#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jmr s ALA 2 N 0.00 -1.86 0.00 3.17 0.00 -1.26 -5.11 121.76 116.71 2jmr s ALA 2 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.06 2jmr s ALA 2 Cb 0.00 0.64 0.00 0.00 0.00 0.00 0.00 23.12 23.76 2jmr s ALA 2 CO 0.00 -1.07 0.00 -3.47 0.00 0.00 0.00 175.76 171.22 2jmr n ASP 3 N -0.78 0.01 -4.78 0.00 2.03 -1.26 -5.09 116.55 106.68 2jmr n ASP 3 Ca -0.05 0.00 -0.35 0.00 0.52 0.00 0.00 54.79 54.91 2jmr n ASP 3 Cb 0.61 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 41.00 2jmr n ASP 3 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2jmr s SER 4 N -4.53 5.93 -0.71 1.67 0.01 -1.26 -4.93 113.70 109.87 2jmr s SER 4 Ca 0.00 2.17 0.05 0.00 1.31 0.00 0.00 55.95 59.48 2jmr s SER 4 Cb 0.00 -2.58 0.21 0.00 0.21 0.00 0.00 66.02 63.86 2jmr s SER 4 CO 0.00 -1.08 0.66 0.41 0.41 0.00 0.00 173.24 173.64 2jmr n THR 5 N -1.05 2.18 0.63 1.44 -1.04 -1.26 -4.88 114.28 110.31 2jmr n THR 5 Ca 0.10 -5.08 0.13 0.00 -2.04 0.00 0.00 64.05 57.16 2jmr n THR 5 Cb 0.50 -2.17 0.36 0.00 -1.82 0.00 0.00 70.33 67.21 2jmr n THR 5 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 2jmr n ILE 6 N 1.50 0.52 -0.14 12.58 2.08 -1.26 -4.93 119.36 129.71 2jmr n ILE 6 Ca 0.24 -0.27 0.00 0.00 0.56 0.00 0.00 62.75 63.28 2jmr n ILE 6 Cb 0.38 -0.48 0.00 0.00 -0.75 0.00 0.00 39.64 38.78 2jmr n ILE 6 CO 0.00 0.00 0.00 1.07 0.56 0.00 0.00 176.55 178.18 2jmr n THR 7 N -2.20 0.00 -1.59 1.39 5.66 -1.26 -5.03 114.28 111.25 2jmr n THR 7 Ca 0.05 0.00 -0.44 0.00 -3.05 0.00 0.00 64.05 60.61 2jmr n THR 7 Cb 0.43 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.19 2jmr n THR 7 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 2jmr n ILE 8 N -2.00 2.01 -0.01 1.09 5.41 -1.26 -4.95 119.36 119.64 2jmr n ILE 8 Ca 0.00 -0.50 -0.01 0.00 1.00 0.00 0.00 62.75 63.24 2jmr n ILE 8 Cb 0.00 -1.02 -0.02 0.00 -0.71 0.00 0.00 39.64 37.89 2jmr n ILE 8 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2jmr n ARG 9 N 0.70 2.81 -4.01 0.38 1.74 -1.26 -5.03 116.66 111.98 2jmr n ARG 9 Ca 0.09 -0.01 -0.13 0.00 -0.77 0.00 0.00 57.85 57.04 2jmr n ARG 9 Cb 0.32 -1.08 -0.13 0.00 -1.02 0.00 0.00 32.46 30.55 2jmr n ARG 9 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2jmr s GLY 10 N -3.16 0.18 -0.40 -0.13 0.00 -1.26 -5.12 107.32 97.43 2jmr s GLY 10 Ca -0.01 -0.24 0.03 0.00 0.00 0.00 0.00 44.72 44.49 2jmr s GLY 10 CO 0.12 -0.25 0.32 -0.47 0.00 0.00 0.00 173.10 172.83 2jmr s TYR 11 N -0.40 1.06 -0.04 1.90 5.04 -1.26 -4.87 117.35 118.78 2jmr s TYR 11 Ca -0.03 -2.22 0.15 0.00 -2.44 0.00 0.00 57.07 52.54 2jmr s TYR 11 Cb -0.03 -0.95 0.21 0.00 0.35 0.00 0.00 41.96 41.54 2jmr s TYR 11 CO -0.00 -0.82 1.51 -0.39 -1.34 0.00 0.00 175.55 174.50 2jmr h VAL 12 N 4.70 0.95 -1.91 3.14 -1.51 -1.97 -3.47 116.25 116.18 2jmr h VAL 12 Ca 0.23 -2.15 0.10 0.00 -1.23 0.00 0.00 66.70 63.65 2jmr h VAL 12 Cb 0.92 2.33 -0.19 0.00 -2.13 0.00 0.00 31.29 32.22 2jmr h VAL 12 CO 0.36 0.51 0.52 -0.60 -1.23 0.00 0.00 177.57 177.12 2jmr s ARG 13 N -3.11 0.71 -0.00 5.19 3.00 -1.26 -5.08 118.95 118.39 2jmr s ARG 13 Ca 0.03 -0.07 -0.06 0.00 -1.00 0.00 0.00 55.73 54.63 2jmr s ARG 13 Cb 0.09 0.33 -0.29 0.00 0.00 0.00 0.00 34.95 35.08 2jmr s ARG 13 CO 0.74 -0.27 0.85 -0.44 0.00 0.00 0.00 175.30 176.17 2jmr h ASP 14 N 2.29 0.47 -3.55 -2.12 3.32 -1.92 -3.15 116.42 111.76 2jmr h ASP 14 Ca -0.20 -0.64 -0.67 0.00 0.02 0.00 0.00 57.03 55.54 2jmr h ASP 14 Cb 1.20 -0.15 -0.29 0.00 0.22 0.00 0.00 39.33 40.31 2jmr h ASP 14 CO 0.31 1.53 -0.69 0.20 -1.72 0.00 0.00 179.24 178.87 2jmr s ASN 15 N -7.09 4.67 0.00 6.45 0.02 -1.26 -1.94 114.94 115.79 2jmr s ASN 15 Ca -0.10 -0.76 0.00 0.00 -1.02 0.00 0.00 52.86 50.98 2jmr s ASN 15 Cb 0.06 -1.77 0.00 0.00 0.02 0.00 0.00 41.25 39.57 2jmr s ASN 15 CO 0.86 -0.15 0.00 0.61 0.02 0.00 0.00 177.10 178.45 2jmr n GLY 16 N 4.76 -1.22 3.15 0.66 0.00 -1.26 -4.97 105.19 106.31 2jmr n GLY 16 Ca -0.16 -1.61 -0.24 0.00 0.00 0.00 0.00 46.02 44.02 2jmr n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jmr s SER 18 N -0.49 5.79 0.29 0.00 0.01 -0.31 -4.92 113.70 114.07 2jmr s SER 18 Ca 0.06 1.98 -0.24 0.00 1.31 0.00 0.00 55.95 59.06 2jmr s SER 18 Cb -0.07 -2.56 -0.09 0.00 0.21 0.00 0.00 66.02 63.51 2jmr s SER 18 CO -0.00 -1.17 0.88 0.54 0.41 0.00 0.00 173.24 173.91 2jmr s VAL 19 N -2.12 4.30 0.90 3.43 0.11 -1.26 -0.91 120.40 124.86 2jmr s VAL 19 Ca 0.68 1.69 -0.12 0.00 -2.93 0.00 0.00 61.98 61.30 2jmr s VAL 19 Cb -0.19 -3.98 0.13 0.00 -1.53 0.00 0.00 36.38 30.81 2jmr s VAL 19 CO 0.30 0.18 1.13 0.00 -3.33 0.00 0.00 175.10 173.38 2jmr s ALA 20 N -1.57 1.77 0.40 1.54 0.00 -0.93 -4.62 121.76 118.35 2jmr s ALA 20 Ca 0.48 -0.46 0.34 0.00 0.00 0.00 0.00 51.96 52.32 2jmr s ALA 20 Cb -0.18 -3.05 1.72 0.00 0.00 0.00 0.00 23.12 21.61 2jmr s ALA 20 CO 0.23 -2.25 2.14 0.00 0.00 0.00 0.00 175.76 175.88 2jmr h ALA 21 N -1.47 1.12 -0.12 0.00 0.00 -1.89 -2.61 119.26 114.29 2jmr h ALA 21 Ca -0.50 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.32 2jmr h ALA 21 Cb 1.32 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 2jmr h ALA 21 CO 0.61 0.06 0.05 -0.85 0.00 0.00 0.00 179.25 179.13 2jmr n GLU 22 N -3.31 1.36 0.00 0.00 0.28 -1.26 -4.01 120.64 113.70 2jmr n GLU 22 Ca -0.01 -0.46 0.00 0.00 -0.16 0.00 0.00 57.16 56.53 2jmr n GLU 22 Cb 0.21 -1.37 0.00 0.00 1.43 0.00 0.00 31.44 31.71 2jmr n GLU 22 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 2jmr n SER 23 N 0.18 0.00 -4.69 -1.84 7.64 -0.99 -4.85 113.62 109.07 2jmr n SER 23 Ca 0.07 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.53 2jmr n SER 23 Cb 0.55 0.01 -0.03 0.00 -1.01 0.00 0.00 64.21 63.74 2jmr n SER 23 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2jmr s THR 24 N -1.47 3.26 -1.17 0.44 -1.32 -1.19 -3.82 115.64 110.38 2jmr s THR 24 Ca 0.00 0.73 0.00 0.00 -1.21 0.00 0.00 61.69 61.21 2jmr s THR 24 Cb 0.00 -3.47 0.00 0.00 -1.51 0.00 0.00 72.50 67.52 2jmr s THR 24 CO 0.00 0.01 0.00 0.59 -2.21 0.00 0.00 174.62 173.01 2jmr n ASN 25 N 5.27 -4.28 -2.19 8.08 5.03 -1.13 -4.86 115.26 121.19 2jmr n ASN 25 Ca 0.14 0.25 -0.02 0.00 0.87 0.00 0.00 54.58 55.82 2jmr n ASN 25 Cb 0.42 -2.85 0.01 0.00 -1.02 0.00 0.00 39.78 36.33 2jmr n ASN 25 CO 0.00 0.00 0.00 2.22 -1.83 0.00 0.00 177.26 177.65 2jmr n PHE 26 N -2.82 -3.31 -4.43 3.10 -1.74 -1.25 -5.07 117.46 101.93 2jmr n PHE 26 Ca -0.12 -0.13 -0.25 0.00 -0.56 0.00 0.00 57.45 56.40 2jmr n PHE 26 Cb 0.40 -0.05 -0.13 0.00 1.52 0.00 0.00 39.48 41.21 2jmr n PHE 26 CO 0.00 0.00 0.00 0.99 -0.56 0.00 0.00 176.76 177.19 2jmr s THR 27 N 0.06 1.70 -0.19 1.97 2.01 -1.26 -4.34 115.64 115.59 2jmr s THR 27 Ca 0.05 -1.41 -0.02 0.00 0.31 0.00 0.00 61.69 60.62 2jmr s THR 27 Cb -0.00 -1.52 -0.01 0.00 0.01 0.00 0.00 72.50 70.98 2jmr s THR 27 CO 0.03 0.05 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.23 2jmr s VAL 28 N -1.02 3.11 -0.31 3.82 1.01 -0.60 -5.00 120.40 121.42 2jmr s VAL 28 Ca 0.07 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 61.47 2jmr s VAL 28 Cb -0.10 -2.37 0.09 0.00 0.00 0.00 0.00 36.38 34.00 2jmr s VAL 28 CO 0.03 0.47 0.04 1.51 0.00 0.00 0.00 175.10 177.15 2jmr s ASP 29 N 1.12 4.30 0.00 3.32 1.47 -1.26 -0.34 116.67 125.29 2jmr s ASP 29 Ca 0.01 -1.75 0.00 0.00 1.18 0.00 0.00 52.55 51.99 2jmr s ASP 29 Cb -0.14 -1.26 0.00 0.00 -0.34 0.00 0.00 42.92 41.18 2jmr s ASP 29 CO -0.02 -0.36 0.00 0.18 0.68 0.00 0.00 175.17 175.65 2jmr n LEU 30 N 4.56 1.12 0.00 2.11 4.32 -1.26 -5.03 117.00 122.81 2jmr n LEU 30 Ca -0.02 0.17 0.00 0.00 -0.02 0.00 0.00 56.01 56.14 2jmr n LEU 30 Cb 0.42 -0.24 0.00 0.00 -1.62 0.00 0.00 43.42 41.99 2jmr n LEU 30 CO 0.17 -0.24 0.00 0.23 -1.22 0.00 0.00 177.39 176.33 2jmr n MET 31 N -1.43 0.00 -1.79 3.23 2.81 -1.26 -5.09 117.12 113.58 2jmr n MET 31 Ca 0.00 0.00 -0.30 0.00 -1.81 0.00 0.00 57.70 55.59 2jmr n MET 31 Cb 0.00 0.00 0.06 0.00 -0.71 0.00 0.00 33.22 32.57 2jmr n MET 31 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 2jmr s GLU 32 N -2.14 2.70 0.45 0.03 8.01 -1.26 -4.63 118.70 121.86 2jmr s GLU 32 Ca 0.00 0.53 0.04 0.00 0.01 0.00 0.00 54.97 55.55 2jmr s GLU 32 Cb 0.00 -2.00 -0.04 0.00 -4.31 0.00 0.00 34.13 27.78 2jmr s GLU 32 CO 0.00 -1.17 0.02 -0.80 0.01 0.00 0.00 175.26 173.33 2jmr s ASN 33 N -4.23 3.77 -0.10 -0.19 -0.87 0.22 -4.90 114.94 108.64 2jmr s ASN 33 Ca 0.59 -1.53 -0.04 0.00 -1.57 0.00 0.00 52.86 50.31 2jmr s ASN 33 Cb -0.12 0.13 0.05 0.00 -0.02 0.00 0.00 41.25 41.29 2jmr s ASN 33 CO 0.53 -0.69 0.20 0.00 -2.57 0.00 0.00 177.10 174.56 2jmr s ALA 34 N -2.88 -0.33 0.30 0.60 0.00 -1.26 -0.71 121.76 117.48 2jmr s ALA 34 Ca 0.21 0.73 0.06 0.00 0.00 0.00 0.00 51.96 52.96 2jmr s ALA 34 Cb 0.05 -0.81 0.75 0.00 0.00 0.00 0.00 23.12 23.11 2jmr s ALA 34 CO 0.11 -0.50 1.77 0.00 0.00 0.00 0.00 175.76 177.13 2jmr h ALA 35 N 8.08 1.66 0.00 0.00 0.00 -0.69 -2.83 119.26 125.47 2jmr h ALA 35 Ca -0.20 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2jmr h ALA 35 Cb 1.12 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2jmr h ALA 35 CO 0.20 -0.09 0.00 0.36 0.00 0.00 0.00 179.25 179.72 2jmr n LYS 36 N -4.80 0.58 -0.00 0.00 -0.00 -1.23 -2.45 118.16 110.25 2jmr n LYS 36 Ca 0.24 0.03 0.09 0.00 -0.00 0.00 0.00 58.31 58.66 2jmr n LYS 36 Cb 0.59 -1.50 -0.12 0.00 -0.00 0.00 0.00 35.03 34.00 2jmr n LYS 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2jmr n GLN 37 N -1.09 0.81 -1.46 -1.58 10.64 -1.07 -4.67 117.38 118.96 2jmr n GLN 37 Ca 0.15 -0.07 -0.31 0.00 -1.83 0.00 0.00 57.00 54.94 2jmr n GLN 37 Cb 0.11 -1.39 0.08 0.00 -0.86 0.00 0.00 30.24 28.17 2jmr n GLN 37 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 2jmr n PHE 38 N -1.73 3.07 0.83 2.61 3.72 -1.03 -4.67 117.46 120.26 2jmr n PHE 38 Ca 0.01 -2.77 0.00 0.00 -0.05 0.00 0.00 57.45 54.64 2jmr n PHE 38 Cb 0.37 -1.17 0.03 0.00 -0.94 0.00 0.00 39.48 37.77 2jmr n PHE 38 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 2jmr n ASN 39 N -0.89 1.79 0.00 4.37 6.94 -1.26 -4.28 115.26 121.93 2jmr n ASN 39 Ca 0.58 -2.10 0.00 0.00 -0.02 0.00 0.00 54.58 53.04 2jmr n ASN 39 Cb 0.79 -0.52 0.00 0.00 -2.36 0.00 0.00 39.78 37.69 2jmr n ASN 39 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 2jmr n ASN 40 N 0.12 0.00 0.10 0.53 2.04 -1.26 -4.92 115.26 111.87 2jmr n ASN 40 Ca 0.03 0.00 0.13 0.00 -0.44 0.00 0.00 54.58 54.30 2jmr n ASN 40 Cb 0.39 0.00 0.32 0.00 -2.53 0.00 0.00 39.78 37.96 2jmr n ASN 40 CO 0.00 0.00 0.00 0.40 -0.44 0.00 0.00 177.26 177.22 2jmr h ILE 41 N 1.18 0.00 0.00 1.53 5.03 -1.88 -2.99 117.51 120.38 2jmr h ILE 41 Ca 0.00 -0.53 0.00 0.00 -0.12 0.00 0.00 64.86 64.21 2jmr h ILE 41 Cb 0.00 1.40 0.00 0.00 -3.03 0.00 0.00 36.82 35.19 2jmr h ILE 41 CO 0.00 0.00 0.00 0.61 -0.68 0.00 0.00 178.15 178.08 2jmr n GLY 42 N 1.30 -0.86 2.57 5.37 0.00 -1.26 -4.54 105.19 107.77 2jmr n GLY 42 Ca 0.05 -0.15 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 2jmr n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jmr n ALA 43 N -0.94 6.15 -2.52 4.61 0.00 -1.13 -4.93 120.51 121.74 2jmr n ALA 43 Ca 0.18 -3.47 -0.43 0.00 0.00 0.00 0.00 53.44 49.72 2jmr n ALA 43 Cb 0.08 -3.42 -0.02 0.00 0.00 0.00 0.00 19.45 16.09 2jmr n ALA 43 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2jmr s THR 44 N 2.93 4.10 1.04 0.00 -4.23 -1.26 -4.22 115.64 114.00 2jmr s THR 44 Ca 0.57 1.11 -0.12 0.00 -1.18 0.00 0.00 61.69 62.07 2jmr s THR 44 Cb 0.15 -4.50 0.21 0.00 1.34 0.00 0.00 72.50 69.71 2jmr s THR 44 CO -0.05 -0.96 1.07 0.42 -0.54 0.00 0.00 174.62 174.56 2jmr s THR 45 N 4.79 2.18 -0.43 3.99 -4.23 -1.25 -4.92 115.64 115.76 2jmr s THR 45 Ca 0.52 0.06 -0.27 0.00 -1.18 0.00 0.00 61.69 60.81 2jmr s THR 45 Cb -0.09 -2.31 -0.03 0.00 1.34 0.00 0.00 72.50 71.41 2jmr s THR 45 CO 0.32 -0.07 1.95 -2.16 -0.54 0.00 0.00 174.62 174.12 2jmr s PRO 46 N -4.71 2.89 0.43 3.99 0.04 -1.26 -4.92 135.00 131.46 2jmr s PRO 46 Ca 0.66 1.22 -0.25 0.00 0.04 0.00 0.00 61.00 62.67 2jmr s PRO 46 Cb -0.22 -4.34 -0.08 0.00 0.04 0.00 0.00 34.50 29.91 2jmr s PRO 46 CO 0.60 -2.39 1.28 0.14 0.04 0.00 0.00 177.00 176.68 2jmr s VAL 47 N 