#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jnc s HIS 46 N 0.00 2.29 -0.23 0.00 0.00 -1.25 -4.98 115.29 111.12 2jnc s HIS 46 Ca 0.00 1.56 -0.08 0.00 -3.00 0.00 0.00 55.06 53.53 2jnc s HIS 46 Cb 0.00 -3.42 -0.18 0.00 -4.00 0.00 0.00 32.58 24.98 2jnc s HIS 46 CO 0.00 -2.29 -0.08 2.89 -1.00 0.00 0.00 174.74 174.27 2jnc n ARG 47 N -2.20 0.64 -1.88 -0.38 1.85 -1.26 -4.82 116.66 108.61 2jnc n ARG 47 Ca 0.13 0.28 -0.04 0.00 -1.00 0.00 0.00 57.85 57.22 2jnc n ARG 47 Cb 0.50 -1.59 0.04 0.00 -1.05 0.00 0.00 32.46 30.37 2jnc n ARG 47 CO 0.00 0.00 0.00 -2.37 -0.01 0.00 0.00 177.63 175.25 2jnc n THR 48 N -3.79 0.00 -4.41 8.89 5.66 -1.26 -5.14 114.28 114.23 2jnc n THR 48 Ca -0.44 -0.53 -0.33 0.00 -3.05 0.00 0.00 64.05 59.71 2jnc n THR 48 Cb 0.92 0.74 -0.10 0.00 -1.55 0.00 0.00 70.33 70.35 2jnc n THR 48 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2jnc s THR 49 N 0.07 3.98 0.38 1.09 -4.23 -1.25 -4.70 115.64 110.98 2jnc s THR 49 Ca 0.05 -0.54 0.00 0.00 -1.18 0.00 0.00 61.69 60.02 2jnc s THR 49 Cb 0.24 -2.72 0.00 0.00 1.34 0.00 0.00 72.50 71.36 2jnc s THR 49 CO -0.07 0.47 0.00 0.00 -0.54 0.00 0.00 174.62 174.48 2jnc n ILE 50 N 1.75 0.00 0.00 2.99 0.13 0.29 -4.80 119.36 119.72 2jnc n ILE 50 Ca -0.16 0.16 0.00 0.00 -1.10 0.00 0.00 62.75 61.65 2jnc n ILE 50 Cb 0.53 -0.64 0.00 0.00 -0.84 0.00 0.00 39.64 38.69 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 -4.19 1.58 1.59 4.50 0.00 -1.26 -4.73 105.19 102.68 2jnc n GLY 51 Ca -0.01 -0.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.89 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 3.74 1.46 -3.25 1.61 2.85 -1.26 -4.96 115.26 115.45 2jnc n ASN 52 Ca 0.00 -1.74 -0.23 0.00 -0.11 0.00 0.00 54.58 52.50 2jnc n ASN 52 Cb 0.00 -0.07 -0.03 0.00 1.24 0.00 0.00 39.78 40.93 2jnc n ASN 52 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 2jnc n PHE 53 N -1.19 1.08 -2.73 1.20 3.72 -1.26 -4.16 117.46 114.11 2jnc n PHE 53 Ca 0.02 -1.52 -0.07 0.00 -0.05 0.00 0.00 57.45 55.82 2jnc n PHE 53 Cb 0.26 -1.39 0.06 0.00 -0.94 0.00 0.00 39.48 37.47 2jnc n PHE 53 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2jnc n SER 54 N 5.32 -2.60 0.00 4.37 2.88 -1.26 -5.07 113.62 117.26 2jnc n SER 54 Ca 0.36 -3.09 0.00 0.00 -1.33 0.00 0.00 58.87 54.81 2jnc n SER 54 Cb 0.17 1.67 0.00 0.00 -0.75 0.00 0.00 64.21 65.30 2jnc n SER 54 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jnc n GLY 55 N 1.52 -1.21 4.02 0.46 0.00 -1.26 0.10 105.19 108.83 2jnc n GLY 55 Ca 0.07 -0.85 -0.21 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.43 2.00 0.25 1.61 0.04 -1.26 -4.92 135.00 132.29 2jnc s PRO 56 Ca 0.00 -1.51 0.05 0.00 0.04 0.00 0.00 61.00 59.58 