0.43 0.00 0.00 46.19 43.18 2jnc s LEU 79 CO 0.00 0.33 -0.20 -0.69 -0.29 0.00 0.00 176.35 175.50 2jnc s VAL 80 N -1.08 1.86 -0.06 1.68 1.01 0.59 -4.96 120.40 119.44 2jnc s VAL 80 Ca 0.24 -0.88 -0.12 0.00 0.00 0.00 0.00 61.98 61.22 2jnc s VAL 80 Cb -0.17 -1.64 -0.05 0.00 0.00 0.00 0.00 36.38 34.52 2jnc s VAL 80 CO 0.13 0.51 0.31 -0.70 0.00 0.00 0.00 175.10 175.36 2jnc s GLU 81 N 0.69 3.81 0.10 2.72 2.12 -1.26 0.95 118.70 127.82 2jnc s GLU 81 Ca -0.11 0.21 -0.07 0.00 0.36 0.00 0.00 54.97 55.36 2jnc s GLU 81 Cb -0.16 -3.23 -0.01 0.00 0.26 0.00 0.00 34.13 30.98 2jnc s GLU 81 CO 0.02 0.67 0.16 1.03 -0.54 0.00 0.00 175.26 176.60 2jnc s ARG 82 N -0.88 0.88 0.00 4.30 1.81 -0.49 -4.96 118.95 119.60 2jnc s ARG 82 Ca 0.20 -1.10 0.00 0.00 -1.72 0.00 0.00 55.73 53.11 2jnc s ARG 82 Cb -0.15 0.32 0.00 0.00 -0.45 0.00 0.00 34.95 34.67 2jnc s ARG 82 CO 0.09 -0.27 0.00 -0.35 -0.68 0.00 0.00 175.30 174.09 2jnc n PRO 83 N -0.07 0.00 0.00 3.54 -0.04 -1.26 0.28 135.00 137.45 2jnc n PRO 83 Ca -0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 2jnc n PRO 83 Cb 0.62 -0.42 0.00 0.00 -0.04 0.00 0.00 33.50 33.66 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 -2.00 4.25 -0.01 0.00 0.04 -1.26 -5.00 135.00 131.02 2jnc s PRO 85 Ca 0.00 1.68 0.03 0.00 0.04 0.00 0.00 61.00 62.75 2jnc s PRO 85 Cb 0.00 -2.74 -0.00 0.00 0.04 0.00 0.00 34.50 31.79 2jnc s PRO 85 CO 0.00 -0.11 -0.10 -2.00 0.04 0.00 0.00 177.00 174.83 2jnc s GLU 86 N -2.17 0.92 -1.44 4.56 2.12 -1.26 -4.79 118.70 116.64 2jnc s GLU 86 Ca 0.54 -0.37 -0.08 0.00 0.36 0.00 0.00 54.97 55.43 2jnc s GLU 86 Cb -0.27 -0.87 0.02 0.00 0.26 0.00 0.00 34.13 33.26 2jnc s GLU 86 CO 0.34 0.20 0.96 0.98 -0.54 0.00 0.00 175.26 177.20 2jnc n TYR 87 N 2.96 -2.52 -3.62 5.30 4.19 -1.26 -5.01 117.16 117.20 2jnc n TYR 87 Ca -0.15 0.83 -0.22 0.00 3.31 0.00 0.00 57.90 61.67 2jnc n TYR 87 Cb 0.56 -4.74 -0.02 0.00 0.49 0.00 0.00 39.34 35.63 2jnc n TYR 87 CO 0.00 0.00 0.00 -0.06 0.91 0.00 0.00 176.86 177.71 2jnc s PHE 88 N -3.26 2.31 0.04 2.98 0.08 -1.26 -5.03 117.98 113.85 2jnc s PHE 88 Ca 0.50 -0.61 0.00 0.00 0.12 0.00 0.00 56.93 56.94 2jnc s PHE 88 Cb -0.22 -2.10 0.00 0.00 -0.57 0.00 0.00 43.02 40.12 2jnc s PHE 88 CO 0.61 -0.29 0.00 0.09 -0.10 0.00 0.00 175.22 175.53 2jnc n ASN 89 N -1.65 -5.76 -2.05 1.36 5.03 -1.26 -3.89 115.26 107.03 2jnc n ASN 89 Ca 0.03 0.20 -0.23 0.00 0.87 0.00 0.00 54.58 55.45 2jnc n ASN 89 Cb 0.62 -0.57 0.08 0.00 -1.02 0.00 0.00 39.78 38.90 2jnc n ASN 89 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2jnc n GLY 90 N -0.56 4.63 3.15 7.41 0.00 -1.26 -4.92 