8.57 2.66 -0.06 -0.36 -7.23 -1.26 -4.92 120.40 117.79 2jmr s VAL 47 Ca 0.80 0.56 0.02 0.00 -1.81 0.00 0.00 61.98 61.56 2jmr s VAL 47 Cb -0.19 -3.32 -0.03 0.00 0.56 0.00 0.00 36.38 33.40 2jmr s VAL 47 CO 0.28 0.06 -0.11 -0.69 -0.31 0.00 0.00 175.10 174.33 2jmr s VAL 48 N -1.32 3.33 0.22 1.32 1.01 -0.48 -4.91 120.40 119.58 2jmr s VAL 48 Ca 0.59 -0.62 -0.30 0.00 0.00 0.00 0.00 61.98 61.66 2jmr s VAL 48 Cb -0.37 -2.34 -0.10 0.00 0.00 0.00 0.00 36.38 33.58 2jmr s VAL 48 CO 0.46 0.59 1.46 -2.16 0.00 0.00 0.00 175.10 175.45 2jmr s PRO 49 N -0.67 4.26 0.30 2.72 0.04 -1.26 -0.45 135.00 139.94 2jmr s PRO 49 Ca 0.10 2.30 0.02 0.00 0.04 0.00 0.00 61.00 63.46 2jmr s PRO 49 Cb -0.11 -3.13 -0.02 0.00 0.04 0.00 0.00 34.50 31.27 2jmr s PRO 49 CO 0.01 -0.46 0.29 -0.59 0.04 0.00 0.00 177.00 176.29 2jmr s PHE 50 N 0.33 1.40 0.14 0.56 -0.71 -1.08 -4.83 117.98 113.80 2jmr s PHE 50 Ca 0.62 -1.47 -0.25 0.00 -1.04 0.00 0.00 56.93 54.78 2jmr s PHE 50 Cb -0.42 -0.50 0.07 0.00 -1.21 0.00 0.00 43.02 40.96 2jmr s PHE 50 CO 0.40 -0.88 1.00 -0.98 -1.34 0.00 0.00 175.22 173.42 2jmr s ARG 51 N -3.57 1.11 -0.65 1.99 1.04 -1.26 -3.54 118.95 114.08 2jmr s ARG 51 Ca 0.37 -0.62 -0.07 0.00 -1.04 0.00 0.00 55.73 54.37 2jmr s ARG 51 Cb 0.03 0.37 0.17 0.00 -2.04 0.00 0.00 34.95 33.48 2jmr s ARG 51 CO 0.21 -0.51 0.52 0.42 -0.04 0.00 0.00 175.30 175.90 2jmr s ILE 52 N -3.13 4.38 -0.20 4.99 1.01 -1.26 -4.99 121.20 122.00 2jmr s ILE 52 Ca 0.13 -2.56 -0.32 0.00 0.00 0.00 0.00 60.65 57.90 2jmr s ILE 52 Cb -0.01 -3.81 -0.09 0.00 0.01 0.00 0.00 42.46 38.56 2jmr s ILE 52 CO 0.02 -0.90 2.09 -0.11 0.00 0.00 0.00 174.94 176.03 2jmr n LEU 53 N 3.94 3.07 -4.51 2.97 -0.00 -1.26 -4.66 117.00 116.55 2jmr n LEU 53 Ca 0.06 0.56 -0.42 0.00 -0.00 0.00 0.00 56.01 56.22 2jmr n LEU 53 Cb 0.41 -1.41 -0.10 0.00 -0.00 0.00 0.00 43.42 42.32 2jmr n LEU 53 CO 0.35 -0.43 -0.04 -0.76 -0.00 0.00 0.00 177.39 176.52 2jmr s LEU 54 N 6.38 4.72 -0.09 -1.96 2.01 -0.47 -2.19 118.68 127.08 2jmr s LEU 54 Ca 1.00 -0.55 -0.16 0.00 0.01 0.00 0.00 54.13 54.43 2jmr s LEU 54 Cb -0.61 -2.23 0.04 0.00 0.01 0.00 0.00 46.19 43.40 2jmr s LEU 54 CO 0.45 -0.37 0.40 -0.55 1.01 0.00 0.00 176.35 177.29 2jmr s SER 55 N 1.73 -0.36 0.94 2.29 0.15 -0.09 -3.90 113.70 114.46 2jmr s SER 55 Ca 0.08 0.54 -0.12 0.00 0.70 0.00 0.00 55.95 57.15 2jmr s SER 55 Cb -0.18 0.62 0.16 0.00 -1.71 0.00 0.00 66.02 64.91 2jmr s SER 55 CO 0.11 -0.30 1.12 -2.16 1.20 0.00 0.00 173.24 173.21 2jmr s PRO 56 N -0.50 0.89 0.23 5.44 0.04 -1.26 -2.96 135.00 136.88 2jmr s PRO 56 Ca -0.06 0.39 0.05 0.00 0.04 0.00 0.00 61.00 61.41 2jmr s PRO 56 Cb -0.04 -1.80 -0.05 0.00 0.04 0.00 0.00 34.50 32.65 2jmr s PRO 56 CO 0.03 -2.39 -0.04 0.00 0.04 0.00 0.00 177.00 174.63 2jmr n GLY 58 N -0.43 -0.16 0.35 0.00 0.00 -1.19 -4.25 105.19 99.50 2jmr n GLY 58 Ca -0.06 -1.75 0.06 0.00 0.00 0.00 0.00 46.02 44.27 2jmr n GLY 58 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2jmr n ASN 59 N -0.83 1.58 -3.57 1.61 4.05 -1.04 -1.55 115.26 115.51 2jmr n ASN 59 Ca 0.00 -1.29 -0.28 0.00 0.45 0.00 0.00 54.58 53.46 2jmr n ASN 59 Cb 0.00 0.29 -0.11 0.00 1.23 0.00 0.00 39.78 41.19 2jmr n ASN 59 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2jmr s ALA 60 N -1.31 1.86 0.12 5.20 0.00 -0.82 -4.82 121.76 121.99 2jmr s ALA 60 Ca 0.11 -2.58 -0.07 0.00 0.00 0.00 0.00 51.96 49.43 2jmr s ALA 60 Cb 0.10 -1.76 -0.01 0.00 0.00 0.00 0.00 23.12 21.44 2jmr s ALA 60 CO 0.24 -2.04 0.18 0.14 0.00 0.00 0.00 175.76 174.28 2jmr s VAL 61 N 0.11 0.12 0.00 0.00 -7.23 -1.26 -4.04 120.40 108.09 2jmr s VAL 61 Ca 0.25 -1.43 0.00 0.00 -1.81 0.00 0.00 61.98 58.98 2jmr s VAL 61 Cb -0.10 -1.65 0.00 0.00 0.56 0.00 0.00 36.38 35.18 2jmr s VAL 61 CO -0.10 -0.52 0.00 -0.24 -0.31 0.00 0.00 175.10 173.93 2jmr n SER 62 N -0.11 0.00 -3.56 4.85 2.88 -1.24 -4.82 113.62 111.62 2jmr n SER 62 Ca -0.11 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.27 2jmr n SER 62 Cb 0.63 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.02 2jmr n SER 62 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jmr s ALA 63 N -1.00 -1.79 0.56 -1.46 0.00 -1.26 -1.21 121.76 115.60 2jmr s ALA 63 Ca 0.00 1.55 -0.02 0.00 0.00 0.00 0.00 51.96 53.48 2jmr s ALA 63 Cb 0.00 -0.41 0.02 0.00 0.00 0.00 0.00 23.12 22.73 2jmr s ALA 63 CO 0.00 -0.35 0.82 0.08 0.00 0.00 0.00 175.76 176.31 2jmr s VAL 64 N -0.72 3.18 -0.18 0.00 1.01 -1.26 -3.90 120.40 118.51 2jmr s VAL 64 Ca -0.07 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 61.53 2jmr s VAL 64 Cb -0.02 -3.23 0.02 0.00 0.00 0.00 0.00 36.38 33.16 2jmr s VAL 64 CO 0.06 -0.20 -0.18 -0.54 0.00 0.00 0.00 175.10 174.25 2jmr s LYS 65 N -4.85 2.82 0.49 2.72 3.01 0.04 -4.47 119.74 119.50 2jmr s LYS 65 Ca 0.55 -0.84 -0.18 0.00 -1.01 0.00 0.00 55.97 54.48 2jmr s LYS 65 Cb -0.10 -2.54 -0.09 0.00 -1.01 0.00 0.00 37.83 34.09 2jmr s LYS 65 CO 0.41 -0.25 0.98 0.54 0.51 0.00 0.00 175.35 177.54 2jmr s VAL 66 N 1.30 4.40 -0.29 3.17 0.11 -1.26 -0.83 120.40 127.00 2jmr s VAL 66 Ca 0.04 1.27 -0.04 0.00 -2.93 0.00 0.00 61.98 60.32 2jmr s VAL 66 Cb -0.14 -3.65 0.10 0.00 -1.53 0.00 0.00 36.38 31.17 2jmr s VAL 66 CO -0.12 -0.54 0.14 -0.83 -3.33 0.00 0.00 175.10 170.43 2jmr s GLY 67 N -2.72 0.44 -0.39 6.54 0.00 -1.11 -4.88 107.32 105.20 2jmr s GLY 67 Ca 0.61 -1.04 -0.27 0.00 0.00 0.00 0.00 44.72 44.02 2jmr s GLY 67 CO 0.25 2.12 0.99 -1.36 0.00 0.00 0.00 173.10 175.10 2jmr s PHE 68 N 2.11 3.02 0.19 1.90 0.08 -1.26 -1.05 117.98 122.98 2jmr s PHE 68 Ca 0.09 0.79 0.06 0.00 0.12 0.00 0.00 56.93 57.99 2jmr s PHE 68 Cb -0.16 -3.84 -0.05 0.00 -0.57 0.00 0.00 43.02 38.40 2jmr s PHE 68 CO -0.36 -0.93 -0.11 0.95 -0.10 0.00 0.00 175.22 174.66 2jmr s THR 69 N 3.72 1.49 -5.00 0.64 -4.23 0.03 -1.31 115.64 110.97 2jmr s THR 69 Ca 0.41 -2.14 0.00 0.00 -1.18 0.00 0.00 61.69 58.78 2jmr s THR 69 Cb -0.11 -2.03 0.00 0.00 1.34 0.00 0.00 72.50 71.70 2jmr s THR 69 CO 0.21 -0.61 0.00 0.61 -0.54 0.00 0.00 174.62 174.30 2jmr n GLY 70 N -0.33 0.09 3.65 3.99 0.00 -1.26 -1.54 105.19 109.79 