2jnc s PRO 56 Cb 0.00 -2.52 -0.05 0.00 0.04 0.00 0.00 34.50 31.96 2jnc s PRO 56 CO 0.00 -1.14 -0.04 -0.47 0.04 0.00 0.00 177.00 175.38 2jnc s TYR 57 N -2.87 1.74 -0.95 0.56 5.04 -1.26 -4.75 117.35 114.86 2jnc s TYR 57 Ca 0.64 -0.79 0.00 0.00 -2.44 0.00 0.00 57.07 54.49 2jnc s TYR 57 Cb -0.05 -0.98 0.00 0.00 0.35 0.00 0.00 41.96 41.28 2jnc s TYR 57 CO 0.42 0.14 0.00 2.41 -1.34 0.00 0.00 175.55 177.18 2jnc n THR 58 N -0.48 -0.34 -3.55 4.34 -1.04 -0.78 -4.88 114.28 107.55 2jnc n THR 58 Ca -0.06 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 61.78 2jnc n THR 58 Cb 0.63 -1.32 -0.06 0.00 -1.82 0.00 0.00 70.33 67.76 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 -2.32 -0.60 0.81 -1.42 2.02 -1.22 -3.61 117.35 111.02 2jnc s TYR 59 Ca 0.00 1.01 -0.12 0.00 -0.37 0.00 0.00 57.07 57.59 2jnc s TYR 59 Cb 0.00 0.37 0.09 0.00 -0.40 0.00 0.00 41.96 42.02 2jnc s TYR 59 CO 0.00 -0.59 1.18 0.00 -1.57 0.00 0.00 175.55 174.57 2jnc s ASN 61 N -4.61 -0.23 -0.94 0.00 2.47 -1.26 -3.88 114.94 106.50 2jnc s ASN 61 Ca 0.63 0.39 -0.21 0.00 0.42 0.00 0.00 52.86 54.09 2jnc s ASN 61 Cb -0.10 0.47 -0.25 0.00 -1.45 0.00 0.00 41.25 39.92 2jnc s ASN 61 CO 0.49 -0.16 2.42 0.41 -3.72 0.00 0.00 177.10 176.54 2jnc n THR 62 N 2.58 -0.01 -4.20 -5.21 -1.04 -0.86 -4.49 114.28 101.06 2jnc n THR 62 Ca -0.15 -0.32 -0.12 0.00 -2.04 0.00 0.00 64.05 61.42 2jnc n THR 62 Cb 0.58 -0.61 -0.10 0.00 -1.82 0.00 0.00 70.33 68.38 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 6.00 0.11 0.10 12.58 -1.32 -0.33 -3.88 115.64 128.89 2jnc s THR 63 Ca 1.28 -1.97 0.04 0.00 -1.21 0.00 0.00 61.69 59.82 2jnc s THR 63 Cb -0.90 -2.36 -0.04 0.00 -1.51 0.00 0.00 72.50 67.69 2jnc s THR 63 CO 0.47 -0.16 0.06 -0.22 -2.21 0.00 0.00 174.62 172.56 2jnc s LEU 64 N -3.14 3.67 -0.29 9.08 0.20 -1.26 0.21 118.68 127.15 2jnc s LEU 64 Ca 0.34 -0.10 -0.14 0.00 0.69 0.00 0.00 54.13 54.92 2jnc s LEU 64 Cb 0.07 -2.36 0.13 0.00 -0.43 0.00 0.00 46.19 43.60 2jnc s LEU 64 CO 0.09 0.16 0.79 -0.62 -0.29 0.00 0.00 176.35 176.47 2jnc s ASP 65 N -2.47 -0.86 0.00 3.68 -1.08 -1.25 -4.99 116.67 109.71 2jnc s ASP 65 Ca 0.28 1.26 0.00 0.00 -0.52 0.00 0.00 52.55 53.57 2jnc s ASP 65 Cb -0.12 1.72 0.00 0.00 -1.46 0.00 0.00 42.92 43.07 2jnc s ASP 65 CO 0.21 -0.19 0.00 0.00 0.52 0.00 0.00 175.17 175.71 2jnc n GLN 66 N 4.73 0.00 -3.80 4.34 1.13 -1.26 -4.77 117.38 117.74 2jnc n GLN 66 Ca -0.15 0.00 -0.21 0.00 -1.94 0.00 0.00 57.00 54.70 2jnc n GLN 66 Cb 0.54 0.00 -0.04 0.00 0.11 0.00 0.00 30.24 30.85 2jnc n GLN 66 CO 0.00 0.00 0.00 0.96 -1.44 0.00 0.00 177.06 176.58 2jnc s ILE 67 N 0.00 3.22 -1.08 5.09 -4.36 -1.26 -5.00 121.20 117.81 2jnc s ILE 67 Ca 0.00 -1.42 -0.10 