#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jcr s GLN 25 N 0.00 0.83 -0.12 1.20 -1.52 -1.26 -1.69 119.66 117.10 2jcr s GLN 25 Ca 0.00 -0.14 0.01 0.00 -1.95 0.00 0.00 55.36 53.28 2jcr s GLN 25 Cb 0.00 -0.82 0.02 0.00 -0.22 0.00 0.00 33.01 31.99 2jcr s GLN 25 CO 0.00 -0.04 -0.13 0.42 -0.25 0.00 0.00 175.29 175.29 2jcr s ILE 26 N 0.73 1.41 -0.20 1.08 1.01 -0.26 -4.96 121.20 120.01 2jcr s ILE 26 Ca -0.10 -0.56 -0.09 0.00 0.00 0.00 0.00 60.65 59.90 2jcr s ILE 26 Cb -0.13 -1.32 -0.05 0.00 0.01 0.00 0.00 42.46 40.97 2jcr s ILE 26 CO 0.00 0.43 0.11 -1.81 0.00 0.00 0.00 174.94 173.67 2jcr s ASP 27 N 1.28 6.01 -0.38 3.58 1.11 -1.26 -1.19 116.67 125.82 2jcr s ASP 27 Ca -0.01 0.16 0.01 0.00 0.18 0.00 0.00 52.55 52.90 2jcr s ASP 27 Cb -0.14 -2.05 0.11 0.00 1.07 0.00 0.00 42.92 41.91 2jcr s ASP 27 CO -0.06 0.16 0.12 -0.76 1.18 0.00 0.00 175.17 175.82 2jcr s LEU 28 N 0.47 4.95 -0.15 1.23 1.43 0.02 0.41 118.68 127.04 2jcr s LEU 28 Ca 0.06 -2.16 -0.29 0.00 -1.03 0.00 0.00 54.13 50.71 2jcr s LEU 28 Cb -0.12 -1.71 -0.00 0.00 0.03 0.00 0.00 46.19 44.39 2jcr s LEU 28 CO -0.00 -0.44 1.02 0.20 0.23 0.00 0.00 176.35 177.36 2jcr s ASN 29 N 1.20 7.19 0.08 2.29 -0.87 -0.42 -1.10 114.94 123.30 2jcr s ASN 29 Ca 0.10 1.47 0.10 0.00 -1.57 0.00 0.00 52.86 52.96 2jcr s ASN 29 Cb -0.21 -2.55 -0.03 0.00 -0.02 0.00 0.00 41.25 38.44 2jcr s ASN 29 CO -0.06 -0.53 -0.25 0.68 -2.57 0.00 0.00 177.10 174.36 2jcr s VAL 30 N 2.45 2.27 0.63 1.60 -7.23 -0.86 -1.18 120.40 118.08 2jcr s VAL 30 Ca 0.47 -1.50 0.03 0.00 -1.81 0.00 0.00 61.98 59.16 2jcr s VAL 30 Cb -0.17 -1.94 0.09 0.00 0.56 0.00 0.00 36.38 34.92 2jcr s VAL 30 CO 0.13 0.26 0.87 0.42 -0.31 0.00 0.00 175.10 176.47 2jcr s THR 31 N -0.92 2.30 0.77 5.32 -4.23 -0.93 -3.93 115.64 114.02 2jcr s THR 31 Ca 0.13 -0.74 -0.15 0.00 -1.18 0.00 0.00 61.69 59.75 2jcr s THR 31 Cb -0.10 -2.56 0.05 0.00 1.34 0.00 0.00 72.50 71.23 2jcr s THR 31 CO 0.04 0.00 1.16 0.00 -0.54 0.00 0.00 174.62 175.28 2jcr s ARG 33 N -3.82 4.06 -0.20 0.00 3.00 0.01 -4.55 118.95 117.45 2jcr s ARG 33 Ca 0.75 0.57 0.00 0.00 0.00 0.00 0.00 55.73 57.06 2jcr s ARG 33 Cb -0.32 -3.12 0.05 0.00 0.00 0.00 0.00 34.95 31.56 2jcr s ARG 33 CO 0.49 0.59 -0.08 0.71 0.00 0.00 0.00 175.30 177.02 2jcr s TYR 34 N -1.23 2.23 -1.56 -0.53 1.51 0.36 -0.30 117.35 117.83 2jcr s TYR 34 Ca 0.31 -1.52 -0.12 0.00 -1.01 0.00 0.00 57.07 54.74 2jcr s TYR 34 Cb -0.17 -1.54 0.09 0.00 -0.11 0.00 0.00 41.96 40.23 2jcr s TYR 34 CO 0.18 -0.72 0.74 0.00 -1.11 0.00 0.00 175.55 174.64 2jcr n ALA 35 N 4.73 -1.50 -0.16 3.71 0.00 -0.82 -0.62 120.51 125.85 2jcr n ALA 35 Ca -0.13 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2jcr n ALA 35 Cb 0.46 -3.16 0.00 0.00 0.00 0.00 0.00 19.45 16.75 2jcr n ALA 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jcr n GLY 36 N -1.64 2.49 3.70 0.00 0.00 -1.24 -4.85 105.19 103.64 2jcr n GLY 36 Ca -0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.58 2jcr n GLY 36 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jcr s VAL 37 N -3.02 5.10 0.15 1.61 1.01 0.21 -0.48 120.40 124.98 2jcr s VAL 37 Ca 0.00 1.11 0.01 0.00 0.00 0.00 0.00 61.98 63.10 2jcr s VAL 37 Cb 0.00 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 2jcr s VAL 37 CO 0.00 0.23 0.02 0.72 0.00 0.00 0.00 175.10 176.07 2jcr s PHE 38 N 1.15 1.05 -0.10 5.22 -0.12 -0.41 -0.49 117.98 124.28 2jcr s PHE 38 Ca 0.29 -1.09 -0.03 0.00 -0.05 0.00 0.00 56.93 56.05 2jcr s PHE 38 Cb -0.16 -0.60 -0.03 0.00 -0.63 0.00 0.00 43.02 41.60 2jcr s PHE 38 CO 0.12 -0.32 0.01 -1.58 -0.05 0.00 0.00 175.22 173.40 2jcr s HIS 39 N -3.80 3.20 -0.10 3.49 5.65 -1.15 -0.88 115.29 121.69 2jcr s HIS 39 Ca 0.23 0.19 0.02 0.00 0.25 0.00 0.00 55.06 55.74 2jcr s HIS 39 Cb 0.07 -1.83 0.01 0.00 -1.18 0.00 0.00 32.58 29.65 2jcr s HIS 39 CO 0.02 0.44 -0.16 0.08 -0.65 0.00 0.00 174.74 174.47 2jcr s VAL 40 N -0.74 1.56 -0.19 0.89 1.01 0.81 -2.18 120.40 121.56 2jcr s VAL 40 Ca 0.12 -0.69 -0.03 0.00 0.00 0.00 0.00 61.98 61.38 2jcr s VAL 40 Cb -0.12 -1.40 -0.01 0.00 0.00 0.00 0.00 36.38 34.85 2jcr s VAL 40 CO 0.02 0.45 -0.08 -0.70 0.00 0.00 0.00 175.10 174.80 2jcr s GLU 41 N 0.83 3.35 -0.27 2.72 2.12 -0.33 -1.95 118.70 125.18 2jcr s GLU 41 Ca -0.10 -0.65 -0.12 0.00 0.36 0.00 0.00 54.97 54.46 2jcr s GLU 41 Cb -0.16 -2.88 -0.05 0.00 0.26 0.00 0.00 34.13 31.31 2jcr s GLU 41 CO 0.01 -0.09 0.25 0.21 -0.54 0.00 0.00 175.26 175.09 2jcr s LYS 42 N 1.17 4.00 2.68 4.30 2.20 -1.26 -1.31 119.74 131.52 2jcr s LYS 42 Ca 0.02 -0.19 0.00 0.00 -0.36 0.00 0.00 55.97 55.44 2jcr s LYS 42 Cb -0.14 -3.63 0.00 0.00 -1.51 0.00 0.00 37.83 32.54 2jcr s LYS 42 CO -0.02 -0.16 0.00 0.09 -0.36 0.00 0.00 175.35 174.90 2jcr n ASN 43 N 4.98 0.00 -4.90 1.43 3.02 0.17 -4.52 115.26 115.43 2jcr n ASN 43 Ca -0.12 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.14 2jcr n ASN 43 Cb 0.52 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.69 2jcr n ASN 43 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2jcr