2jmr n GLY 70 Ca -0.08 -1.80 -0.42 0.00 0.00 0.00 0.00 46.02 43.72 2jmr n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jmr s VAL 71 N -1.32 3.03 0.32 1.61 0.11 -1.26 -4.84 120.40 118.04 2jmr s VAL 71 Ca 0.00 0.03 -0.26 0.00 -2.93 0.00 0.00 61.98 58.81 2jmr s VAL 71 Cb 0.00 -3.02 -0.10 0.00 -1.53 0.00 0.00 36.38 31.73 2jmr s VAL 71 CO 0.00 -0.00 0.97 0.00 -3.33 0.00 0.00 175.10 172.73 2jmr s ALA 72 N 5.03 3.22 0.63 1.54 0.00 -1.26 -1.12 121.76 129.79 2jmr s ALA 72 Ca 0.90 0.58 -0.18 0.00 0.00 0.00 0.00 51.96 53.26 2jmr s ALA 72 Cb -0.41 -3.21 -0.02 0.00 0.00 0.00 0.00 23.12 19.48 2jmr s ALA 72 CO 0.40 0.11 1.21 0.34 0.00 0.00 0.00 175.76 177.83 2jmr s ASP 73 N -1.51 4.95 0.31 0.00 2.15 -0.07 -4.56 116.67 117.93 2jmr s ASP 73 Ca 0.50 2.40 0.01 0.00 0.43 0.00 0.00 52.55 55.88 2jmr s ASP 73 Cb -0.21 -2.60 0.51 0.00 -0.30 0.00 0.00 42.92 40.32 2jmr s ASP 73 CO 0.26 -1.76 1.90 -1.28 -0.17 0.00 0.00 175.17 174.13 2jmr h SER 74 N 0.61 0.73 0.00 -0.34 0.87 -1.96 -3.19 113.55 110.28 2jmr h SER 74 Ca -0.50 -0.09 -0.31 0.00 -1.23 0.00 0.00 61.79 59.67 2jmr h SER 74 Cb 1.30 -0.19 -0.05 0.00 -0.44 0.00 0.00 62.40 63.02 2jmr h SER 74 CO 0.54 0.65 -2.11 1.41 -0.53 0.00 0.00 176.83 176.79 2jmr n HIS 75 N -4.34 0.00 -3.79 2.24 8.25 -1.26 -4.65 115.22 111.67 2jmr n HIS 75 Ca 0.05 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.22 2jmr n HIS 75 Cb 0.15 -0.74 -0.13 0.00 1.12 0.00 0.00 29.99 30.40 2jmr n HIS 75 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2jmr s ASN 76 N -6.23 3.89 0.00 0.41 0.01 -1.26 -5.00 114.94 106.77 2jmr s ASN 76 Ca -0.27 -3.05 0.08 0.00 -0.71 0.00 0.00 52.86 48.91 2jmr s ASN 76 Cb 0.08 -1.28 0.45 0.00 0.41 0.00 0.00 41.25 40.92 2jmr s ASN 76 CO 0.41 -0.21 1.07 0.00 -1.51 0.00 0.00 177.10 176.87 2jmr n ALA 77 N 3.00 1.66 0.14 0.60 0.00 -1.20 -1.21 120.51 123.48 2jmr n ALA 77 Ca 0.12 -0.04 0.02 0.00 0.00 0.00 0.00 53.44 53.54 2jmr n ALA 77 Cb 0.35 -1.14 0.39 0.00 0.00 0.00 0.00 19.45 19.05 2jmr n ALA 77 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2jmr h ASN 78 N 0.00 0.18 -1.92 0.00 4.21 -1.92 -3.39 115.58 112.72 2jmr h ASN 78 Ca 0.00 -0.04 -0.45 0.00 1.21 0.00 0.00 56.30 57.02 2jmr h ASN 78 Cb 0.05 -0.05 -0.00 0.00 -1.12 0.00 0.00 38.32 37.20 2jmr h ASN 78 CO 0.00 0.38 -0.37 -0.76 -1.29 0.00 0.00 177.43 175.38 2jmr s LEU 79 N -8.66 4.07 -0.26 1.61 2.01 -0.35 -2.29 118.68 114.80 2jmr s LEU 79 Ca -0.05 -0.12 -0.22 0.00 0.01 0.00 0.00 54.13 53.76 2jmr s LEU 79 Cb 0.15 -2.76 -0.01 0.00 0.01 0.00 0.00 46.19 43.57 2jmr s LEU 79 CO 0.73 -0.31 0.69 -0.22 1.01 0.00 0.00 176.35 178.25 2jmr s LEU 80 N -4.10 4.08 0.58 1.79 0.20 -0.63 -0.89 118.68 119.70 2jmr s LEU 80 Ca 0.41 0.73 -0.16 0.00 0.69 0.00 0.00 54.13 55.80 2jmr s LEU 80 Cb -0.09 -2.94 -0.04 0.00 -0.43 0.00 0.00 46.19 42.68 2jmr s LEU 80 CO 0.30 -0.44 1.06 0.00 -0.29 0.00 0.00 176.35 176.98 2jmr s ALA 81 N 2.64 2.75 1.00 5.97 0.00 -0.28 -0.59 121.76 133.26 2jmr s ALA 81 Ca 0.29 0.43 -0.17 0.00 0.00 0.00 0.00 51.96 52.51 2jmr s ALA 81 Cb -0.15 -3.24 0.21 0.00 0.00 0.00 0.00 23.12 19.94 2jmr s ALA 81 CO 0.09 -0.76 1.28 -0.51 0.00 0.00 0.00 175.76 175.86 2jmr s LEU 82 N -4.38 2.32 0.00 0.00 2.01 -1.26 -4.61 118.68 112.76 2jmr s LEU 82 Ca 0.64 0.35 0.00 0.00 0.01 0.00 0.00 54.13 55.14 2jmr s LEU 82 Cb -0.16 -2.35 0.00 0.00 0.01 0.00 0.00 46.19 43.69 2jmr s LEU 82 CO 0.35 -2.98 0.40 -1.84 1.01 0.00 0.00 176.35 173.29 2jmr n GLU 83 N -3.95 0.00 -3.57 1.70 0.28 -1.26 -4.84 120.64 109.00 2jmr n GLU 83 Ca 0.15 0.00 -0.20 0.00 -0.16 0.00 0.00 57.16 56.94 2jmr n GLU 83 Cb 0.59 -1.49 0.05 0.00 1.43 0.00 0.00 31.44 32.03 2jmr n GLU 83 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 2jmr n ASN 84 N -0.90 -2.44 -3.75 -1.84 4.05 -1.26 -4.99 115.26 104.13 2jmr n ASN 84 Ca 0.00 -0.77 -0.10 0.00 0.45 0.00 0.00 54.58 54.16 2jmr n ASN 84 Cb 0.00 -4.41 -0.06 0.00 1.23 0.00 0.00 39.78 36.54 2jmr n ASN 84 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 2jmr s THR 85 N -3.54 0.10 0.55 -0.44 2.01 -1.26 -5.05 115.64 108.00 2jmr s THR 85 Ca 0.10 -0.89 0.21 0.00 0.31 0.00 0.00 61.69 61.42 2jmr s THR 85 Cb -0.02 -1.28 0.30 0.00 0.01 0.00 0.00 72.50 71.51 2jmr s THR 85 CO 0.79 -0.47 2.19 1.62 -0.69 0.00 0.00 174.62 178.06 2jmr h VAL 86 N 2.55 0.82 0.00 3.82 3.04 -1.96 -0.39 116.25 124.13 2jmr h VAL 86 Ca -0.34 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.35 2jmr h VAL 86 Cb 1.23 1.00 0.00 0.00 -2.01 0.00 0.00 31.29 31.51 2jmr h VAL 86 CO 0.51 0.00 0.00 -1.20 -1.01 0.00 0.00 177.57 175.87 2jmr n SER 87 N -4.28 0.66 -4.60 3.17 7.64 -1.26 -4.87 113.62 110.07 2jmr n SER 87 Ca -0.03 0.66 -0.23 0.00 1.01 0.00 0.00 58.87 60.27 2jmr n SER 87 Cb 0.09 -0.80 -0.08 0.00 -1.01 0.00 0.00 64.21 62.41 2jmr n SER 87 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jmr s ALA 88 N -3.29 3.06 1.07 -0.43 0.00 -0.16 -2.11 121.76 119.90 2jmr s ALA 88 Ca 0.05 -1.69 -0.12 0.00 0.00 0.00 0.00 51.96 50.20 2jmr s ALA 88 Cb 0.09 -0.66 0.23 0.00 0.00 0.00 0.00 23.12 22.78 2jmr s ALA 88 CO 0.40 0.28 1.07 0.00 0.00 0.00 0.00 175.76 177.52 2jmr s ALA 89 N -2.33 0.27 0.08 0.00 0.00 -0.40 -4.30 121.76 115.07 2jmr s ALA 89 Ca 0.31 0.17 -0.10 0.00 0.00 0.00 0.00 51.96 52.33 2jmr s ALA 89 Cb -0.06 -3.33 0.01 0.00 0.00 0.00 0.00 23.12 19.73 2jmr s ALA 89 CO 0.19 -3.44 0.23 0.45 0.00 0.00 0.00 175.76 173.19 2jmr s SER 90 N -2.56 0.03 -1.55 0.00 0.15 -1.26 -4.80 113.70 103.71 2jmr s SER 90 Ca 0.68 -0.51 0.00 0.00 0.70 0.00 0.00 55.95 56.82 2jmr s SER 90 Cb -0.24 0.35 0.00 0.00 -1.71 0.00 0.00 66.02 64.42 2jmr s SER 90 CO 0.62 -0.71 0.00 0.61 1.20 0.00 0.00 173.24 174.96 2jmr n GLY 91 N 0.10 1.34 2.50 9.45 0.00 -1.26 -4.60 105.19 112.71 2jmr n GLY 91 Ca -0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.59 2jmr n GLY 91 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2jmr n LEU 92 N -1.99 1.22 -4.81 0.99 4.77 -1.26 -0.30 117.00 115.62 2jmr n LEU 92 Ca -0.15 -4.82 -0.34 0.00 -0.03 0.00 0.00 56.01 50.68 2jmr n LEU 92 Cb 