0.00 -0.26 0.00 0.00 60.65 58.87 2jnc s ILE 67 Cb 0.00 -3.11 -0.07 0.00 1.25 0.00 0.00 42.46 40.53 2jnc s ILE 67 CO 0.00 -0.13 2.26 0.61 0.24 0.00 0.00 174.94 177.92 2jnc n GLY 68 N -1.38 3.37 2.87 6.27 0.00 -1.26 -4.82 105.19 110.24 2jnc n GLY 68 Ca -0.01 -1.12 -0.12 0.00 0.00 0.00 0.00 46.02 44.77 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 3.42 0.01 -0.25 2.61 -1.32 -1.26 -5.04 115.64 113.82 2jnc s THR 69 Ca 0.50 0.00 -0.13 0.00 -1.21 0.00 0.00 61.69 60.85 2jnc s THR 69 Cb 0.13 -0.02 -0.05 0.00 -1.51 0.00 0.00 72.50 71.05 2jnc s THR 69 CO -0.02 0.01 0.26 0.00 -2.21 0.00 0.00 174.62 172.66 2jnc s TRP 71 N 1.46 3.20 1.38 0.00 0.52 0.56 -4.77 118.94 121.29 2jnc s TRP 71 Ca 0.11 -1.20 -0.22 0.00 0.02 0.00 0.00 56.10 54.81 2jnc s TRP 71 Cb -0.15 -3.80 0.35 0.00 -1.15 0.00 0.00 33.47 28.73 2jnc s TRP 71 CO 0.08 -1.06 0.97 -1.25 0.02 0.00 0.00 176.95 175.71 2jnc s PRO 72 N 1.81 -2.61 0.04 4.98 0.04 -1.26 -1.18 135.00 136.82 2jnc s PRO 72 Ca 0.05 0.08 -0.31 0.00 0.04 0.00 0.00 61.00 60.86 2jnc s PRO 72 Cb -0.28 -1.42 -0.07 0.00 0.04 0.00 0.00 34.50 32.77 2jnc s PRO 72 CO 0.04 -4.66 1.48 -1.14 0.04 0.00 0.00 177.00 172.76 2jnc s GLN 73 N -5.16 4.26 0.00 4.56 -0.44 -1.25 -4.02 119.66 117.61 2jnc s GLN 73 Ca 0.69 2.11 0.00 0.00 -2.50 0.00 0.00 55.36 55.66 2jnc s GLN 73 Cb -0.12 -3.51 0.00 0.00 -1.64 0.00 0.00 33.01 27.73 2jnc s GLN 73 CO 0.57 -0.60 0.00 0.45 0.50 0.00 0.00 175.29 176.21 2jnc n SER 74 N 5.16 0.00 -3.69 6.67 2.88 -1.25 -4.93 113.62 118.47 2jnc n SER 74 Ca 0.14 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.54 2jnc n SER 74 Cb 0.42 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.81 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 -2.00 -1.04 -0.59 -1.46 0.00 -1.26 -4.69 121.76 110.72 2jnc s ALA 75 Ca 0.00 0.50 -0.26 0.00 0.00 0.00 0.00 51.96 52.20 2jnc s ALA 75 Cb 0.00 0.15 -0.03 0.00 0.00 0.00 0.00 23.12 23.24 2jnc s ALA 75 CO 0.00 -0.34 1.97 -1.25 0.00 0.00 0.00 175.76 176.14 2jnc s PRO 76 N -1.68 2.52 0.00 0.00 0.04 -1.24 -3.22 135.00 131.43 2jnc s PRO 76 Ca -0.10 0.77 0.00 0.00 0.04 0.00 0.00 61.00 61.71 2jnc s PRO 76 Cb -0.03 -4.43 0.00 0.00 0.04 0.00 0.00 34.50 30.08 2jnc s PRO 76 CO 0.03 -2.84 0.00 0.41 0.04 0.00 0.00 177.00 174.64 2jnc n GLY 77 N 5.76 0.70 3.21 0.56 0.00 0.32 -4.45 105.19 111.29 2jnc n GLY 77 Ca 0.24 -0.40 -0.13 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.53 -0.68 -0.14 4.61 0.00 -0.70 -4.95 121.76 118.38 2jnc s ALA 78 Ca 0.00 0.26 -0.17 0.00 0.00 0.00 0.00 51.96 52.05 2jnc s ALA 78 Cb 0.00 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 2jnc s ALA 78 CO 0.00 -0.24 0.45 -1.17 0.00 0.00 0.00 175.76 174.80 2jnc