105.19 113.64 2jnc n GLY 90 Ca 0.00 -1.42 -0.10 0.00 0.00 0.00 0.00 46.02 44.51 2jnc n GLY 90 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2jnc s ILE 91 N -3.22 0.10 -0.44 -0.61 -0.00 -1.25 -5.10 121.20 110.68 2jnc s ILE 91 Ca 0.46 -1.90 0.09 0.00 -0.00 0.00 0.00 60.65 59.31 2jnc s ILE 91 Cb 0.37 -2.05 0.34 0.00 -0.00 0.00 0.00 42.46 41.12 2jnc s ILE 91 CO 0.02 -0.45 0.79 1.17 -0.00 0.00 0.00 174.94 176.47 2jnc n LYS 92 N -0.10 1.69 -3.80 0.37 0.00 -1.26 -4.57 118.16 110.49 2jnc n LYS 92 Ca -0.05 -3.86 -0.12 0.00 0.00 0.00 0.00 58.31 54.27 2jnc n LYS 92 Cb 0.64 -1.86 -0.09 0.00 0.00 0.00 0.00 35.03 33.72 2jnc n LYS 92 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.40 178.92 2jnc s TYR 93 N -2.68 -0.11 0.11 5.64 1.13 -1.26 -5.12 117.35 115.05 2jnc s TYR 93 Ca 0.42 0.16 0.00 0.00 -1.41 0.00 0.00 57.07 56.25 2jnc s TYR 93 Cb 0.31 0.05 0.00 0.00 -1.10 0.00 0.00 41.96 41.22 2jnc s TYR 93 CO -0.10 -0.33 0.00 0.09 -2.51 0.00 0.00 175.55 172.70 2jnc n ASN 94 N 1.48 -2.39 0.14 -0.18 4.13 -1.26 -4.76 115.26 112.42 2jnc n ASN 94 Ca -0.21 0.27 0.00 0.00 1.68 0.00 0.00 54.58 56.31 2jnc n ASN 94 Cb 0.56 -0.17 0.00 0.00 -1.54 0.00 0.00 39.78 38.63 2jnc n ASN 94 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 2jnc n THR 95 N -1.09 0.00 -2.01 3.41 -2.24 -1.26 -4.73 114.28 106.36 2jnc n THR 95 Ca 0.00 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.50 2jnc n THR 95 Cb 0.01 -0.03 -0.05 0.00 -2.10 0.00 0.00 70.33 68.17 2jnc n THR 95 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2jnc s THR 96 N -2.00 3.40 0.33 4.28 -4.23 -1.26 -4.78 115.64 111.38 2jnc s THR 96 Ca 0.00 -0.25 0.03 0.00 -1.18 0.00 0.00 61.69 60.30 2jnc s THR 96 Cb 0.00 -3.92 -0.02 0.00 1.34 0.00 0.00 72.50 69.90 2jnc s THR 96 CO 0.00 -0.87 0.35 -0.13 -0.54 0.00 0.00 174.62 173.43 2jnc s ARG 97 N 7.15 1.80 -0.06 3.99 1.81 -1.26 -5.12 118.95 127.25 2jnc s ARG 97 Ca 0.71 -1.91 0.04 0.00 -1.72 0.00 0.00 55.73 52.85 2jnc s ARG 97 Cb -0.08 0.37 -0.02 0.00 -0.45 0.00 0.00 34.95 34.77 2jnc s ARG 97 CO 0.04 -0.70 -0.19 -0.80 -0.68 0.00 0.00 175.30 172.97 2jnc s ASN 98 N -3.32 3.62 -0.58 0.23 0.01 -1.17 -4.09 114.94 109.64 2jnc s ASN 98 Ca 0.37 -0.35 0.04 0.00 -0.71 0.00 0.00 52.86 52.21 2jnc s ASN 98 Cb 0.01 -0.93 0.15 0.00 0.41 0.00 0.00 41.25 40.89 2jnc s ASN 98 CO 0.24 0.28 0.35 0.00 -1.51 0.00 0.00 177.10 176.46 2jnc s ALA 99 N -0.35 3.30 -0.06 0.60 0.00 0.20 -4.38 121.76 121.07 2jnc s ALA 99 Ca 0.03 -3.39 -0.25 0.00 0.00 0.00 0.00 51.96 48.35 2jnc s ALA 99 Cb -0.12 -2.11 -0.03 0.00 0.00 0.00 0.00 23.12 20.85 2jnc s ALA 