s GLY 44 N 0.00 1.55 0.01 7.41 0.00 -1.26 -4.97 107.32 110.06 2jcr s GLY 44 Ca 0.00 -0.42 -0.38 0.00 0.00 0.00 0.00 44.72 43.92 2jcr s GLY 44 CO 0.00 -0.21 1.39 -2.13 0.00 0.00 0.00 173.10 172.15 2jcr n ARG 45 N -2.43 1.05 -3.32 2.90 0.63 -1.26 -3.68 116.66 110.54 2jcr n ARG 45 Ca 0.02 0.38 -0.16 0.00 -0.92 0.00 0.00 57.85 57.17 2jcr n ARG 45 Cb 0.55 -2.02 0.08 0.00 0.45 0.00 0.00 32.46 31.52 2jcr n ARG 45 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 2jcr n TYR 46 N 2.93 -2.36 -0.56 -0.14 0.53 -1.26 -4.96 117.16 111.34 2jcr n TYR 46 Ca 0.20 0.88 0.02 0.00 -1.02 0.00 0.00 57.90 57.98 2jcr n TYR 46 Cb 0.17 -4.43 0.03 0.00 -1.03 0.00 0.00 39.34 34.08 2jcr n TYR 46 CO 0.00 0.00 0.00 -1.13 -1.02 0.00 0.00 176.86 174.71 2jcr n SER 47 N -3.19 1.59 -4.63 7.72 3.41 -1.17 -4.21 113.62 113.15 2jcr n SER 47 Ca -0.14 -2.08 -0.35 0.00 -0.26 0.00 0.00 58.87 56.04 2jcr n SER 47 Cb 0.64 -0.11 -0.10 0.00 -0.26 0.00 0.00 64.21 64.37 2jcr n SER 47 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2jcr s ILE 48 N -1.19 4.45 0.74 -1.33 1.01 -0.63 -4.91 121.20 119.34 2jcr s ILE 48 Ca 0.07 -0.17 -0.08 0.00 0.00 0.00 0.00 60.65 60.48 2jcr s ILE 48 Cb 0.06 -2.95 0.08 0.00 0.01 0.00 0.00 42.46 39.67 2jcr s ILE 48 CO 0.01 0.52 1.06 -0.94 0.00 0.00 0.00 174.94 175.59 2jcr s SER 49 N -0.08 4.60 0.25 3.58 1.04 -1.26 -1.38 113.70 120.45 2jcr s SER 49 Ca 0.05 0.43 -0.04 0.00 0.48 0.00 0.00 55.95 56.86 2jcr s SER 49 Cb -0.12 -0.99 0.28 0.00 0.10 0.00 0.00 66.02 65.29 2jcr s SER 49 CO 0.02 -1.75 1.77 -0.09 0.98 0.00 0.00 173.24 174.17 2jcr h ARG 50 N -0.74 0.94 -0.31 4.02 9.65 -1.98 0.07 114.38 126.04 2jcr h ARG 50 Ca -0.44 -0.22 -0.15 0.00 -1.10 0.00 0.00 59.98 58.08 2jcr h ARG 50 Cb 1.31 -0.13 -0.00 0.00 -1.39 0.00 0.00 29.97 29.76 2jcr h ARG 50 CO 0.58 0.85 -0.37 1.79 2.80 0.00 0.00 179.97 185.62 2jcr h THR 51 N 0.90 1.29 -0.47 0.20 1.35 -1.97 -2.48 112.91 111.73 2jcr h THR 51 Ca 0.19 -1.55 -0.07 0.00 -0.55 0.00 0.00 66.41 64.43 2jcr h THR 51 Cb 0.36 1.55 -0.02 0.00 -1.73 0.00 0.00 68.15 68.31 2jcr h THR 51 CO 0.00 0.50 -0.00 -0.08 -0.25 0.00 0.00 175.52 175.70 2jcr h GLU 52 N 0.57 0.77 -0.27 4.72 4.81 -1.89 -2.45 114.58 120.85 2jcr h GLU 52 Ca 0.04 -0.20 -0.00 0.00 -0.13 0.00 0.00 59.36 59.07 2jcr h GLU 52 Cb 0.96 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.24 2jcr h GLU 52 CO 0.09 0.78 0.17 0.00 -0.73 0.00 0.00 179.01 179.32 2jcr h ALA 53 N 1.28 0.34 -0.43 2.92 0.00 -0.89 0.19 119.26 122.67 2jcr h ALA 53 Ca 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2jcr h ALA 53 Cb 0.44 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2jcr h ALA 53 CO 0.02 -0.17 0.29 0.00 0.00 0.00 0.00 179.25 179.39 2jcr h ALA 54 N 1.07 0.55 -0.59 0.00 0.00 -1.31 -1.15 119.26 117.83 2jcr h ALA 54 Ca 0.10 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2jcr h ALA 54 Cb -0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 2jcr h ALA 54 CO -0.02 0.00 0.20 -0.44 0.00 0.00 0.00 179.25 179.00 2jcr h ASP 55 N 0.59 0.80 0.08 0.00 3.32 -1.21 -2.28 116.42 117.72 2jcr h ASP 55 Ca 0.16 -0.12 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 2jcr h ASP 55 Cb -0.07 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.28 2jcr h ASP 55 CO -0.03 0.74 -0.04 0.25 -1.72 0.00 0.00 179.24 178.44 2jcr h LEU 56 N 0.85 -0.09 -0.59 1.55 5.85 -0.17 -1.54 115.31 121.16 2jcr h LEU 56 Ca 0.20 -0.19 0.05 0.00 0.84 0.00 0.00 57.88 58.78 2jcr h LEU 56 Cb 0.22 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.22 2jcr h LEU 56 CO -0.01 0.15 0.31 0.00 -0.34 0.00 0.00 178.44 178.55 2jcr h GLN 58 N 0.59 1.12 -0.18 0.00 5.75 -1.29 0.73 115.11 121.83 2jcr h GLN 58 Ca 0.26 -0.07 0.01 0.00 -0.15 0.00 0.00 58.65 58.70 2jcr h GLN 58 Cb 0.17 -0.25 -0.01 0.00 1.07 0.00 0.00 27.48 28.46 2jcr h GLN 58 CO -0.18 0.74 0.12 0.00 -2.65 0.00 0.00 178.83 176.87 2jcr h ALA 59 N 1.46 1.89 -0.24 3.38 0.00 -0.65 -0.69 119.26 124.41 2jcr h ALA 59 Ca 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.34 2jcr h ALA 59 Cb 0.20 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2jcr h ALA 59 CO -0.18 0.10 0.00 1.19 0.00 0.00 0.00 179.25 180.36 2jcr n PHE 60 N -4.51 0.60 -4.08 0.00 3.01 -0.34 -0.44 117.46 111.70 2jcr n PHE 60 Ca -0.00 -0.23 -0.31 0.00 1.01 0.00 0.00 57.45 57.91 2jcr n PHE 60 Cb 0.09 -0.15 -0.02 0.00 -0.01 0.00 0.00 39.48 39.39 2jcr n PHE 60 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 2jcr n ASN 61 N 0.26 -2.37 -4.00 4.37 3.02 -0.27 -4.84 115.26 111.44 2jcr n ASN 61 Ca 0.10 -0.98 -0.23 0.00 -0.03 0.00 0.00 54.58 53.43 2jcr n ASN 61 Cb 0.44 -3.02 -0.08 0.00 -0.61 0.00 0.00 39.78 36.51 2jcr n ASN 61 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2jcr s SER 62 N -3.71 2.42 0.16 6.41 0.01 0.10 -4.78 113.70 114.32 2jcr s SER 62 Ca 0.45 -1.66 0.05 0.00 1.31 0.00 0.00 55.95 56.10 2jcr s SER 62 Cb -0.24 0.48 -0.04 0.00 0.21 0.00 0.00 66.02 66.42 2jcr s SER 62 CO 0.90 -0.94 -0.10 0.42 0.41 0.00 0.00 173.24 173.93 2jcr s THR 63 N -3.31 1.26 0.12 1.44 -4.23 -0.73 -3.03 115.64 107.16 2jcr s THR 63 Ca 0.28 -2.09 -0.31 0.00 -1.18 0.00 0.00 61.69 58.40 2jcr s THR 63 Cb 0.03 -1.90 -0.09 0.00 1.34 0.00 0.00 72.50 71.88 2jcr s THR 63 CO 0.17 -0.71 1.63 -0.76 -0.54 0.00 0.00 174.62 174.42 2jcr s LEU 64 N -3.20 4.37 0.60 4.79 1.43 -1.26 0.51 118.68 125.92 2jcr s LEU 64 Ca 0.18 2.58 -0.19 0.00 -1.03 0.00 0.00 54.13 55.67 2jcr s LEU 64 Cb 0.02 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.63 2jcr s LEU 64 CO 0.02 -0.87 1.13 -2.65 0.23 0.00 0.00 176.35 174.20 2jcr n PRO 65 N 4.85 1.10 -1.82 1.29 -0.02 -1.26 -4.30 135.00 134.84 2jcr n PRO 65 Ca 0.15 0.42 -0.30 0.00 -2.02 0.00 0.00 63.50 61.75 2jcr n PRO 65 Cb 0.39 -2.34 0.06 0.00 -0.02 0.00 0.00 33.50 31.60 2jcr n PRO 65 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2jcr s THR 66 N -1.43 3.17 0.19 3.45 -4.23 -1.26 -0.38 115.64 115.15 2jcr s THR 66 Ca 0.77 0.38 -0.10 0.00 -1.18 0.00 0.00 61.69 61.56 2jcr s THR 66 Cb -0.41 -3.33 0.11 0.00 1.34 0.00 0.00 72.50 70.22 2jcr s THR 66 CO 0.45 -0.50 1.76 -0.03 -0.54 0.00 0.00 174.62 175.77 2jcr h MET 67 N -0.80 1.01 -0.66 3.99 4.05 -1.96 -2.07 114.93 118.50 2jcr h MET 67 Ca -0.46 -0.17 -0.02 0.00 -0.28 0.00 0.00 59.70 58.77 2jcr h MET 67 Cb 1.27 -0.17 -0.03 0.00 -0.80 0.00 0.00 31.60 31.87 2jcr h MET 67 CO 0.63 0.82 0.31 -0.44 0.23 0.00 0.00 176.91 178.47 2jcr h ASP 68 N 0.97 0.86 -0.82 1.39 3.32 -1.99 -0.48 116.42 119.67 2jcr h ASP 68 Ca 0.23 -0.13 0.01 0.00 0.02 0.00 0.00 57.03 57.16 2jcr h ASP 68 Cb 0.17 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.46 2jcr h ASP 68 CO -0.02 0.75 0.54 1.56 -1.72 0.00 0.00 179.24 180.35 2jcr h GLN 69 N 0.91 1.06 -0.45 3.56 4.20 -1.89 -1.69 115.11 120.82 2jcr h GLN 69 Ca 0.23 -0.06 -0.12 0.00 0.06 0.00 0.00 58.65 58.75 2jcr h GLN 69 Cb 0.12 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 27.65 2jcr h GLN 69 CO -0.03 0.70 -0.21 1.98 -0.67 0.00 0.00 178.83 180.60 2jcr h MET 70 N 1.09 0.90 -0.75 1.46 4.05 -1.10 -2.05 114.93 118.53 2jcr h MET 70 Ca 0.30 -0.37 -0.04 0.00 -0.28 0.00 0.00 59.70 59.32 2jcr h MET 70 Cb -0.11 -0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 30.62 2jcr h MET 70 CO -0.07 1.02 0.33 0.87 0.23 0.00 0.00 176.91 179.29 2jcr h LYS 71 N 0.78 1.11 -0.58 0.39 1.57 -0.84 0.07 116.57 119.07 2jcr h LYS 71 Ca 0.11 -0.18 -0.07 0.00 -1.87 0.00 0.00 60.65 58.64 2jcr h LYS 71 Cb 0.76 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.86 2jcr h LYS 71 CO 0.06 0.88 0.11 1.25 -0.57 0.00 0.00 179.45 181.18 2jcr h LEU 72 N 1.07 0.91 -0.45 2.94 5.85 -1.21 -2.04 115.31 122.38 2jcr h LEU 72 Ca 0.26 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2jcr h LEU 72 Cb 0.16 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 2jcr h LEU 72 CO -0.03 0.93 0.30 0.00 -0.34 0.00 0.00 178.44 179.30 2jcr h ALA 73 N 1.02 0.57 -0.21 1.25 0.00 -1.01 -2.39 119.26 118.49 2jcr h ALA 73 Ca 0.18 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.11 2jcr h ALA 73 Cb 0.40 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 2jcr h ALA 73 CO 0.01 0.02 -0.23 1.25 0.00 0.00 0.00 179.25 180.30 2jcr h LEU 74 N 0.61 -0.73 -1.95 0.00 5.85 -0.84 -1.66 115.31 116.58 2jcr h LEU 74 Ca 0.16 0.13 0.16 0.00 0.84 0.00 0.00 57.88 59.17 2jcr h LEU 74 Cb -0.07 0.34 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 2jcr h LEU 74 CO -0.04 -0.27 0.41 0.77 -0.34 0.00 0.00 178.44 178.98 2jcr h SER 75 N -0.25 0.04 -0.02 1.25 4.64 -0.98 0.47 113.55 118.71 2jcr h SER 75 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 2jcr h SER 75 Cb 0.44 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 2jcr h SER 75 CO -0.35 0.02 0.00 0.29 -0.87 0.00 0.00 176.83 175.92 2jcr n LYS 76 N -4.38 1.33 0.00 4.77 4.76 -0.69 -4.89 118.16 119.06 2jcr n LYS 76 Ca 0.11 -0.48 0.00 0.00 -2.87 0.00 0.00 58.31 55.07 2jcr n LYS 76 Cb 0.62 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 32.34 2jcr n LYS 76 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2jcr n GLY 77 N 1.07 1.10 3.66 0.72 0.00 0.15 -4.71 105.19 107.19 2jcr n GLY 77 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 2jcr n GLY 77 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2jcr s PHE 78 N -2.00 3.14 0.00 1.61 5.36 -0.83 -5.00 117.98 120.27 2jcr s PHE 78 Ca 0.00 1.27 -0.12 0.00 -0.96 0.00 0.00 56.93 57.12 2jcr s PHE 78 Cb 0.00 -3.37 0.01 0.00 -0.34 0.00 0.00 43.02 39.32 2jcr s PHE 78 CO 0.00 -1.02 0.25 -1.83 -1.46 0.00 0.00 175.22 171.16 2jcr s GLU 79 N 3.14 0.64 0.26 10.12 -1.05 -1.26 -4.26 118.70 126.29 2jcr s GLU 79 Ca 0.50 -0.34 0.01 0.00 -0.15 0.00 0.00 54.97 54.99 2jcr s GLU 79 Cb -0.19 0.27 -0.04 0.00 -0.44 0.00 0.00 34.13 33.73 2jcr s GLU 79 CO 0.12 -0.17 0.12 0.95 0.95 0.00 0.00 175.26 177.23 2jcr s THR 80 N -1.63 0.37 -0.49 1.83 -4.23 -0.93 -5.03 115.64 105.53 2jcr s THR 80 Ca -0.12 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.43 