s LEU 79 N -1.23 4.25 -0.05 0.00 1.98 -1.26 0.17 118.68 122.54 2jnc s LEU 79 Ca -0.13 0.74 0.05 0.00 -2.89 0.00 0.00 54.13 51.90 2jnc s LEU 79 Cb -0.06 -2.64 -0.02 0.00 0.66 0.00 0.00 46.19 44.14 2jnc s LEU 79 CO 0.03 -0.01 -0.20 -0.69 -1.89 0.00 0.00 176.35 173.60 2jnc s VAL 80 N 0.73 2.53 0.12 1.68 1.01 0.21 -4.92 120.40 121.76 2jnc s VAL 80 Ca 0.24 -0.91 0.06 0.00 0.00 0.00 0.00 61.98 61.37 2jnc s VAL 80 Cb -0.15 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 2jnc s VAL 80 CO 0.09 0.58 -0.03 -1.61 0.00 0.00 0.00 175.10 174.13 2jnc s GLU 81 N -0.42 2.39 0.02 2.72 2.02 -1.26 0.13 118.70 124.30 2jnc s GLU 81 Ca 0.04 -0.96 -0.01 0.00 0.02 0.00 0.00 54.97 54.07 2jnc s GLU 81 Cb -0.12 -2.43 -0.02 0.00 0.10 0.00 0.00 34.13 31.66 2jnc s GLU 81 CO 0.02 0.51 -0.01 1.03 0.02 0.00 0.00 175.26 176.82 2jnc s ARG 82 N -2.44 0.35 0.36 1.61 1.81 -0.46 -4.87 118.95 115.31 2jnc s ARG 82 Ca 0.25 -0.64 -0.28 0.00 -1.72 0.00 0.00 55.73 53.33 2jnc s ARG 82 Cb -0.11 0.13 -0.11 0.00 -0.45 0.00 0.00 34.95 34.40 2jnc s ARG 82 CO 0.17 -0.06 1.46 -0.35 -0.68 0.00 0.00 175.30 175.84 2jnc n PRO 83 N 1.46 2.56 -1.83 3.54 -0.04 -1.26 0.18 135.00 139.60 2jnc n PRO 83 Ca -0.23 0.90 -0.41 0.00 -0.04 0.00 0.00 63.50 63.72 2jnc n PRO 83 Cb 0.56 -2.60 -0.01 0.00 -0.04 0.00 0.00 33.50 31.40 2jnc n PRO 83 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jnc h PRO 85 N 3.68 0.00 -6.50 0.00 0.13 -1.90 -3.47 132.00 123.93 2jnc h PRO 85 Ca -0.49 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.13 2jnc h PRO 85 Cb 1.23 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.26 2jnc h PRO 85 CO 0.69 0.39 -0.82 -1.91 -0.23 0.00 0.00 178.00 176.12 2jnc n GLU 86 N -3.99 -4.04 0.00 0.86 2.13 -1.26 -4.53 120.64 109.80 2jnc n GLU 86 Ca -0.02 0.47 0.00 0.00 0.66 0.00 0.00 57.16 58.27 2jnc n GLU 86 Cb 0.43 -5.08 0.00 0.00 0.27 0.00 0.00 31.44 27.06 2jnc n GLU 86 CO 0.00 0.00 0.00 0.98 -0.41 0.00 0.00 177.13 177.70 2jnc n TYR 87 N -4.47 -0.76 0.27 4.31 9.36 -0.50 -4.13 117.16 121.23 2jnc n TYR 87 Ca -0.06 0.00 0.15 0.00 3.32 0.00 0.00 57.90 61.30 2jnc n TYR 87 Cb 0.56 0.15 0.78 0.00 -0.63 0.00 0.00 39.34 40.20 2jnc n TYR 87 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 2jnc h PHE 88 N 0.00 0.00 -0.55 2.98 -1.00 -1.82 0.19 116.94 116.74 2jnc h PHE 88 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 2jnc h PHE 88 Cb 0.00 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.56 2jnc h PHE 88 CO 0.00 0.00 0.00 0.09 -1.61 0.00 0.00 178.31 176.79 2jnc n ASN 89 N -2.64 3.49 -0.16 2.17 3.02 -1.26 -4.90 115.26 114.99 2jnc n ASN 89 Ca -0.02 -2.18 -0.02 0.00 -0.03 0.00 0.00 54.58 52.33 2jnc n ASN 89 Cb 0.23 -0.45 -0.01 0.00 -0.61 0.00 0.00 39.78 38.94 2jnc n ASN 89 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jnc n GLY 90 N 1.19 0.55 3.09 7.41 0.00 0.66 -5.02 105.19 113.07 2jnc n GLY 90 Ca 0.20 -0.49 -0.26 0.00 0.00 0.00 0.00 46.02 45.47 2jnc n GLY 90 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jnc s ILE 91 N -2.00 1.34 -0.67 -0.61 -1.09 -1.23 -5.03 121.20 111.91 2jnc s ILE 91 Ca 0.00 -0.63 0.02 0.00 -2.23 0.00 0.00 60.65 57.81 2jnc s ILE 91 Cb 0.00 -1.18 0.37 0.00 -1.58 0.00 0.00 42.46 40.07 2jnc s ILE 91 CO 0.00 0.40 1.48 1.17 -1.23 0.00 0.00 174.94 176.75 2jnc n LYS 92 N 3.46 3.46 0.00 2.79 4.81 -1.26 -1.41 118.16 130.01 2jnc n LYS 92 Ca -0.20 -4.27 0.00 0.00 -0.87 0.00 0.00 58.31 52.97 2jnc n LYS 92 Cb 0.53 -2.28 0.00 0.00 0.02 0.00 0.00 35.03 33.29 2jnc n LYS 92 CO 0.00 0.00 0.00 2.48 1.17 0.00 0.00 177.40 181.05 2jnc n TYR 93 N -0.40 0.00 -1.81 5.64 0.18 -1.26 -5.05 117.16 114.46 2jnc n TYR 93 Ca 0.44 0.00 0.00 0.00 1.88 0.00 0.00 57.90 60.22 2jnc n TYR 93 Cb 0.42 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.38 2jnc n TYR 93 CO 0.00 0.00 0.00 0.09 -2.08 0.00 0.00 176.86 174.87 2jnc n ASN 94 N 0.00 -7.77 0.00 9.48 4.13 -1.26 -4.63 115.26 115.21 2jnc n ASN 94 Ca 0.00 1.15 0.00 0.00 1.68 0.00 0.00 54.58 57.41 2jnc n ASN 94 Cb 0.00 -4.37 0.00 0.00 -1.54 0.00 0.00 39.78 33.87 2jnc n ASN 94 CO 0.00 0.00 0.00 1.07 0.28 0.00 0.00 177.26 178.61 2jnc n THR 95 N 1.58 0.00 -2.90 3.41 5.66 -1.22 -4.57 114.28 116.24 2jnc n THR 95 Ca 0.00 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.83 2jnc n THR 95 Cb 0.00 0.00 0.03 0.00 -1.55 0.00 0.00 70.33 68.81 2jnc n THR 95 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 2jnc n THR 96 N 0.00 -1.63 -4.23 1.09 -1.04 -1.26 -4.89 114.28 102.31 2jnc n THR 96 Ca 0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.88 2jnc n THR 96 Cb 0.00 -2.98 -0.10 0.00 -1.82 0.00 0.00 70.33 65.43 2jnc n THR 96 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jnc s ARG 97 N -5.49 1.18 0.10 -2.82 3.03 -1.26 -5.07 118.95 108.62 2jnc s ARG 97 Ca 0.26 -1.60 0.09 0.00 2.03 0.00 0.00 55.73 56.51 2jnc s ARG 97 Cb -0.11 -0.02 -0.04 0.00 -1.03 0.00 0.00 34.95 33.75 2jnc s ARG 97 CO 0.32 -0.27 -0.21 0.54 -1.13 0.00 0.00 175.30 174.55 2jnc s ASN 98 N -3.18 3.66 -0.38 -2.89 4.22 -1.26 -1.10 114.94 114.00 2jnc s ASN 98 Ca 0.32 -0.59 -0.19 0.00 -2.14 0.00 0.00 52.86 50.26 2jnc s ASN 98 Cb 0.07 -0.45 0.01 0.00 1.28 0.00 0.00 41.25 42.16 2jnc s ASN 98 CO 0.08 0.20 0.53 0.00 -2.04 0.00 0.00 177.10 175.87 2jnc s ALA 99 N -1.05 3.44 -0.55 3.54 0.00 0.48 -4.74 121.76 122.88 2jnc s ALA 99 Ca 0.16 -1.14 -0.26 0.00 0.00 0.00 0.00 51.96 50.72 2jnc s ALA 99 