0.49 0.03 -0.04 0.00 -2.33 0.00 0.00 43.42 41.56 2jmr n LEU 92 CO 0.22 1.90 0.69 -0.83 -1.33 0.00 0.00 177.39 178.05 2jmr s GLY 93 N -0.98 2.43 0.31 -0.72 0.00 -0.81 -4.69 107.32 102.86 2jmr s GLY 93 Ca 0.32 0.51 -0.27 0.00 0.00 0.00 0.00 44.72 45.27 2jmr s GLY 93 CO -0.15 0.81 1.00 -0.42 0.00 0.00 0.00 173.10 174.35 2jmr s ILE 94 N -2.11 3.90 -0.27 0.90 -1.09 0.24 -1.48 121.20 121.29 2jmr s ILE 94 Ca 0.65 1.70 0.01 0.00 -2.23 0.00 0.00 60.65 60.78 2jmr s ILE 94 Cb -0.14 -4.00 0.08 0.00 -1.58 0.00 0.00 42.46 36.82 2jmr s ILE 94 CO 0.19 0.25 -0.00 -1.58 -1.23 0.00 0.00 174.94 172.56 2jmr s GLN 95 N -1.80 1.43 -0.64 2.79 0.74 -0.35 -1.61 119.66 120.22 2jmr s GLN 95 Ca 0.48 -1.19 0.06 0.00 0.05 0.00 0.00 55.36 54.76 2jmr s GLN 95 Cb -0.24 -2.61 0.23 0.00 1.10 0.00 0.00 33.01 31.49 2jmr s GLN 95 CO 0.31 -0.74 0.68 1.28 -0.55 0.00 0.00 175.29 176.26 2jmr n LEU 96 N 4.61 3.38 -4.87 3.68 7.99 -1.26 -1.22 117.00 129.31 2jmr n LEU 96 Ca -0.07 -5.35 -0.29 0.00 -0.01 0.00 0.00 56.01 50.30 2jmr n LEU 96 Cb 0.43 -0.61 0.10 0.00 -0.11 0.00 0.00 43.42 43.23 2jmr n LEU 96 CO 0.18 1.99 0.77 -1.48 -1.51 0.00 0.00 177.39 177.33 2jmr s LEU 97 N -2.16 2.44 1.04 2.23 -0.00 -1.18 -4.58 118.68 116.46 2jmr s LEU 97 Ca 0.36 0.86 -0.17 0.00 -0.00 0.00 0.00 54.13 55.18 2jmr s LEU 97 Cb 0.11 -3.35 0.24 0.00 -0.00 0.00 0.00 46.19 43.18 2jmr s LEU 97 CO -0.05 -2.00 1.30 0.54 -0.00 0.00 0.00 176.35 176.14 2jmr s ASN 98 N -4.43 2.44 0.31 1.48 6.03 -1.22 -3.14 114.94 116.42 2jmr s ASN 98 Ca 0.62 0.25 0.08 0.00 -1.03 0.00 0.00 52.86 52.78 2jmr s ASN 98 Cb -0.12 -0.25 0.85 0.00 -3.03 0.00 0.00 41.25 38.70 2jmr s ASN 98 CO 0.50 -3.15 1.73 -0.08 -2.03 0.00 0.00 177.10 174.07 2jmr h GLU 99 N -1.93 0.54 0.00 3.55 4.22 -1.90 0.82 114.58 119.87 2jmr h GLU 99 Ca -0.44 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 58.97 2jmr h GLU 99 Cb 1.23 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.36 2jmr h GLU 99 CO 0.32 0.36 0.00 1.04 -2.18 0.00 0.00 179.01 178.55 2jmr n GLN 100 N -4.91 0.45 -2.46 1.92 6.02 -1.26 -4.82 117.38 112.32 2jmr n GLN 100 Ca 0.26 0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 57.08 2jmr n GLN 100 Cb 0.72 -1.25 -0.01 0.00 1.02 0.00 0.00 30.24 30.72 2jmr n GLN 100 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2jmr n GLN 101 N -0.75 -2.09 -4.10 -1.09 6.02 0.28 -4.95 117.38 110.70 2jmr n GLN 101 Ca 0.05 0.81 -0.35 0.00 -0.01 0.00 0.00 57.00 57.50 2jmr n GLN 101 Cb 0.03 -5.45 -0.09 0.00 1.02 0.00 0.00 30.24 25.75 2jmr n GLN 101 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 2jmr s ASN 102 N -2.08 5.71 -0.46 1.08 3.04 -1.26 -4.93 114.94 116.04 2jmr s ASN 102 Ca 0.02 0.22 -0.28 0.00 0.04 0.00 0.00 52.86 52.86 2jmr s ASN 102 Cb -0.01 -1.83 -0.08 0.00 -1.54 0.00 0.00 41.25 37.79 2jmr s ASN 102 CO 0.02 0.31 2.38 1.67 -3.04 0.00 0.00 177.10 178.45 2jmr n GLN 103 N 2.60 1.15 -2.19 0.43 7.27 -1.26 -3.44 117.38 121.94 2jmr n GLN 103 Ca -0.18 0.14 -0.42 0.00 0.07 0.00 0.00 57.00 56.61 2jmr n GLN 103 Cb 0.53 -3.11 -0.03 0.00 2.41 0.00 0.00 30.24 30.04 2jmr n GLN 103 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 2jmr s ILE 104 N 10.58 3.77 -0.11 1.69 1.01 -1.26 -5.01 121.20 131.86 2jmr s ILE 104 Ca 1.04 1.05 -0.27 0.00 0.00 0.00 0.00 60.65 62.47 2jmr s ILE 104 Cb -0.39 -3.68 -0.02 0.00 0.01 0.00 0.00 42.46 38.39 2jmr s ILE 104 CO 0.33 -0.05 0.87 -2.16 0.00 0.00 0.00 174.94 173.93 2jmr s PRO 105 N 3.12 4.39 0.50 2.79 0.04 -1.26 -4.73 135.00 139.85 2jmr s PRO 105 Ca 0.65 1.13 -0.23 0.00 0.04 0.00 0.00 61.00 62.59 2jmr s PRO 105 Cb -0.30 -3.53 -0.07 0.00 0.04 0.00 0.00 34.50 30.64 2jmr s PRO 105 CO 0.25 -0.21 1.34 1.28 0.04 0.00 0.00 177.00 179.70 2jmr n LEU 106 N 4.70 4.98 0.00 -3.56 4.32 -0.97 -3.35 117.00 123.13 2jmr n LEU 106 Ca 0.05 1.03 0.00 0.00 -0.02 0.00 0.00 56.01 57.07 2jmr n LEU 106 Cb 0.50 -1.56 0.00 0.00 -1.62 0.00 0.00 43.42 40.74 2jmr n LEU 106 CO 0.49 -0.56 0.00 0.59 -1.22 0.00 0.00 177.39 176.69 2jmr n ASN 107 N -0.51 -4.69 -4.75 -1.43 3.02 -0.43 -4.97 115.26 101.51 2jmr n ASN 107 Ca 0.08 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.32 2jmr n ASN 107 Cb 0.43 -3.20 0.10 0.00 -0.61 0.00 0.00 39.78 36.49 2jmr n ASN 107 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jmr s ALA 108 N -0.96 2.14 0.85 5.41 0.00 -1.21 -5.04 121.76 122.94 2jmr s ALA 108 Ca 0.00 0.46 -0.11 0.00 0.00 0.00 0.00 51.96 52.31 2jmr s ALA 108 Cb 0.00 -3.34 0.10 0.00 0.00 0.00 0.00 23.12 19.88 2jmr s ALA 108 CO 0.00 -1.86 1.10 -2.14 0.00 0.00 0.00 175.76 172.86 2jmr s PRO 109 N -4.56 1.65 0.16 0.00 0.02 -1.26 -4.93 135.00 126.08 2jmr s PRO 109 Ca 0.65 0.73 0.08 0.00 0.02 0.00 0.00 61.00 62.49 2jmr s PRO 109 Cb -0.20 -1.86 0.46 0.00 0.02 0.00 0.00 34.50 32.92 2jmr s PRO 109 CO 0.52 -1.95 1.17 0.45 -0.33 0.00 0.00 177.00 176.86 2jmr n SER 110 N -3.67 0.22 0.02 2.53 2.88 -1.26 -2.80 113.62 111.55 2jmr n SER 110 Ca 0.07 0.52 -0.07 0.00 -1.33 0.00 0.00 58.87 58.05 2jmr n SER 110 Cb 0.56 -0.52 -0.12 0.00 -0.75 0.00 0.00 64.21 63.38 2jmr n SER 110 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2jmr h SER 111 N 0.00 0.00 1.52 -3.46 0.02 -1.97 -3.39 113.55 106.27 2jmr h SER 111 Ca 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2jmr h SER 111 Cb 0.29 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.83 2jmr h SER 111 CO 0.00 0.97 -0.04 0.00 -1.14 0.00 0.00 176.83 176.62 2jmr h ALA 112 N 1.03 0.99 -2.79 3.77 0.00 -1.90 -3.43 119.26 116.93 2jmr h ALA 112 Ca -0.15 -0.04 -0.64 0.00 0.00 0.00 0.00 54.91 54.09 2jmr h ALA 112 Cb 1.87 -0.01 -0.17 0.00 0.00 0.00 0.00 17.79 19.48 2jmr h ALA 112 CO 0.10 0.05 -0.80 -0.48 0.00 0.00 0.00 179.25 178.12 2jmr s LEU 113 N -6.25 2.50 0.00 0.00 -0.00 -1.26 -4.99 118.68 108.68 2jmr s LEU 113 Ca 0.04 -0.93 0.04 0.00 -0.00 0.00 0.00 54.13 53.28 2jmr s LEU 113 Cb 0.07 -1.15 -0.02 0.00 -0.00 0.00 0.00 46.19 45.10 2jmr s LEU 113 CO 0.62 0.09 0.15 -0.24 -0.00 0.00 0.00 176.35 176.97 2jmr n SER 114 N -0.10 -0.19 -3.60 1.48 2.88 -1.26 -4.92 