99 CO 0.02 -2.05 0.76 0.71 0.00 0.00 0.00 175.76 175.20 2jnc s TYR 100 N -0.66 3.58 0.19 0.00 2.02 -1.26 -1.40 117.35 119.84 2jnc s TYR 100 Ca 0.21 1.33 0.09 0.00 -0.37 0.00 0.00 57.07 58.33 2jnc s TYR 100 Cb -0.16 -2.87 -0.04 0.00 -0.40 0.00 0.00 41.96 38.48 2jnc s TYR 100 CO -0.07 0.05 -0.18 1.03 -1.57 0.00 0.00 175.55 174.81 2jnc s ARG 101 N 0.91 1.37 0.11 -0.62 1.81 0.27 0.91 118.95 123.70 2jnc s ARG 101 Ca 0.40 -1.52 0.06 0.00 -1.72 0.00 0.00 55.73 52.96 2jnc s ARG 101 Cb -0.18 -1.38 -0.04 0.00 -0.45 0.00 0.00 34.95 32.90 2jnc s ARG 101 CO 0.20 0.27 -0.15 -1.21 -0.68 0.00 0.00 175.30 173.72 2jnc s GLU 102 N -3.10 0.99 -0.30 3.54 8.01 -1.26 0.22 118.70 126.79 2jnc s GLU 102 Ca 0.20 -1.16 0.01 0.00 0.01 0.00 0.00 54.97 54.03 2jnc s GLU 102 Cb -0.05 -0.96 0.07 0.00 -4.31 0.00 0.00 34.13 28.88 2jnc s GLU 102 CO 0.08 0.20 -0.02 0.00 0.01 0.00 0.00 175.26 175.53 2jnc n LEU 104 N 4.46 1.96 0.27 0.00 7.99 0.54 0.15 117.00 132.36 2jnc n LEU 104 Ca -0.09 1.00 0.18 0.00 -0.01 0.00 0.00 56.01 57.09 2jnc n LEU 104 Cb 0.42 -1.29 0.90 0.00 -0.11 0.00 0.00 43.42 43.34 2jnc n LEU 104 CO 0.24 -1.84 1.15 -0.33 -1.51 0.00 0.00 177.39 175.10 2jnc h GLU 105 N 1.33 0.00 -0.02 3.23 3.07 -1.87 0.38 114.58 120.71 2jnc h GLU 105 Ca -0.43 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.43 2jnc h GLU 105 Cb 1.35 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.26 2jnc h GLU 105 CO 0.55 0.00 0.00 -1.71 -1.40 0.00 0.00 179.01 176.45 2jnc n ASN 106 N -3.31 0.79 -0.11 1.42 4.05 -1.26 -4.39 115.26 112.44 2jnc n ASN 106 Ca 0.00 -1.29 0.00 0.00 0.45 0.00 0.00 54.58 53.74 2jnc n ASN 106 Cb 0.33 -0.01 0.00 0.00 1.23 0.00 0.00 39.78 41.33 2jnc n ASN 106 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2jnc n GLY 107 N 1.08 1.08 3.35 8.20 0.00 0.13 -5.06 105.19 113.96 2jnc n GLY 107 Ca 0.21 -0.42 -0.26 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.22 2.04 -0.17 2.61 -4.23 -1.18 -3.99 115.64 108.49 2jnc s THR 108 Ca 0.00 -1.73 -0.16 0.00 -1.18 0.00 0.00 61.69 58.63 2jnc s THR 108 Cb 0.00 -1.84 -0.04 0.00 1.34 0.00 0.00 72.50 71.96 2jnc s THR 108 CO 0.00 -0.02 0.39 0.26 -0.54 0.00 0.00 174.62 174.71 2jnc s TRP 109 N -1.24 3.43 0.51 3.99 0.23 -1.26 0.20 118.94 124.79 2jnc s TRP 109 Ca 0.12 0.67 -0.11 0.00 -2.03 0.00 0.00 56.10 54.76 2jnc s TRP 109 Cb -0.09 -2.49 -0.05 0.00 0.03 0.00 0.00 33.47 30.87 2jnc s TRP 109 CO 0.06 0.09 0.89 0.00 0.96 0.00 0.00 176.95 178.95 2jnc s ALA 110 N 0.95 3.23 -0.62 0.98 0.00 0.23 -4.92 121.76 121.61 2jnc s ALA 110 Ca 0.20 -0.17 0.01 0.00 0.00 0.00 0.00 51.96 52.00 2jnc s ALA 