Cb -0.10 -3.09 0.03 0.00 0.00 0.00 0.00 23.12 19.96 2jnc s ALA 99 CO 0.07 -1.41 1.07 0.71 0.00 0.00 0.00 175.76 176.20 2jnc s TYR 100 N 2.45 2.73 -0.22 0.00 1.51 -1.26 -1.35 117.35 121.21 2jnc s TYR 100 Ca 0.19 0.28 -0.03 0.00 -1.01 0.00 0.00 57.07 56.50 2jnc s TYR 100 Cb -0.15 -4.29 0.00 0.00 -0.11 0.00 0.00 41.96 37.41 2jnc s TYR 100 CO 0.15 -1.42 -0.07 0.50 -1.11 0.00 0.00 175.55 173.60 2jnc s ARG 101 N 4.41 3.25 0.28 -0.62 3.52 0.35 -0.93 118.95 129.22 2jnc s ARG 101 Ca 0.38 -0.70 -0.28 0.00 -0.13 0.00 0.00 55.73 55.00 2jnc s ARG 101 Cb -0.10 -2.94 -0.09 0.00 -1.56 0.00 0.00 34.95 30.26 2jnc s ARG 101 CO 0.24 -0.23 0.96 -1.21 -0.81 0.00 0.00 175.30 174.25 2jnc s GLU 102 N 1.43 4.69 -0.40 5.12 2.02 -1.26 0.66 118.70 130.96 2jnc s GLU 102 Ca 0.05 1.46 -0.10 0.00 0.02 0.00 0.00 54.97 56.40 2jnc s GLU 102 Cb -0.14 -3.04 0.05 0.00 0.10 0.00 0.00 34.13 31.10 2jnc s GLU 102 CO -0.05 0.36 0.23 0.00 0.02 0.00 0.00 175.26 175.82 2jnc n LEU 104 N 4.95 2.66 0.19 0.00 7.99 0.46 0.12 117.00 133.37 2jnc n LEU 104 Ca -0.11 0.74 0.18 0.00 -0.01 0.00 0.00 56.01 56.81 2jnc n LEU 104 Cb 0.44 -1.32 0.77 0.00 -0.11 0.00 0.00 43.42 43.20 2jnc n LEU 104 CO 0.38 -2.33 1.16 -0.08 -1.51 0.00 0.00 177.39 175.00 2jnc h GLU 105 N 0.22 0.00 0.00 3.23 4.81 -1.88 0.89 114.58 121.84 2jnc h GLU 105 Ca -0.47 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 2jnc h GLU 105 Cb 1.37 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.75 2jnc h GLU 105 CO 0.48 0.00 -0.29 -0.97 -0.73 0.00 0.00 179.01 177.50 2jnc h ASN 106 N 0.00 0.00 0.00 1.04 -0.73 -1.88 -3.42 115.58 110.59 2jnc h ASN 106 Ca 0.12 -0.09 0.00 0.00 1.87 0.00 0.00 56.30 58.19 2jnc h ASN 106 Cb 0.92 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.51 2jnc h ASN 106 CO -0.00 0.05 0.00 0.61 -0.37 0.00 0.00 177.43 177.72 2jnc n GLY 107 N 1.31 1.17 4.00 1.57 0.00 0.31 -1.87 105.19 111.68 2jnc n GLY 107 Ca 0.04 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.88 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 2.81 -0.19 2.61 -4.23 -1.24 -3.40 115.64 110.00 2jnc s THR 108 Ca 0.00 -1.05 -0.08 0.00 -1.18 0.00 0.00 61.69 59.39 2jnc s THR 108 Cb 0.00 -2.86 -0.04 0.00 1.34 0.00 0.00 72.50 70.94 2jnc s THR 108 CO 0.00 0.00 0.07 0.26 -0.54 0.00 0.00 174.62 174.41 2jnc s TRP 109 N -2.42 3.26 -0.63 3.99 0.52 -1.26 0.17 118.94 122.57 2jnc s TRP 109 Ca 0.55 0.08 0.18 0.00 0.02 0.00 0.00 56.10 56.93 2jnc s TRP 109 Cb -0.08 -2.10 0.80 0.00 -1.15 0.00 0.00 33.47 30.93 2jnc s TRP 109 CO 0.33 0.14 1.55 0.00 0.02 0.00 0.00 176.95 178.99 2jnc n ALA 110 N 3.61 1.46 -1.30 0.98 0.00 0.30 -4.87 120.51 120.68 2jnc n ALA 110 Ca -0.16 0.06 -0.10 0.00 0.00 0.00 