113.62 107.91 2jmr n SER 114 Ca -0.09 -2.24 -0.16 0.00 -1.33 0.00 0.00 58.87 55.04 2jmr n SER 114 Cb 0.58 0.90 -0.08 0.00 -0.75 0.00 0.00 64.21 64.85 2jmr n SER 114 CO 0.00 0.00 0.00 0.86 -1.23 0.00 0.00 175.04 174.67 2jmr s TRP 115 N -2.72 1.46 0.69 0.66 -0.11 -1.26 -4.70 118.94 112.96 2jmr s TRP 115 Ca 0.21 -1.51 -0.04 0.00 1.22 0.00 0.00 56.10 55.98 2jmr s TRP 115 Cb 0.01 -0.57 0.08 0.00 -1.50 0.00 0.00 33.47 31.49 2jmr s TRP 115 CO 0.15 -0.84 0.98 -0.08 -4.62 0.00 0.00 176.95 172.54 2jmr s THR 116 N -3.62 2.32 -0.51 5.86 -1.32 -1.26 -4.99 115.64 112.12 2jmr s THR 116 Ca 0.38 -0.40 -0.26 0.00 -1.21 0.00 0.00 61.69 60.20 2jmr s THR 116 Cb 0.03 -2.91 -0.06 0.00 -1.51 0.00 0.00 72.50 68.05 2jmr s THR 116 CO 0.22 0.00 2.31 -0.89 -2.21 0.00 0.00 174.62 174.05 2jmr s THR 117 N -3.16 3.07 -0.38 5.08 2.01 -1.26 -4.56 115.64 116.43 2jmr s THR 117 Ca 0.62 0.04 -0.27 0.00 0.31 0.00 0.00 61.69 62.39 2jmr s THR 117 Cb -0.09 -3.18 -0.05 0.00 0.01 0.00 0.00 72.50 69.19 2jmr s THR 117 CO 0.44 -0.17 2.18 -0.22 -0.69 0.00 0.00 174.62 176.16 2jmr s LEU 118 N 11.60 3.42 -0.00 4.42 2.96 -0.35 -4.93 118.68 135.80 2jmr s LEU 118 Ca 0.92 1.33 -0.21 0.00 -0.22 0.00 0.00 54.13 55.95 2jmr s LEU 118 Cb -0.16 -3.03 -0.05 0.00 0.50 0.00 0.00 46.19 43.44 2jmr s LEU 118 CO 0.25 -2.31 0.60 -0.89 -1.32 0.00 0.00 176.35 172.68 2jmr s THR 119 N 9.62 4.90 0.61 3.68 2.01 -1.26 -3.72 115.64 131.48 2jmr s THR 119 Ca 0.92 1.27 -0.17 0.00 0.31 0.00 0.00 61.69 64.02 2jmr s THR 119 Cb -0.23 -3.94 -0.03 0.00 0.01 0.00 0.00 72.50 68.31 2jmr s THR 119 CO 0.30 0.41 1.13 -2.16 -0.69 0.00 0.00 174.62 173.61 2jmr s PRO 120 N -0.18 3.02 -0.77 4.92 0.04 -1.26 -3.87 135.00 136.90 2jmr s PRO 120 Ca 0.31 1.53 -0.08 0.00 0.04 0.00 0.00 61.00 62.80 2jmr s PRO 120 Cb -0.18 -1.97 0.01 0.00 0.04 0.00 0.00 34.50 32.40 2jmr s PRO 120 CO 0.17 -1.10 0.15 0.41 0.04 0.00 0.00 177.00 176.68 2jmr n GLY 121 N -0.12 -0.23 3.27 0.56 0.00 -0.59 -4.94 105.19 103.14 2jmr n GLY 121 Ca 0.11 0.13 -0.11 0.00 0.00 0.00 0.00 46.02 46.16 2jmr n GLY 121 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jmr s LYS 122 N -5.81 1.21 0.00 1.61 1.02 -1.25 -4.97 119.74 111.56 2jmr s LYS 122 Ca 0.11 -1.49 0.22 0.00 0.02 0.00 0.00 55.97 54.83 2jmr s LYS 122 Cb -0.06 0.31 1.29 0.00 -0.52 0.00 0.00 37.83 38.84 2jmr s LYS 122 CO 0.54 -0.42 1.81 -0.35 -0.92 0.00 0.00 175.35 176.01 2jmr n PRO 123 N -0.26 0.97 -4.00 -1.68 -0.04 -1.26 -4.71 135.00 124.03 2jmr n PRO 123 Ca -0.01 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.13 2jmr n PRO 123 Cb 0.65 -1.35 -0.07 0.00 -0.04 0.00 0.00 33.50 32.69 2jmr n PRO 123 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2jmr n ASN 124 N -0.85 -0.87 -4.62 3.54 5.03 -1.25 -1.37 115.26 114.86 2jmr n ASN 124 Ca 0.16 -1.03 -0.43 0.00 0.87 0.00 0.00 54.58 54.15 2jmr n ASN 124 Cb 0.07 -1.31 -0.03 0.00 -1.02 0.00 0.00 39.78 37.50 2jmr n ASN 124 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 2jmr s THR 125 N -3.20 3.16 0.77 3.41 2.01 -1.26 -4.51 115.64 116.03 2jmr s THR 125 Ca 0.50 0.18 -0.12 0.00 0.31 0.00 0.00 61.69 62.56 2jmr s THR 125 Cb -0.29 -3.17 0.05 0.00 0.01 0.00 0.00 72.50 69.10 2jmr s THR 125 CO 0.84 -0.08 1.15 -0.76 -0.69 0.00 0.00 174.62 175.08 2jmr s LEU 126 N 6.45 2.66 -0.48 4.42 2.01 -1.26 -5.02 118.68 127.46 2jmr s LEU 126 Ca 0.90 0.92 0.03 0.00 0.01 0.00 0.00 54.13 55.99 2jmr s LEU 126 Cb -0.34 -3.53 0.49 0.00 0.01 0.00 0.00 46.19 42.82 2jmr s LEU 126 CO 0.36 -1.69 1.69 0.59 1.01 0.00 0.00 176.35 178.31 2jmr n ASN 127 N -3.20 5.62 -4.40 2.29 3.02 -1.26 -4.73 115.26 112.61 2jmr n ASN 127 Ca 0.08 -3.76 -0.28 0.00 -0.03 0.00 0.00 54.58 50.59 2jmr n ASN 127 Cb 0.59 -0.73 0.15 0.00 -0.61 0.00 0.00 39.78 39.19 2jmr n ASN 127 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2jmr s PHE 128 N -3.61 1.78 0.16 3.10 0.40 -1.23 -3.97 117.98 114.60 2jmr s PHE 128 Ca 0.57 0.17 -0.04 0.00 -0.60 0.00 0.00 56.93 57.03 2jmr s PHE 128 Cb 0.46 -3.67 -0.03 0.00 0.51 0.00 0.00 43.02 40.29 2jmr s PHE 128 CO 0.02 -2.22 0.15 0.71 0.70 0.00 0.00 175.22 174.58 2jmr s TYR 129 N -3.60 0.76 0.00 0.36 2.02 -1.19 -2.62 117.35 113.09 2jmr s TYR 129 Ca 0.70 -1.10 -0.01 0.00 -0.37 0.00 0.00 57.07 56.29 2jmr s TYR 129 Cb -0.05 -0.34 -0.01 0.00 -0.40 0.00 0.00 41.96 41.16 2jmr s TYR 129 CO 0.49 -0.62 0.01 0.00 -1.57 0.00 0.00 175.55 173.87 2jmr s ALA 130 N -4.04 -0.02 0.00 3.71 0.00 0.40 -3.09 121.76 118.72 2jmr s ALA 130 Ca 0.24 -0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.01 2jmr s ALA 130 Cb 0.06 0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.22 2jmr s ALA 130 CO 0.03 -0.08 0.00 -2.13 0.00 0.00 0.00 175.76 173.58 2jmr n ARG 131 N 2.39 0.00 -3.75 0.00 3.00 -0.36 -1.38 116.66 116.57 2jmr n ARG 131 Ca -0.17 0.00 -0.24 0.00 -0.00 0.00 0.00 57.85 57.43 2jmr n ARG 131 Cb 0.58 0.00 -0.17 0.00 0.00 0.00 0.00 32.46 32.86 2jmr n ARG 131 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 2jmr s LEU 132 N 0.00 0.70 -0.23 6.15 0.20 -1.26 -1.21 118.68 123.03 2jmr s LEU 132 Ca 0.00 -0.30 -0.06 0.00 0.69 0.00 0.00 54.13 54.46 2jmr s LEU 132 Cb 0.00 -0.45 -0.02 0.00 -0.43 0.00 0.00 46.19 45.28 2jmr s LEU 132 CO 0.00 -0.24 0.04 -0.32 -0.29 0.00 0.00 176.35 175.54 2jmr s MET 133 N 1.96 3.61 -0.01 1.98 -2.45 -0.55 -3.89 119.30 119.95 2jmr s MET 133 Ca 0.03 -0.51 -0.30 0.00 -1.25 0.00 0.00 55.69 53.66 2jmr s MET 133 Cb -0.14 -3.21 -0.05 0.00 1.25 0.00 0.00 34.83 32.68 2jmr s MET 133 CO -0.06 -0.13 1.38 0.00 1.05 0.00 0.00 175.02 177.26 2jmr s ALA 134 N 1.42 3.57 -0.09 4.11 0.00 -1.26 -1.92 121.76 127.59 2jmr s ALA 134 Ca 0.05 0.85 0.21 0.00 0.00 0.00 0.00 51.96 53.07 2jmr s ALA 134 Cb -0.15 -3.59 -0.26 0.00 0.00 0.00 0.00 23.12 19.12 2jmr s ALA 134 CO 0.02 -0.91 0.55 0.25 0.00 0.00 0.00 175.76 175.67 2jmr n THR 135 N 4.69 0.34 -4.13 0.00 -2.24 0.59 -4.35 114.28 109.18 2jmr n THR 135 Ca 0.13 -0.56 -0.15 0.00 -2.27 0.00 0.00 64.05 61.19 2jmr n THR 135 Cb 0.44 -0.16 -0.05 0.00 -2.10 0.00 0.00 70.33 68.46 2jmr n THR 135 