2jcr s THR 80 Cb -0.05 -2.57 0.42 0.00 1.34 0.00 0.00 72.50 71.64 2jcr s THR 80 CO 0.02 0.00 1.38 0.00 -0.54 0.00 0.00 174.62 175.48 2jcr s ARG 82 N -3.68 0.03 0.27 0.00 1.81 -1.26 -4.98 118.95 111.14 2jcr s ARG 82 Ca 0.51 0.29 -0.29 0.00 -1.72 0.00 0.00 55.73 54.52 2jcr s ARG 82 Cb 0.42 -0.21 -0.09 0.00 -0.45 0.00 0.00 34.95 34.62 2jcr s ARG 82 CO -0.15 -0.17 1.20 0.71 -0.68 0.00 0.00 175.30 176.21 2jcr s TYR 83 N 1.13 3.36 0.01 -0.53 1.51 -1.26 -4.48 117.35 117.09 2jcr s TYR 83 Ca -0.09 1.51 -0.27 0.00 -1.01 0.00 0.00 57.07 57.20 2jcr s TYR 83 Cb -0.12 -3.47 0.07 0.00 -0.11 0.00 0.00 41.96 38.33 2jcr s TYR 83 CO -0.05 -1.22 0.63 0.20 -1.11 0.00 0.00 175.55 174.00 2jcr s GLY 84 N -0.42 -0.55 0.23 0.71 0.00 -0.49 -1.82 107.32 104.98 2jcr s GLY 84 Ca 0.49 1.00 -0.30 0.00 0.00 0.00 0.00 44.72 45.91 2jcr s GLY 84 CO 0.43 0.66 1.45 -1.36 0.00 0.00 0.00 173.10 174.28 2jcr s PHE 85 N -1.92 3.04 0.04 1.90 0.40 -0.81 -0.86 117.98 119.76 2jcr s PHE 85 Ca -0.08 0.99 0.00 0.00 -0.60 0.00 0.00 56.93 57.25 2jcr s PHE 85 Cb -0.00 -3.82 0.00 0.00 0.51 0.00 0.00 43.02 39.71 2jcr s PHE 85 CO 0.03 -2.70 0.00 0.44 0.70 0.00 0.00 175.22 173.69 2jcr n ILE 86 N 2.56 0.00 -2.09 0.64 -5.35 -0.27 -1.33 119.36 113.52 2jcr n ILE 86 Ca 0.08 -0.17 -0.43 0.00 -0.27 0.00 0.00 62.75 61.96 2jcr n ILE 86 Cb 0.40 0.03 -0.03 0.00 -1.74 0.00 0.00 39.64 38.30 2jcr n ILE 86 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 2jcr s GLU 87 N -2.13 4.07 0.00 6.28 2.56 0.48 -3.66 118.70 126.30 2jcr s GLU 87 Ca 0.00 1.96 0.00 0.00 0.00 0.00 0.00 54.97 56.93 2jcr s GLU 87 Cb -0.00 -3.97 0.00 0.00 2.00 0.00 0.00 34.13 32.16 2jcr s GLU 87 CO 0.00 -0.97 0.00 0.41 -0.56 0.00 0.00 175.26 174.14 2jcr n GLY 88 N 4.22 2.97 3.43 -1.50 0.00 -1.26 -4.74 105.19 108.31 2jcr n GLY 88 Ca 0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.09 2jcr n GLY 88 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2jcr s ASN 89 N -0.03 0.10 -0.18 1.61 0.01 -1.24 -5.15 114.94 110.06 2jcr s ASN 89 Ca 0.00 -1.16 -0.03 0.00 -0.71 0.00 0.00 52.86 50.96 2jcr s ASN 89 Cb 0.00 0.52 -0.02 0.00 0.41 0.00 0.00 41.25 42.16 2jcr s ASN 89 CO 0.00 -1.04 -0.06 -0.69 -1.51 0.00 0.00 177.10 173.80 2jcr s VAL 90 N -3.98 3.45 0.20 1.60 1.01 -1.26 -1.11 120.40 120.30 2jcr s VAL 90 Ca 0.30 -0.49 0.02 0.00 0.00 0.00 0.00 61.98 61.80 2jcr s VAL 90 Cb 0.02 -2.52 -0.05 0.00 0.00 0.00 0.00 36.38 33.83 2jcr s VAL 90 CO 0.11 0.47 0.01 0.68 0.00 0.00 0.00 175.10 176.37 2jcr s VAL 91 N 0.87 0.79 -0.08 2.92 -7.23 -0.04 -0.35 120.40 117.27 2jcr s VAL 91 Ca -0.01 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.15 2jcr s VAL 91 Cb -0.15 -2.23 0.02 0.00 0.56 0.00 0.00 36.38 34.59 2jcr s VAL 91 CO 0.01 -0.39 -0.06 -0.63 -0.31 0.00 0.00 175.10 173.72 2jcr s ILE 92 N -3.59 0.80 -0.06 -0.62 1.01 0.08 -1.40 121.20 117.43 2jcr s ILE 92 Ca 0.26 -0.19 -0.30 0.00 0.00 0.00 0.00 60.65 60.43 2jcr s ILE 92 Cb 0.06 -0.84 -0.02 0.00 0.01 0.00 0.00 42.46 41.67 2jcr s ILE 92 CO 0.06 0.32 0.99 -2.16 0.00 0.00 0.00 174.94 174.15 2jcr s PRO 93 N 1.49 4.48 -0.12 2.79 0.04 -1.26 -0.78 135.00 141.64 2jcr s PRO 93 Ca -0.01 1.39 0.01 0.00 0.04 0.00 0.00 61.00 62.43 2jcr s PRO 93 Cb -0.13 -3.50 0.02 0.00 0.04 0.00 0.00 34.50 30.92 2jcr s PRO 93 CO -0.04 -0.19 -0.12 1.03 0.04 0.00 0.00 177.00 177.71 2jcr s ARG 94 N 1.55 1.99 -0.18 4.56 1.81 -0.12 -2.20 118.95 126.36 2jcr s ARG 94 Ca 0.50 -0.45 -0.15 0.00 -1.72 0.00 0.00 55.73 53.91 2jcr s ARG 94 Cb -0.19 -1.84 -0.10 0.00 -0.45 0.00 0.00 34.95 32.37 2jcr s ARG 94 CO 0.22 -0.19 -0.07 -0.89 -0.68 0.00 0.00 175.30 173.70 2jcr n ILE 95 N 4.63 1.47 -3.61 1.52 5.41 -1.26 0.19 119.36 127.72 2jcr n ILE 95 Ca -0.16 0.08 -0.37 0.00 1.00 0.00 0.00 62.75 63.30 2jcr n ILE 95 Cb 0.50 -2.23 -0.07 0.00 -0.71 0.00 0.00 39.64 37.14 2jcr n ILE 95 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 2jcr s HIS 96 N -2.36 3.56 0.01 1.39 3.76 -1.26 -4.76 115.29 115.63 2jcr s HIS 96 Ca -0.23 0.68 -0.30 0.00 -0.15 0.00 0.00 55.06 55.06 2jcr s HIS 96 Cb 0.04 -2.24 -0.07 0.00 1.11 0.00 0.00 32.58 31.43 2jcr s HIS 96 CO 0.39 0.45 1.58 -1.25 -0.85 0.00 0.00 174.74 175.05 2jcr s PRO 97 N -0.25 4.22 -0.02 8.40 0.04 -1.26 -4.91 135.00 141.21 2jcr s PRO 97 Ca 0.18 2.18 0.04 0.00 0.04 0.00 0.00 61.00 63.44 2jcr s PRO 97 Cb -0.14 -3.71 -0.01 0.00 0.04 0.00 0.00 34.50 30.69 2jcr s PRO 97 CO 0.06 -0.72 -0.15 1.21 0.04 0.00 0.00 177.00 177.44 2jcr s ASN 98 N 2.53 1.87 0.45 6.66 3.84 -1.26 -4.96 114.94 124.07 2jcr s ASN 98 Ca 0.71 -0.29 0.20 0.00 0.21 0.00 0.00 52.86 53.68 2jcr s ASN 98 Cb -0.35 -0.35 1.09 0.00 -0.55 0.00 0.00 41.25 41.09 2jcr s ASN 98 CO 0.30 0.16 1.95 0.00 -2.79 0.00 0.00 177.10 176.72 2jcr h ALA 99 N 6.00 1.35 -0.47 1.71 0.00 -1.94 0.46 119.26 126.37 2jcr h ALA 99 Ca -0.34 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.36 2jcr h ALA 99 Cb 1.16 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2jcr h ALA 99 CO 0.48 0.28 0.00 