0.00 53.44 53.23 2jnc n ALA 110 Cb 0.52 -1.28 -0.04 0.00 0.00 0.00 0.00 19.45 18.64 2jnc n ALA 110 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2jnc n SER 111 N -1.95 -4.62 -0.12 0.00 3.41 -1.26 -4.91 113.62 104.17 2jnc n SER 111 Ca 0.02 0.26 -0.07 0.00 -0.26 0.00 0.00 58.87 58.81 2jnc n SER 111 Cb 0.15 -3.03 0.01 0.00 -0.26 0.00 0.00 64.21 61.08 2jnc n SER 111 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2jnc h ARG 112 N 0.08 0.47 -0.61 4.33 2.43 -1.90 -3.47 114.38 115.71 2jnc h ARG 112 Ca -0.21 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.93 2jnc h ARG 112 Cb 0.80 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 2jnc h ARG 112 CO 0.31 0.31 0.00 1.33 -1.51 0.00 0.00 179.97 180.41 2jnc n VAL 113 N -4.86 0.00 -0.97 0.20 0.24 -0.10 -4.69 118.33 108.15 2jnc n VAL 113 Ca 0.01 0.00 -0.27 0.00 -2.04 0.00 0.00 64.34 62.04 2jnc n VAL 113 Cb 0.05 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.39 2jnc n VAL 113 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 2jnc n ASN 114 N 0.66 6.34 0.16 -1.34 0.23 -1.26 -4.43 115.26 115.62 2jnc n ASN 114 Ca 0.00 -2.41 0.09 0.00 -0.53 0.00 0.00 54.58 51.73 2jnc n ASN 114 Cb 0.00 -1.28 0.08 0.00 -2.08 0.00 0.00 39.78 36.50 2jnc n ASN 114 CO 0.00 0.00 0.00 0.10 -0.93 0.00 0.00 177.26 176.43 2jnc h TYR 115 N 5.41 0.00 0.00 -2.53 -0.00 -1.87 -3.26 116.97 114.72 2jnc h TYR 115 Ca 0.60 0.00 -0.04 0.00 -0.00 0.00 0.00 58.73 59.28 2jnc h TYR 115 Cb 0.35 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.08 2jnc h TYR 115 CO 1.88 0.13 -0.20 1.03 -0.00 0.00 0.00 178.16 181.00 2jnc h SER 116 N 0.00 0.00 -0.09 0.10 0.87 -1.96 -3.04 113.55 109.43 2jnc h SER 116 Ca -0.01 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.40 2jnc h SER 116 Cb 1.11 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.02 2jnc h SER 116 CO 0.02 0.20 -0.16 1.41 -0.53 0.00 0.00 176.83 177.77 2jnc n HIS 117 N -3.77 0.17 1.31 2.24 8.25 -1.23 -4.29 115.22 117.90 2jnc n HIS 117 Ca -0.02 -1.36 0.13 0.00 -0.26 0.00 0.00 57.72 56.21 2jnc n HIS 117 Cb 0.31 -1.14 0.41 0.00 1.12 0.00 0.00 29.99 30.68 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 0.48 -2.80 -1.36 0.00 -0.58 -1.26 -3.45 120.64 111.67 2jnc n GLU 119 Ca 0.18 2.35 -0.29 0.00 -0.42 0.00 0.00 57.16 58.97 2jnc n GLU 119 Cb 0.41 -4.99 0.19 0.00 -0.57 0.00 0.00 31.44 26.48 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 -1.75 0.02 0.00 3.49 0.04 -1.26 -4.52 135.00 131.02 2jnc s PRO 120 Ca 0.07 0.08 0.00 0.00 0.04 0.00 0.00 61.00 61.19 2jnc s PRO 120 Cb -0.02 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.79 2jnc s PRO 120 CO 0.69 -2.91 0.00 -0.89 0.04 0.00 0.00 177.00 173.93