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jmr n GLN 136 N -2.43 0.50 -2.57 -0.78 1.13 -0.79 -4.81 117.38 107.64 2jmr n GLN 136 Ca -0.07 -2.74 -0.28 0.00 -1.94 0.00 0.00 57.00 51.97 2jmr n GLN 136 Cb 0.65 2.43 -0.01 0.00 0.11 0.00 0.00 30.24 33.43 2jmr n GLN 136 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 2jmr n VAL 137 N -0.54 2.75 1.01 5.09 0.31 -1.26 -4.63 118.33 121.06 2jmr n VAL 137 Ca 0.04 -5.10 0.13 0.00 -0.01 0.00 0.00 64.34 59.40 2jmr n VAL 137 Cb 0.53 -1.31 0.49 0.00 -0.91 0.00 0.00 33.84 32.64 2jmr n VAL 137 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2jmr n PRO 138 N -0.41 0.01 -3.79 5.55 -0.04 -1.26 -4.93 135.00 130.13 2jmr n PRO 138 Ca 0.38 -0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.60 2jmr n PRO 138 Cb 0.55 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.46 2jmr n PRO 138 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2jmr n VAL 139 N -1.49 -0.93 -3.34 0.52 0.24 -1.26 -4.87 118.33 107.20 2jmr n VAL 139 Ca 0.07 -0.35 -0.40 0.00 -2.04 0.00 0.00 64.34 61.61 2jmr n VAL 139 Cb 0.34 -0.87 -0.09 0.00 -1.47 0.00 0.00 33.84 31.75 2jmr n VAL 139 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2jmr s THR 140 N -3.95 5.11 -0.62 3.34 2.01 -1.26 -4.90 115.64 115.36 2jmr s THR 140 Ca 0.08 0.35 -0.26 0.00 0.31 0.00 0.00 61.69 62.17 2jmr s THR 140 Cb -0.04 -3.83 -0.03 0.00 0.01 0.00 0.00 72.50 68.60 2jmr s THR 140 CO 0.67 -0.05 1.98 0.00 -0.69 0.00 0.00 174.62 176.53 2jmr s ALA 141 N 2.17 2.00 -0.17 7.40 0.00 -1.26 -4.52 121.76 127.38 2jmr s ALA 141 Ca 0.16 -0.62 -0.09 0.00 0.00 0.00 0.00 51.96 51.41 2jmr s ALA 141 Cb -0.16 -4.34 0.07 0.00 0.00 0.00 0.00 23.12 18.68 2jmr s ALA 141 CO 0.12 -4.13 0.41 0.20 0.00 0.00 0.00 175.76 172.35 2jmr s GLY 142 N 8.87 -0.33 0.27 0.00 0.00 -1.26 -4.84 107.32 110.02 2jmr s GLY 142 Ca 0.73 1.51 -0.28 0.00 0.00 0.00 0.00 44.72 46.68 2jmr s GLY 142 CO 0.19 1.84 0.81 -2.39 0.00 0.00 0.00 173.10 173.55 2jmr n HIS 143 N 4.52 0.55 -2.67 1.90 1.44 -0.89 -1.28 115.22 118.80 2jmr n HIS 143 Ca -0.20 0.79 -0.43 0.00 -2.01 0.00 0.00 57.72 55.87 2jmr n HIS 143 Cb 0.54 -2.13 -0.02 0.00 0.12 0.00 0.00 29.99 28.49 2jmr n HIS 143 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 2jmr s ILE 144 N -1.07 4.69 -0.03 0.61 1.01 0.08 -3.09 121.20 123.41 2jmr s ILE 144 Ca 0.61 2.02 0.14 0.00 0.00 0.00 0.00 60.65 63.42 2jmr s ILE 144 Cb -0.77 -4.31 0.25 0.00 0.01 0.00 0.00 42.46 37.64 2jmr s ILE 144 CO 0.59 -0.16 1.11 -3.20 0.00 0.00 0.00 174.94 173.27 2jmr n ASN 145 N 6.21 0.79 -4.70 3.58 2.85 -1.26 -3.75 115.26 118.98 2jmr n ASN 145 Ca 0.12 -2.27 -0.30 0.00 -0.11 0.00 0.00 54.58 52.01 2jmr n ASN 145 Cb 0.46 -0.29 0.14 0.00 1.24 0.00 0.00 39.78 41.33 2jmr n ASN 145 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2jmr s ALA 146 N -0.55 1.48 -0.14 5.20 0.00 -1.26 -4.39 121.76 122.10 2jmr s ALA 146 Ca 0.21 0.08 -0.12 0.00 0.00 0.00 0.00 51.96 52.13 2jmr s ALA 146 Cb 0.23 -3.25 0.04 0.00 0.00 0.00 0.00 23.12 20.14 2jmr s ALA 146 CO -0.08 -2.44 0.36 -0.08 0.00 0.00 0.00 175.76 173.52 2jmr s THR 147 N -2.85 -0.01 0.28 0.00 -1.32 -1.26 -3.79 115.64 106.70 2jmr s THR 147 Ca 0.64 0.02 -0.12 0.00 -1.21 0.00 0.00 61.69 61.02 2jmr s THR 147 Cb -0.19 -0.52 0.05 0.00 -1.51 0.00 0.00 72.50 70.33 2jmr s THR 147 CO 0.58 0.01 0.62 0.00 -2.21 0.00 0.00 174.62 173.61 2jmr n ALA 148 N 3.16 -1.42 -2.74 11.08 0.00 -1.14 -4.69 120.51 124.76 2jmr n ALA 148 Ca -0.15 -0.94 -0.17 0.00 0.00 0.00 0.00 53.44 52.18 2jmr n ALA 148 Cb 0.57 0.73 -0.14 0.00 0.00 0.00 0.00 19.45 20.61 2jmr n ALA 148 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2jmr s THR 149 N -2.30 0.59 -0.24 0.00 -4.23 -0.59 -0.55 115.64 108.32 2jmr s THR 149 Ca 0.13 -0.48 -0.01 0.00 -1.18 0.00 0.00 61.69 60.14 2jmr s THR 149 Cb -0.04 -0.53 0.07 0.00 1.34 0.00 0.00 72.50 73.34 2jmr s THR 149 CO 0.09 0.06 0.03 0.72 -0.54 0.00 0.00 174.62 174.97 2jmr s PHE 150 N -0.42 1.68 -0.37 3.99 -0.71 -1.24 -0.79 117.98 120.12 2jmr s PHE 150 Ca 0.01 -1.41 0.01 0.00 -1.04 0.00 0.00 56.93 54.49 2jmr s PHE 150 Cb -0.04 -1.42 0.10 0.00 -1.21 0.00 0.00 43.02 40.44 2jmr s PHE 150 CO -0.00 -0.74 0.11 0.95 -1.34 0.00 0.00 175.22 174.20 2jmr s THR 151 N 1.63 2.77 -0.17 -4.49 -4.23 -0.21 -4.80 115.64 106.14 2jmr s THR 151 Ca 0.01 -2.14 -0.29 0.00 -1.18 0.00 0.00 61.69 58.09 2jmr s THR 151 Cb -0.18 -2.94 -0.00 0.00 1.34 0.00 0.00 72.50 70.73 2jmr s THR 151 CO -0.12 -0.60 1.05 -0.76 -0.54 0.00 0.00 174.62 173.65 2jmr s LEU 152 N 1.04 4.17 0.60 4.79 2.01 -1.26 -2.77 118.68 127.25 2jmr s LEU 152 Ca 0.08 1.47 -0.00 0.00 0.01 0.00 0.00 54.13 55.69 2jmr s LEU 152 Cb -0.21 -3.55 0.05 0.00 0.01 0.00 0.00 46.19 42.50 2jmr s LEU 152 CO -0.06 -0.59 0.85 -1.61 1.01 0.00 0.00 176.35 175.95 2jmr s GLU 153 N 2.73 2.35 0.38 1.70 0.41 -0.01 -4.73 118.70 121.55 2jmr s GLU 153 Ca 0.47 -0.73 0.04 0.00 -0.41 0.00 0.00 54.97 54.33 2jmr s GLU 153 Cb -0.17 -2.41 -0.03 0.00 -1.78 0.00 0.00 34.13 29.74 2jmr s GLU 153 CO 0.12 -0.92 0.14 0.71 -0.49 0.00 0.00 175.26 174.82 2jmr s TYR 154 N -2.91 1.77 -0.59 1.61 2.02 -1.26 -0.78 117.35 117.22 2jmr s TYR 154 Ca 0.59 -1.29 -0.05 0.00 -0.37 0.00 0.00 57.07 55.95 2jmr s TYR 154 Cb -0.10 -1.11 -0.04 0.00 -0.40 0.00 0.00 41.96 40.32 2jmr s TYR 154 CO 0.40 -0.33 2.97 0.94 -1.57 0.00 0.00 175.55 177.96 2jmr n GLN 155 N -0.83 2.79 -2.07 -0.62 7.27 -1.25 -4.77 117.38 117.90 2jmr n GLN 155 Ca -0.04 -2.14 -0.42 0.00 0.07 0.00 0.00 57.00 54.47 2jmr n GLN 155 Cb 0.65 -2.25 -0.03 0.00 2.41 0.00 0.00 30.24 31.02 2jmr n GLN 155 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 2jmr s ASP 156 N 1.00 6.72 0.15 1.69 2.15 -1.26 -4.96 116.67 122.15 2jmr s ASP 156 Ca 0.61 2.53 -0.18 0.00 0.43 0.00 0.00 52.55 55.95 2jmr s ASP 156 Cb 0.31 -2.61 0.04 0.00 -0.30 0.00 0.00 42.92 40.37 2jmr s ASP 156 CO -0.12 -0.68 1.70 0.78 -0.17 0.00 0.00 175.17 176.68 2jmr h ASN 157 N 5.84 -0.16 0.50 -0.34 2.35 -1.99 -1.82 115.58 119.96 2jmr h ASN 157 Ca -0.44 0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.38 