0.44 0.00 0.00 0.00 179.25 180.45 2jcr n ILE 100 N -3.86 1.81 -3.72 0.00 -5.35 -1.26 -4.00 119.36 102.97 2jcr n ILE 100 Ca -0.02 -1.35 -0.30 0.00 -0.27 0.00 0.00 62.75 60.81 2jcr n ILE 100 Cb 0.31 0.09 -0.14 0.00 -1.74 0.00 0.00 39.64 38.16 2jcr n ILE 100 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2jcr n ALA 102 N 4.49 -1.04 -3.87 0.00 0.00 -1.26 -3.81 120.51 115.01 2jcr n ALA 102 Ca 0.01 0.24 -0.27 0.00 0.00 0.00 0.00 53.44 53.43 2jcr n ALA 102 Cb 0.40 -3.77 -0.00 0.00 0.00 0.00 0.00 19.45 16.08 2jcr n ALA 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jcr n ALA 103 N -3.72 -2.15 -0.96 0.00 0.00 -1.26 -1.27 120.51 111.15 2jcr n ALA 103 Ca -0.07 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.10 2jcr n ALA 103 Cb 0.59 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.90 2jcr n ALA 103 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2jcr n ASN 104 N -2.90 -3.38 -4.84 0.00 5.03 0.13 -4.95 115.26 104.36 2jcr n ASN 104 Ca -0.26 0.00 -0.32 0.00 0.87 0.00 0.00 54.58 54.87 2jcr n ASN 104 Cb 0.66 -1.54 -0.04 0.00 -1.02 0.00 0.00 39.78 37.84 2jcr n ASN 104 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 2jcr s HIS 105 N -1.84 3.42 0.24 3.10 3.76 -0.40 -4.61 115.29 118.96 2jcr s HIS 105 Ca 0.00 1.44 0.10 0.00 -0.15 0.00 0.00 55.06 56.45 2jcr s HIS 105 Cb 0.00 -2.75 -0.05 0.00 1.11 0.00 0.00 32.58 30.89 2jcr s HIS 105 CO 0.00 -0.25 -0.18 0.95 -0.85 0.00 0.00 174.74 174.40 2jcr s THR 106 N -2.46 2.16 0.00 1.30 -4.23 -1.26 -4.60 115.64 106.55 2jcr s THR 106 Ca 0.59 -2.26 0.00 0.00 -1.18 0.00 0.00 61.69 58.83 2jcr s THR 106 Cb -0.10 -2.15 0.00 0.00 1.34 0.00 0.00 72.50 71.59 2jcr s THR 106 CO 0.26 -0.43 0.00 0.61 -0.54 0.00 0.00 174.62 174.53 2jcr n GLY 107 N -0.37 -2.08 3.50 3.99 0.00 0.13 -4.74 105.19 105.62 2jcr n GLY 107 Ca -0.07 -1.96 -0.42 0.00 0.00 0.00 0.00 46.02 43.56 2jcr n GLY 107 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jcr s VAL 108 N -0.14 4.11 -0.09 1.61 1.01 -1.26 -0.95 120.40 124.69 2jcr s VAL 108 Ca 0.00 -0.25 -0.28 0.00 0.00 0.00 0.00 61.98 61.44 2jcr s VAL 108 Cb 0.00 -4.82 -0.02 0.00 0.00 0.00 0.00 36.38 31.54 2jcr s VAL 108 CO 0.00 -1.66 0.94 -0.47 0.00 0.00 0.00 175.10 173.91 2jcr s TYR 109 N 4.62 3.54 -0.13 5.22 5.04 0.04 -4.90 117.35 130.79 2jcr s TYR 109 Ca 0.30 1.53 -0.17 0.00 -2.44 0.00 0.00 57.07 56.29 2jcr s TYR 109 Cb -0.11 -3.10 -0.04 0.00 0.35 0.00 0.00 41.96 39.06 2jcr s TYR 109 CO 0.08 -0.14 0.42 0.42 -1.34 0.00 0.00 175.55 174.99 2jcr s ILE 110 N 1.66 5.22 -0.05 3.14 1.01 -1.26 -0.74 121.20 130.18 2jcr s ILE 110 Ca 0.46 0.83 -0.30 0.00 0.00 0.00 0.00 60.65 61.65 2jcr s ILE 110 Cb -0.19 -3.76 -0.04 0.00 0.01 0.00 0.00 42.46 38.48 2jcr s ILE 110 CO 0.20 0.34 1.35 -0.22 0.00 0.00 0.00 174.94 176.61 2jcr s LEU 111 N 0.58 4.28 -0.25 2.97 2.96 0.52 -4.93 118.68 124.82 2jcr s LEU 111 Ca 0.23 1.97 -0.11 0.00 -0.22 0.00 0.00 54.13 56.01 2jcr s LEU 111 Cb -0.14 -3.55 -0.16 0.00 0.50 0.00 0.00 46.19 42.83 2jcr s LEU 111 CO 0.08 -0.71 -0.17 0.52 -1.32 0.00 0.00 176.35 174.76 2jcr n VAL 112 N 4.84 1.54 -3.83 1.68 0.31 -1.26 -4.73 118.33 116.88 2jcr n VAL 112 Ca 0.13 -0.40 -0.26 0.00 -0.01 0.00 0.00 64.34 63.80 2jcr n VAL 112 Cb 0.44 -1.78 -0.17 0.00 -0.91 0.00 0.00 33.84 31.42 2jcr n VAL 112 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2jcr s THR 113 N -2.49 0.76 -0.11 2.52 2.01 -1.26 -5.11 115.64 111.96 2jcr s THR 113 Ca -0.35 -0.30 -0.18 0.00 0.31 0.00 0.00 61.69 61.17 2jcr s THR 113 Cb 0.11 -0.95 0.04 0.00 0.01 0.00 0.00 72.50 71.72 2jcr s THR 113 CO 0.56 0.17 0.46 -0.55 -0.69 0.00 0.00 174.62 174.57 2jcr s SER 114 N 1.80 -0.43 0.36 3.53 0.15 -1.26 -5.03 113.70 112.80 2jcr s SER 114 Ca 0.03 0.66 0.17 0.00 0.70 0.00 0.00 55.95 57.51 2jcr s SER 114 Cb -0.14 0.70 0.62 0.00 -1.71 0.00 0.00 66.02 65.49 2jcr s SER 114 CO -0.07 -0.33 1.71 0.78 1.20 0.00 0.00 173.24 176.53 2jcr h ASN 115 N 4.53 0.00 -2.04 5.45 2.35 -2.05 -3.48 115.58 120.34 2jcr h ASN 115 Ca -0.28 0.00 -0.60 0.00 -0.55 0.00 0.00 56.30 54.87 2jcr h ASN 115 Cb 1.17 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 39.42 2jcr h ASN 115 CO 0.29 0.42 -0.67 0.42 -1.65 0.00 0.00 177.43 176.24 2jcr s THR 116 N -3.61 2.61 -0.61 2.81 -4.23 -1.26 -5.07 115.64 106.28 2jcr s THR 116 Ca -0.00 -2.13 0.06 0.00 -1.18 0.00 0.00 61.69 58.44 2jcr s THR 116 Cb 0.11 -2.64 0.00 0.00 1.34 0.00 0.00 72.50 71.32 2jcr s THR 116 CO 0.70 -0.28 0.52 -1.54 -0.54 0.00 0.00 174.62 173.49 2jcr n SER 117 N -0.82 1.03 -4.30 3.99 3.41 -1.26 -4.99 113.62 110.68 2jcr n SER 117 Ca -0.05 -1.01 -0.34 0.00 -0.26 0.00 0.00 58.87 57.20 2jcr n SER 117 Cb 0.62 0.42 -0.14 0.00 -0.26 0.00 0.00 64.21 64.84 2jcr n SER 117 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 2jcr s HIS 118 N -0.99 2.91 0.00 7.33 3.76 -1.26 -4.39 115.29 122.66 2jcr s HIS 118 Ca 0.06 -0.96 0.00 0.00 -0.15 0.00 0.00 55.06 54.01 2jcr s HIS 118 Cb 0.05 -2.03 0.00 0.00 1.11 0.00 0.00 32.58 31.71 