110 Cb -0.14 -2.87 0.41 0.00 0.00 0.00 0.00 23.12 20.52 2jnc s ALA 110 CO 0.07 -0.33 1.69 0.45 0.00 0.00 0.00 175.76 177.64 2jnc n SER 111 N -2.01 6.52 0.00 0.00 2.88 -1.26 -4.43 113.62 115.32 2jnc n SER 111 Ca 0.04 -3.79 0.00 0.00 -1.33 0.00 0.00 58.87 53.79 2jnc n SER 111 Cb 0.54 -0.79 0.00 0.00 -0.75 0.00 0.00 64.21 63.21 2jnc n SER 111 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2jnc n ARG 112 N -0.65 0.00 -1.33 -1.46 1.74 -1.26 -4.88 116.66 108.82 2jnc n ARG 112 Ca 0.51 0.19 -0.13 0.00 -0.77 0.00 0.00 57.85 57.66 2jnc n ARG 112 Cb 0.56 -0.89 -0.05 0.00 -1.02 0.00 0.00 32.46 31.06 2jnc n ARG 112 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 2jnc n VAL 113 N -1.07 0.00 -2.26 1.55 3.14 0.26 -2.32 118.33 117.62 2jnc n VAL 113 Ca 0.00 0.00 -0.06 0.00 -2.96 0.00 0.00 64.34 61.32 2jnc n VAL 113 Cb 0.00 -1.27 -0.01 0.00 -1.06 0.00 0.00 33.84 31.50 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 -0.51 -2.19 -0.28 6.55 5.15 -1.03 -4.00 115.26 118.96 2jnc n ASN 114 Ca -0.13 0.33 0.09 0.00 -0.60 0.00 0.00 54.58 54.27 2jnc n ASN 114 Cb 0.45 -1.99 0.24 0.00 -0.53 0.00 0.00 39.78 37.95 2jnc n ASN 114 CO 0.00 0.00 0.00 1.88 1.40 0.00 0.00 177.26 180.54 2jnc h TYR 115 N 0.00 0.40 -0.88 1.20 0.05 -1.75 1.50 116.97 117.49 2jnc h TYR 115 Ca -0.13 0.04 0.15 0.00 0.05 0.00 0.00 58.73 58.84 2jnc h TYR 115 Cb 0.98 -0.05 -0.09 0.00 1.01 0.00 0.00 36.73 38.58 2jnc h TYR 115 CO 0.70 -0.10 0.48 0.77 -1.05 0.00 0.00 178.16 178.96 2jnc h SER 116 N 0.29 0.61 0.24 3.88 0.02 -1.86 0.54 113.55 117.27 2jnc h SER 116 Ca 0.49 0.09 -0.19 0.00 -0.84 0.00 0.00 61.79 61.33 2jnc h SER 116 Cb 0.90 -0.02 -0.04 0.00 0.14 0.00 0.00 62.40 63.39 2jnc h SER 116 CO -0.55 0.26 -1.94 1.57 -1.14 0.00 0.00 176.83 175.02 2jnc n HIS 117 N -4.83 0.33 0.11 3.45 -0.00 0.02 -4.26 115.22 110.04 2jnc n HIS 117 Ca 0.18 0.11 -0.03 0.00 -0.00 0.00 0.00 57.72 57.98 2jnc n HIS 117 Cb 0.44 -0.88 0.06 0.00 -0.00 0.00 0.00 29.99 29.61 2jnc n HIS 117 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2jnc n GLU 119 N -3.55 -1.41 -0.57 0.00 1.02 0.19 -4.87 120.64 111.45 2jnc n GLU 119 Ca -0.00 1.15 -0.29 0.00 -0.02 0.00 0.00 57.16 58.00 2jnc n GLU 119 Cb 0.74 -1.65 0.26 0.00 -0.02 0.00 0.00 31.44 30.77 2jnc n GLU 119 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2jnc s PRO 120 N -3.47 -1.41 0.00 3.49 0.04 -1.26 -4.96 135.00 127.43 2jnc s PRO 120 Ca 0.00 0.58 0.00 0.00 0.04 0.00 0.00 61.00 61.62 2jnc s PRO 120 Cb 0.00 -1.52 0.00 0.00 0.04 0.00 0.00 34.50 33.02 2jnc s PRO 120 CO 0.00 -3.99 0.00 1.51 0.04 0.00 0.00 177.00 174.56