2jmr h ASN 157 Cb 1.21 0.14 0.00 0.00 0.05 0.00 0.00 38.32 39.72 2jmr h ASN 157 CO 0.82 -0.04 0.00 1.41 -1.65 0.00 0.00 177.43 177.97 2jmr n HIS 158 N -5.19 0.74 -2.18 1.19 8.25 -1.26 -4.88 115.22 111.89 2jmr n HIS 158 Ca 0.00 0.32 -0.06 0.00 -0.26 0.00 0.00 57.72 57.72 2jmr n HIS 158 Cb 0.16 -1.01 -0.01 0.00 1.12 0.00 0.00 29.99 30.26 2jmr n HIS 158 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2jmr n HIS 159 N -2.20 -1.50 -4.20 4.41 1.44 -0.69 -4.92 115.22 107.56 2jmr n HIS 159 Ca 0.01 0.00 -0.24 0.00 -2.01 0.00 0.00 57.72 55.48 2jmr n HIS 159 Cb 0.17 -1.78 -0.17 0.00 0.12 0.00 0.00 29.99 28.33 2jmr n HIS 159 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2jmr s HIS 160 N -2.10 1.28 0.52 -1.40 3.76 -1.26 -5.10 115.29 110.98 2jmr s HIS 160 Ca 0.00 -0.52 0.02 0.00 -0.15 0.00 0.00 55.06 54.41 2jmr s HIS 160 Cb 0.00 -1.03 0.03 0.00 1.11 0.00 0.00 32.58 32.68 2jmr s HIS 160 CO 0.00 -0.35 0.73 -3.38 -0.85 0.00 0.00 174.74 170.89 2jmr s HIS 161 N 1.19 2.87 0.04 1.40 -3.43 -1.26 -5.06 115.29 111.03 2jmr s HIS 161 Ca -0.05 -0.07 0.00 0.00 -0.80 0.00 0.00 55.06 54.13 2jmr s HIS 161 Cb -0.14 -2.66 0.00 0.00 -1.43 0.00 0.00 32.58 28.35 2jmr s HIS 161 CO -0.02 -0.76 0.00 -2.39 -2.00 0.00 0.00 174.74 169.57 2jmr n HIS 162 N -2.24 -0.16 -1.92 0.38 1.44 -1.26 -5.06 115.22 106.41 2jmr n HIS 162 Ca 0.08 0.03 -0.26 0.00 -2.01 0.00 0.00 57.72 55.56 2jmr n HIS 162 Cb 0.59 0.14 0.18 0.00 0.12 0.00 0.00 29.99 31.02 2jmr n HIS 162 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2jmr n HIS 163 N -3.02 -3.88 -2.28 -1.40 -0.00 -1.26 -5.11 115.22 98.27 2jmr n HIS 163 Ca 0.00 -1.12 -0.26 0.00 -0.00 0.00 0.00 57.72 56.34 2jmr n HIS 163 Cb 0.28 -0.90 0.12 0.00 -0.00 0.00 0.00 29.99 29.50 2jmr n HIS 163 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 176.34 174.75 2jmr s LYS 164 N -5.53 1.54 0.00 1.57 0.00 -1.26 -5.06 119.74 111.00 2jmr s LYS 164 Ca 0.67 -0.65 0.00 0.00 0.00 0.00 0.00 55.97 55.99 2jmr s LYS 164 Cb -0.02 -2.15 0.00 0.00 0.00 0.00 0.00 37.83 35.66 2jmr s LYS 164 CO 0.47 -1.65 0.95 0.94 0.00 0.00 0.00 175.35 176.06 2jmr n GLN 165 N -3.12 0.00 -0.55 1.78 7.27 -1.26 -5.02 117.38 116.47 2jmr n GLN 165 Ca 0.13 0.50 0.00 0.00 0.07 0.00 0.00 57.00 57.70 2jmr n GLN 165 Cb 0.60 -1.45 0.00 0.00 2.41 0.00 0.00 30.24 31.80 2jmr n GLN 165 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2jmr n ALA 166 N -1.96 0.00 -0.82 1.69 0.00 -1.26 -5.08 120.51 113.08 2jmr n ALA 166 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 2jmr n ALA 166 Cb 0.00 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.55 2jmr n ALA 166 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2jmr n ASP 167 N -0.54 2.22 -4.51 0.00 8.00 -1.26 -4.89 116.55 115.57 2jmr n ASP 167 Ca 0.00 -2.80 -0.40 0.00 0.71 0.00 0.00 54.79 52.30 2jmr n ASP 167 Cb 0.00 -0.32 -0.11 0.00 -0.02 0.00 0.00 41.12 40.67 2jmr n ASP 167 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2jmr n SER 168 N -1.18 0.93 -4.66 -2.24 7.64 -1.26 -4.88 113.62 107.96 2jmr n SER 168 Ca 0.12 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.58 2jmr n SER 168 Cb 0.54 -1.12 -0.03 0.00 -1.01 0.00 0.00 64.21 62.60 2jmr n SER 168 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2jmr s THR 169 N 9.80 3.84 0.28 0.44 2.01 -1.26 -3.73 115.64 127.01 2jmr s THR 169 Ca 1.24 1.02 -0.28 0.00 0.31 0.00 0.00 61.69 63.98 2jmr s THR 169 Cb -0.95 -3.66 -0.09 0.00 0.01 0.00 0.00 72.50 67.81 2jmr s THR 169 CO 0.43 -0.09 0.95 -0.51 -0.69 0.00 0.00 174.62 174.71 2jmr s ILE 170 N 3.78 4.11 -0.37 1.82 -1.16 0.28 -2.84 121.20 126.83 2jmr s ILE 170 Ca 0.66 1.96 0.04 0.00 -0.51 0.00 0.00 60.65 62.80 2jmr s ILE 170 Cb -0.29 -4.18 0.16 0.00 0.61 0.00 0.00 42.46 38.76 2jmr s ILE 170 CO 0.24 0.34 0.42 -0.89 -2.81 0.00 0.00 174.94 172.24 2jmr s THR 171 N -1.37 -0.47 -0.21 4.00 2.01 -1.26 -2.90 115.64 115.44 2jmr s THR 171 Ca 0.45 -0.75 -0.11 0.00 0.31 0.00 0.00 61.69 61.59 2jmr s THR 171 Cb -0.23 -0.60 -0.05 0.00 0.01 0.00 0.00 72.50 71.63 2jmr s THR 171 CO 0.29 -0.45 0.19 -0.63 -0.69 0.00 0.00 174.62 173.32 2jmr s ILE 172 N 1.63 5.36 0.84 1.82 1.01 -1.25 -1.56 121.20 129.04 2jmr s ILE 172 Ca 0.16 0.29 -0.14 0.00 0.00 0.00 0.00 60.65 60.96 2jmr s ILE 172 Cb -0.13 -3.53 0.19 0.00 0.01 0.00 0.00 42.46 39.00 2jmr s ILE 172 CO -0.07 0.38 1.12 0.54 0.00 0.00 0.00 174.94 176.91 2jmr n ARG 173 N 3.90 -1.15 0.00 2.79 5.12 0.54 -4.06 116.66 123.80 2jmr n ARG 173 Ca -0.14 -1.74 0.00 0.00 -1.93 0.00 0.00 57.85 54.04 2jmr n ARG 173 Cb 0.52 -1.17 0.00 0.00 -1.16 0.00 0.00 32.46 30.65 2jmr n ARG 173 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2jmr n GLY 174 N -2.41 3.76 2.96 -0.13 0.00 -1.25 -4.66 105.19 103.47 2jmr n GLY 174 Ca 0.14 -1.12 -0.14 0.00 0.00 0.00 0.00 46.02 44.90 2jmr n GLY 174 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2jmr s TYR 175 N -2.00 -0.40 -0.30 1.61 6.14 -1.26 -0.74 117.35 120.40 2jmr s TYR 175 Ca 0.00 0.86 -0.29 0.00 0.64 0.00 0.00 57.07 58.28 2jmr s TYR 175 Cb 0.00 -0.09 0.01 0.00 0.42 0.00 0.00 41.96 42.31 2jmr s TYR 175 CO 0.00 -0.39 1.09 0.14 0.64 0.00 0.00 175.55 177.03 2jmr s VAL 176 N 2.41 4.51 0.20 3.14 -7.23 -1.26 -0.61 120.40 121.55 2jmr s VAL 176 Ca 0.02 1.75 -0.30 0.00 -1.81 0.00 0.00 61.98 61.65 2jmr s VAL 176 Cb -0.13 -4.38 -0.08 0.00 0.56 0.00 0.00 36.38 32.36 2jmr s VAL 176 CO -0.09 -0.43 0.99 -0.13 -0.31 0.00 0.00 175.10 175.13 2jmr s ARG 177 N 3.61 4.74 0.60 4.82 1.81 0.12 -4.40 118.95 130.26 2jmr s ARG 177 Ca 0.46 1.56 0.39 0.00 -1.72 0.00 0.00 55.73 56.42 2jmr s ARG 177 Cb -0.13 -3.30 1.86 0.00 -0.45 0.00 0.00 34.95 32.93 2jmr s ARG 177 CO 0.14 0.32 2.16 0.38 -0.68 0.00 0.00 175.30 177.62 2jmr h ASP 178 N 4.67 0.00 0.00 0.23 3.04 -1.95 0.26 116.42 122.68 2jmr h ASP 178 Ca -0.44 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.35 2jmr h ASP 178 Cb 1.21 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.50 2jmr h ASP 178 CO 0.70 0.00 0.00 -0.46 -2.04 0.00 0.00 179.24 177.44