2jcr s HIS 118 CO 0.15 -0.51 0.00 0.66 -0.85 0.00 0.00 174.74 174.19 2jcr n TYR 119 N 4.52 0.00 -1.84 1.40 4.02 -0.48 -4.57 117.16 120.21 2jcr n TYR 119 Ca -0.18 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.54 2jcr n TYR 119 Cb 0.51 0.00 0.11 0.00 -0.02 0.00 0.00 39.34 39.94 2jcr n TYR 119 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 2jcr n ASP 120 N -2.13 0.30 -4.21 7.72 8.00 -0.76 -1.61 116.55 123.86 2jcr n ASP 120 Ca 0.00 -1.41 -0.17 0.00 0.71 0.00 0.00 54.79 53.92 2jcr n ASP 120 Cb 0.00 -0.53 -0.11 0.00 -0.02 0.00 0.00 41.12 40.46 2jcr n ASP 120 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2jcr s THR 121 N -2.41 1.15 0.08 -3.53 -1.32 -0.82 -1.93 115.64 106.86 2jcr s THR 121 Ca 0.43 -1.63 0.02 0.00 -1.21 0.00 0.00 61.69 59.29 2jcr s THR 121 Cb -0.02 -1.40 -0.04 0.00 -1.51 0.00 0.00 72.50 69.53 2jcr s THR 121 CO 0.30 -0.45 0.17 -0.31 -2.21 0.00 0.00 174.62 172.12 2jcr s TYR 122 N -2.15 3.39 0.12 9.09 1.51 -0.44 -0.13 117.35 128.74 2jcr s TYR 122 Ca 0.06 0.17 0.03 0.00 -1.01 0.00 0.00 57.07 56.32 2jcr s TYR 122 Cb -0.05 -1.69 -0.04 0.00 -0.11 0.00 0.00 41.96 40.07 2jcr s TYR 122 CO 0.02 0.56 -0.09 0.00 -1.11 0.00 0.00 175.55 174.93 2jcr s PHE 124 N -3.36 1.37 -0.40 0.00 5.36 0.18 -1.29 117.98 119.85 2jcr s PHE 124 Ca 0.14 -0.67 -0.06 0.00 -0.96 0.00 0.00 56.93 55.37 2jcr s PHE 124 Cb 0.03 -1.18 0.08 0.00 -0.34 0.00 0.00 43.02 41.62 2jcr s PHE 124 CO -0.02 -0.49 0.21 1.21 -1.46 0.00 0.00 175.22 174.67 2jcr s ASN 125 N 1.74 5.43 0.56 6.13 2.47 0.36 -1.78 114.94 129.86 2jcr s ASN 125 Ca 0.05 -1.60 0.26 0.00 0.42 0.00 0.00 52.86 51.98 2jcr s ASN 125 Cb -0.13 -1.91 1.48 0.00 -1.45 0.00 0.00 41.25 39.25 2jcr s ASN 125 CO -0.08 -0.50 2.04 0.00 -3.72 0.00 0.00 177.10 174.84 2jcr h ALA 126 N 8.25 2.16 -0.00 1.71 0.00 -1.86 -1.89 119.26 127.63 2jcr h ALA 126 Ca -0.20 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2jcr h ALA 126 Cb 1.07 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2jcr h ALA 126 CO 0.71 -0.45 -0.06 0.43 0.00 0.00 0.00 179.25 179.87 2jcr n SER 127 N -4.12 0.12 -4.71 0.00 7.64 -1.26 -4.90 113.62 106.39 2jcr n SER 127 Ca 0.05 0.06 -0.30 0.00 1.01 0.00 0.00 58.87 59.69 2jcr n SER 127 Cb 0.45 -0.29 0.14 0.00 -1.01 0.00 0.00 64.21 63.50 2jcr n SER 127 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jcr s ALA 128 N -2.78 1.55 0.82 -0.43 0.00 -0.71 -5.02 121.76 115.19 2jcr s ALA 128 Ca 0.21 0.11 -0.14 0.00 0.00 0.00 0.00 51.96 52.14 2jcr s ALA 128 Cb 0.19 -3.25 0.05 0.00 0.00 0.00 0.00 23.12 20.11 2jcr s ALA 128 CO 0.52 -2.38 0.88 -2.30 0.00 0.00 0.00 175.76 172.47 2jcr n PRO 129 N -3.93 0.10 0.23 0.00 -0.02 -1.26 -4.77 135.00 125.35 2jcr n PRO 129 Ca 0.08 0.10 0.10 0.00 -2.02 0.00 0.00 63.50 61.76 2jcr n PRO 129 Cb 0.54 -2.17 0.54 0.00 -0.02 0.00 0.00 33.50 32.38 2jcr n PRO 129 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2jcr h PRO 130 N -0.94 0.00 0.00 0.52 0.13 -1.95 -3.30 132.00 126.46 2jcr h PRO 130 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2jcr h PRO 130 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2jcr h PRO 130 CO 0.43 0.21 0.00 0.39 -0.23 0.00 0.00 178.00 178.79 2jcr n GLU 131 N -3.48 2.65 -2.50 0.86 -0.58 -1.26 -3.17 120.64 113.16 2jcr n GLU 131 Ca -0.01 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.31 2jcr n GLU 131 Cb 0.37 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.22 2jcr n GLU 131 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 2jcr s GLU 132 N 4.88 4.44 -0.28 3.49 2.12 -1.26 -1.94 118.70 130.16 2jcr s GLU 132 Ca 0.00 1.66 0.01 0.00 0.36 0.00 0.00 54.97 57.00 2jcr s GLU 132 Cb 0.00 -3.42 0.08 0.00 0.26 0.00 0.00 34.13 31.05 2jcr s GLU 132 CO 0.00 -0.25 0.01 0.34 -0.54 0.00 0.00 175.26 174.82 2jcr s ASP 133 N 1.14 4.11 -0.16 -1.70 2.15 0.59 -4.98 116.67 117.83 2jcr s ASP 133 Ca 0.56 -1.53 0.16 0.00 0.43 0.00 0.00 52.55 52.16 2jcr s ASP 133 Cb -0.26 -1.20 0.62 0.00 -0.30 0.00 0.00 42.92 41.77 2jcr s ASP 133 CO 0.27 -0.32 1.53 0.00 -0.17 0.00 0.00 175.17 176.48 2jcr s THR 135 N -2.37 3.10 0.31 0.00 -4.23 -1.26 -4.96 115.64 106.23 2jcr s THR 135 Ca 0.45 0.44 -0.29 0.00 -1.18 0.00 0.00 61.69 61.12 2jcr s THR 135 Cb 0.33 -2.92 -0.10 0.00 1.34 0.00 0.00 72.50 71.15 2jcr s THR 135 CO 0.15 -0.38 1.18 -0.44 -0.54 0.00 0.00 174.62 174.59 2jcr s SER 136 N -2.83 7.03 -0.08 3.99 0.01 -1.26 -4.95 113.70 115.61 2jcr s SER 136 Ca 0.65 2.43 -0.28 0.00 1.31 0.00 0.00 55.95 60.07 2jcr s SER 136 Cb -0.20 -2.63 -0.02 0.00 0.21 0.00 0.00 66.02 63.37 2jcr s SER 136 CO 0.48 -0.33 0.91 -0.69 0.41 0.00 0.00 173.24 174.03 2jcr s VAL 137 N -1.17 4.88 -0.60 3.43 1.01 -1.26 -4.95 120.40 121.73 2jcr s VAL 137 Ca 0.47 1.86 0.05 0.00 0.00 0.00 0.00 61.98 64.36 2jcr s VAL 137 Cb -0.35 -4.23 0.05 0.00 0.00 0.00 0.00 36.38 31.85 2jcr s VAL 137 CO 0.45 0.10 0.72 0.35 0.00 0.00 0.00 175.10 176.72 2jcr n THR 138 N 4.25 0.13 -3.48 3.92 -2.24 -1.26 -4.75 114.28 110.85 2jcr n THR 138 Ca 0.05 -0.57 -0.13 0.00 -2.27 0.00 0.00 64.05 61.14 2jcr n THR 138 Cb 0.50 1.02 -0.03 0.00 -2.10 0.00 0.00 70.33 69.72 2jcr n THR 138 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2jcr s ASP 139 N -0.50 -0.52 -0.80 3.42 2.15 -1.26 -4.91 116.67 114.24 2jcr s ASP 139 Ca 0.06 0.08 0.02 0.00 0.43 0.00 0.00 52.55 53.14 2jcr s ASP 139 Cb 0.04 0.56 0.21 0.00 -0.30 0.00 0.00 42.92 43.43 2jcr s ASP 139 CO 0.06 -0.87 0.69 -0.11 -0.17 0.00 0.00 175.17 174.77 2jcr n LEU 140 N -0.08 3.77 0.17 -1.34 7.94 -1.26 -4.94 117.00 121.24 2jcr n LEU 140 Ca -0.17 -5.21 0.06 0.00 -1.11 0.00 0.00 56.01 49.58 2jcr n LEU 140 Cb 0.63 -0.92 0.55 0.00 0.53 0.00 0.00 43.42 44.22 2jcr n LEU 140 CO 0.15 1.70 1.09 1.55 -1.11 0.00 0.00 177.39 180.78 2jcr h PRO 141 N 5.51 0.19 -0.49 1.96 0.13 -1.80 -2.47 132.00 135.03 2jcr h PRO 141 Ca 0.16 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 2jcr h PRO 141 Cb 0.76 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.85 2jcr h PRO 141 CO 0.82 0.14 0.00 -1.71 -0.23 0.00 0.00 178.00 177.02 2jcr n ASN 142 N -4.50 5.14 -4.78 1.44 4.05 0.42 -4.96 115.26 112.07 2jcr n ASN 142 Ca -0.01 -2.92 -0.33 0.00 0.45 0.00 0.00 54.58 51.77 2jcr n ASN 142 Cb 0.09 -0.64 0.03 0.00 1.23 0.00 0.00 39.78 40.50 2jcr n ASN 142 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 2jcr s SER 143 N -1.12 5.34 0.53 1.20 1.04 -0.93 -4.55 113.70 115.20 2jcr s SER 143 Ca 0.51 1.97 0.03 0.00 0.48 0.00 0.00 55.95 58.94 2jcr s SER 143 Cb 0.39 -2.55 0.02 0.00 0.10 0.00 0.00 66.02 63.97 2jcr s SER 143 CO 0.15 -1.47 0.20 0.72 0.98 0.00 0.00 173.24 173.81 2jcr s PHE 144 N -2.31 1.70 0.35 5.02 -0.12 -0.13 -4.93 117.98 117.55 2jcr s PHE 144 Ca 0.67 -0.92 -0.29 0.00 -0.05 0.00 0.00 56.93 56.34 2jcr s PHE 144 Cb -0.20 -1.75 -0.11 0.00 -0.63 0.00 0.00 43.02 40.34 2jcr s PHE 144 CO 0.39 -0.12 1.54 0.34 -0.05 0.00 0.00 175.22 177.31 2jcr s ASP 145 N -4.08 6.32 0.00 1.98 -1.08 -1.26 -1.06 116.67 117.49 2jcr s ASP 145 Ca 0.18 3.04 0.00 0.00 -0.52 0.00 0.00 52.55 55.25 2jcr s ASP 145 Cb -0.01 -2.66 0.00 0.00 -1.46 0.00 0.00 42.92 38.80 2jcr s ASP 145 CO 0.11 -0.91 0.00 0.61 0.52 0.00 0.00 175.17 175.50 2jcr n GLY 146 N 1.07 -0.43 0.12 2.66 0.00 -1.26 -4.19 105.19 103.17 2jcr n GLY 146 Ca 0.04 -0.96 0.12 0.00 0.00 0.00 0.00 46.02 45.21 2jcr n GLY 146 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2jcr n PRO 147 N -0.09 0.34 -2.91 1.61 -0.04 -1.19 -2.96 135.00 129.75 2jcr n PRO 147 Ca 0.00 -0.24 -0.40 0.00 -0.04 0.00 0.00 63.50 62.83 2jcr n PRO 147 Cb 0.00 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.91 2jcr n PRO 147 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2jcr s VAL 148 N -2.83 4.35 -0.42 0.52 1.01 -0.32 -4.41 120.40 118.30 2jcr s VAL 148 Ca 0.14 1.81 -0.27 0.00 0.00 0.00 0.00 61.98 63.66 2jcr s VAL 148 Cb 0.18 -4.19 0.02 0.00 0.00 0.00 0.00 36.38 32.38 2jcr s VAL 148 CO 0.69 0.48 1.02 -0.89 0.00 0.00 0.00 175.10 176.40 2jcr s THR 149 N -0.93 4.42 -0.25 3.92 2.01 -0.68 -0.26 115.64 123.86 2jcr s THR 149 Ca 0.38 1.19 -0.07 0.00 0.31 0.00 0.00 61.69 63.50 2jcr s THR 149 Cb -0.23 -4.46 -0.02 0.00 0.01 0.00 0.00 72.50 67.79 2jcr s THR 149 CO 0.27 -0.76 0.06 -0.63 -0.69 0.00 0.00 174.62 172.87 2jcr s ILE 150 N 3.90 4.14 -0.17 1.82 1.01 0.14 -1.10 121.20 130.95 2jcr s ILE 150 Ca 0.42 -0.29 -0.00 0.00 0.00 0.00 0.00 60.65 60.79 2jcr s ILE 150 Cb -0.10 -2.96 0.00 0.00 0.01 0.00 0.00 42.46 39.41 2jcr s ILE 150 CO 0.24 0.31 -0.15 -0.89 0.00 0.00 0.00 174.94 174.46 2jcr s THR 151 N 1.58 2.66 -0.24 2.92 2.01 -0.33 -1.23 115.64 123.01 2jcr s THR 151 Ca 0.06 -0.76 -0.23 0.00 0.31 0.00 0.00 61.69 61.07 2jcr s THR 151 Cb -0.15 -2.14 -0.01 0.00 0.01 0.00 0.00 72.50 70.21 2jcr s THR 151 CO 0.03 0.51 0.76 -0.63 -0.69 0.00 0.00 174.62 174.59 2jcr s ILE 152 N 1.00 4.89 -0.24 1.82 -1.09 0.57 -0.80 121.20 127.34 2jcr s ILE 152 Ca -0.02 1.43 -0.04 0.00 -2.23 0.00 0.00 60.65 59.80 2jcr s ILE 152 Cb -0.15 -4.06 0.01 0.00 -1.58 0.00 0.00 42.46 36.68 2jcr s ILE 152 CO -0.03 -0.03 -0.02 -0.69 -1.23 0.00 0.00 174.94 172.94 2jcr s VAL 153 N 2.64 3.32 0.43 2.92 1.01 -0.26 -1.75 120.40 128.73 2jcr s VAL 153 Ca 0.32 -0.71 -0.06 0.00 0.00 0.00 0.00 61.98 61.54 2jcr s VAL 153 Cb -0.15 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.57 2jcr s VAL 153 CO 0.08 0.28 0.74 0.20 0.00 0.00 0.00 175.10 176.40 2jcr s ASN 154 N 1.43 6.34 0.53 3.32 0.01 -0.57 -2.04 114.94 123.96 2jcr s ASN 154 Ca 0.03 0.90 0.21 0.00 -0.71 0.00 0.00 52.86 53.30 2jcr s ASN 154 Cb -0.16 -2.23 1.34 0.00 0.41 0.00 0.00 41.25 40.61 2jcr s ASN 154 CO -0.03 -0.48 2.07 -0.09 -1.51 0.00 0.00 177.10 177.06 2jcr h ARG 155 N 0.63 0.00 -0.04 -0.60 2.43 -1.89 0.15 114.38 115.06 2jcr h ARG 155 Ca -0.47 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 2jcr h ARG 155 Cb 1.20 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 2jcr h ARG 155 CO 0.62 0.00 0.00 -0.40 -1.51 0.00 0.00 179.97 178.69 2jcr n ASP 156 N -4.45 0.44 0.00 -3.80 5.68 -1.26 -4.90 116.55 108.25 2jcr n ASP 156 Ca 0.04 -1.46 0.00 0.00 -0.50 0.00 0.00 54.79 52.87 2jcr n ASP 156 Cb 0.37 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.32 2jcr n ASP 156 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2jcr n GLY 157 N 0.90 1.50 3.69 6.12 0.00 0.53 -5.03 105.19 112.90 2jcr n GLY 157 Ca 0.15 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.73 2jcr n GLY 157 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2jcr n THR 158 N -2.00 0.43 -4.38 2.61 -1.04 -1.26 -4.71 114.28 103.93 2jcr n THR 158 Ca 0.00 -0.11 -0.28 0.00 -2.04 0.00 0.00 64.05 61.62 2jcr n THR 158 Cb 0.00 -1.63 -0.13 0.00 -1.82 0.00 0.00 70.33 66.76 2jcr n THR 158 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 2jcr s ARG 159 N 0.34 1.36 -0.05 -2.82 0.52 -1.26 -1.51 118.95 115.53 2jcr s ARG 159 Ca 0.73 -1.31 -0.02 0.00 -0.52 0.00 0.00 55.73 54.60 2jcr s ARG 159 Cb -0.63 -1.82 0.03 0.00 0.52 0.00 0.00 34.95 33.06 2jcr s ARG 159 CO 0.42 0.43 0.08 0.71 0.02 0.00 0.00 175.30 176.96 2jcr s TYR 160 N -1.07 0.03 0.09 -0.53 1.51 -0.72 -4.98 117.35 111.68 2jcr s TYR 160 Ca 0.13 0.29 0.06 0.00 -1.01 0.00 0.00 57.07 56.54 2jcr s TYR 160 Cb -0.10 -0.45 -0.04 0.00 -0.11 0.00 0.00 41.96 41.26 2jcr s TYR 160 CO 0.06 -0.22 -0.08 -1.12 -1.11 0.00 0.00 175.55 173.08 2jcr s SER 161 N 2.19 4.52 0.09 2.29 0.01 -1.26 -0.31 113.70 121.23 2jcr s SER 161 Ca 0.05 -0.32 -0.13 0.00 1.31 0.00 0.00 55.95 56.86 2jcr s SER 161 Cb -0.12 -0.92 0.02 0.00 0.21 0.00 0.00 66.02 65.20 2jcr s SER 161 CO -0.04 0.19 0.30 -1.59 0.41 0.00 0.00 173.24 172.51 2jcr s LYS 162 N -2.12 0.92 -0.13 12.44 -2.85 -0.37 -4.98 119.74 122.66 2jcr s LYS 162 Ca 0.22 -0.74 -0.15 0.00 -1.00 0.00 0.00 55.97 54.29 2jcr s LYS 162 Cb -0.11 0.39 -0.05 0.00 -2.06 0.00 0.00 37.83 36.00 2jcr s LYS 162 CO 0.14 -0.32 0.35 0.21 0.10 0.00 0.00 175.35 175.83 2jcr s LYS 163 N -3.49 4.20 0.00 1.78 2.20 -1.26 0.26 119.74 123.43 2jcr s LYS 163 Ca 0.02 0.23 0.00 0.00 -0.36 0.00 0.00 55.97 55.85 2jcr s LYS 163 Cb 0.02 -3.39 0.00 0.00 -1.51 0.00 0.00 37.83 32.95 2jcr s LYS 163 CO -0.09 0.30 0.00 0.41 -0.36 0.00 0.00 175.35 175.61 2jcr n GLY 164 N 3.08 -0.69 3.38 5.54 0.00 0.64 -4.64 105.19 112.50 2jcr n GLY 164 Ca -0.11 -0.46 -0.14 0.00 0.00 0.00 0.00 46.02 45.31 2jcr n GLY 164 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jcr s GLU 165 N -0.49 0.97 0.00 1.61 2.56 -0.22 -1.18 118.70 121.95 2jcr s GLU 165 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.97 54.80 2jcr s GLU 165 Cb 0.00 0.44 0.00 0.00 2.00 0.00 0.00 34.13 36.57 2jcr s GLU 165 CO 0.00 -0.33 0.00 2.48 -0.56 0.00 0.00 175.26 176.85 2jcr n TYR 166 N 0.62 0.00 -2.81 5.30 0.18 -1.26 -0.96 117.16 118.23 2jcr n TYR 166 Ca -0.19 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.18 2jcr n TYR 166 Cb 0.59 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.52 2jcr n TYR 166 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 2jcr s ARG 167 N -0.58 4.44 0.00 -3.48 0.52 -1.26 -4.64 118.95 113.95 2jcr s ARG 167 Ca 0.00 1.22 0.13 0.00 -0.52 0.00 0.00 55.73 56.55 2jcr s ARG 167 Cb 0.00 -3.50 0.08 0.00 0.52 0.00 0.00 34.95 32.04 2jcr s ARG 167 CO 0.00 -0.16 0.86 0.25 0.02 0.00 0.00 175.30 176.28 2jcr n THR 168 N 4.23 0.00 -4.21 0.02 -2.24 -1.26 -4.91 114.28 105.91 2jcr n THR 168 Ca 0.05 -0.47 -0.34 0.00 -2.27 0.00 0.00 64.05 61.02 2jcr n THR 168 Cb 0.50 1.24 -0.14 0.00 -2.10 0.00 0.00 70.33 69.83 2jcr n THR 168 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2jcr s HIS 169 N -1.20 2.90 0.26 4.78 3.76 -1.26 -5.01 115.29 119.52 2jcr s HIS 169 Ca 0.14 -0.89 -0.03 0.00 -0.15 0.00 0.00 55.06 54.13 2jcr s HIS 169 Cb 0.11 -2.00 0.39 0.00 1.11 0.00 0.00 32.58 32.19 2jcr s HIS 169 CO 0.20 -0.45 1.86 0.37 -0.85 0.00 0.00 174.74 175.87 2jcr h GLN 170 N 7.60 1.01 -1.10 1.40 5.75 -2.00 -1.28 115.11 126.50 2jcr h GLN 170 Ca -0.37 -0.06 0.31 0.00 -0.15 0.00 0.00 58.65 58.38 2jcr h GLN 170 Cb 1.18 -0.23 -0.11 0.00 1.07 0.00 0.00 27.48 29.39 2jcr h GLN 170 CO 0.60 0.67 0.70 0.93 -2.65 0.00 0.00 178.83 179.08 2jcr h GLU 171 N 1.04 0.31 0.00 1.69 3.07 -2.02 0.24 114.58 118.92 2jcr h GLU 171 Ca 0.41 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.26 2jcr h GLU 171 Cb 0.22 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.06 2jcr h GLU 171 CO -0.19 0.21 -0.03 -0.44 -1.40 0.00 0.00 179.01 177.15 2jcr h ASP 172 N 0.32 0.00 0.00 1.42 3.32 -1.66 -3.39 116.42 116.43 2jcr h ASP 172 Ca 0.66 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.70 2jcr h ASP 172 Cb 1.76 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.31 2jcr h ASP 172 CO -0.36 0.00 0.00 -0.38 -1.72 0.00 0.00 179.24 176.79 2jcr n ILE 173 N -2.62 0.00 0.00 0.35 5.41 0.78 -5.09 119.36 118.20 2jcr n ILE 173 Ca 0.05 0.13 0.00 0.00 1.00 0.00 0.00 62.75 63.93 2jcr n ILE 173 Cb 0.47 -0.89 0.00 0.00 -0.71 0.00 0.00 39.64 38.52 2jcr n ILE 173 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88