#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sr3 s ARG 31 N 0.00 3.04 0.31 1.96 3.00 -1.26 -5.07 118.95 120.93 1sr3 s ARG 31 Ca 0.00 1.37 -0.10 0.00 0.00 0.00 0.00 55.73 57.00 1sr3 s ARG 31 Cb 0.00 -1.98 0.04 0.00 0.00 0.00 0.00 34.95 33.01 1sr3 s ARG 31 CO 0.00 -1.06 0.60 -1.13 0.00 0.00 0.00 175.30 173.71 1sr3 n SER 32 N -2.12 -1.75 -4.10 0.23 3.41 -1.26 -5.19 113.62 102.85 1sr3 n SER 32 Ca 0.10 -2.32 -0.17 0.00 -0.26 0.00 0.00 58.87 56.22 1sr3 n SER 32 Cb 0.52 2.94 -0.10 0.00 -0.26 0.00 0.00 64.21 67.31 1sr3 n SER 32 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1sr3 s ASN 33 N -2.68 1.29 0.44 4.04 -0.87 -1.26 -5.15 114.94 110.75 1sr3 s ASN 33 Ca 0.14 -1.49 -0.19 0.00 -1.57 0.00 0.00 52.86 49.75 1sr3 s ASN 33 Cb -0.04 0.32 -0.10 0.00 -0.02 0.00 0.00 41.25 41.42 1sr3 s ASN 33 CO 0.11 -0.84 0.94 -0.63 -2.57 0.00 0.00 177.10 174.10 1sr3 s ILE 34 N -3.71 4.45 0.12 0.60 1.01 -1.26 -4.84 121.20 117.58 1sr3 s ILE 34 Ca 0.37 1.37 0.00 0.00 0.00 0.00 0.00 60.65 62.39 1sr3 s ILE 34 Cb 0.06 -3.63 0.00 0.00 0.01 0.00 0.00 42.46 38.90 1sr3 s ILE 34 CO 0.16 -0.39 0.00 0.47 0.00 0.00 0.00 174.94 175.18 1sr3 n ASP 35 N -0.83 -9.35 -4.71 3.58 8.00 -1.26 -4.97 116.55 107.01 1sr3 n ASP 35 Ca 0.07 1.64 -0.38 0.00 0.71 0.00 0.00 54.79 56.82 1sr3 n ASP 35 Cb 0.54 -5.19 0.05 0.00 -0.02 0.00 0.00 41.12 36.50 1sr3 n ASP 35 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1sr3 n LEU 36 N 1.89 5.16 -3.74 0.64 4.77 -1.26 -4.91 117.00 119.55 1sr3 n LEU 36 Ca 0.00 0.94 -0.13 0.00 -0.03 0.00 0.00 56.01 56.79 1sr3 n LEU 36 Cb 0.00 -1.53 -0.10 0.00 -2.33 0.00 0.00 43.42 39.45 1sr3 n LEU 36 CO 0.00 -0.88 0.05 0.12 -1.33 0.00 0.00 177.39 175.35 1sr3 s PHE 37 N -1.33 -0.42 0.16 -1.77 2.19 -1.26 -2.31 117.98 113.23 1sr3 s PHE 37 Ca 0.73 1.03 0.03 0.00 0.33 0.00 0.00 56.93 59.05 1sr3 s PHE 37 Cb -0.42 0.15 -0.01 0.00 -1.31 0.00 0.00 43.02 41.42 1sr3 s PHE 37 CO 0.48 -0.21 0.15 0.66 1.83 0.00 0.00 175.22 178.13 1sr3 n TYR 38 N 2.95 -0.43 -4.21 10.12 4.02 -0.43 -4.98 117.16 124.19 1sr3 n TYR 38 Ca -0.14 -1.35 -0.15 0.00 -0.01 0.00 0.00 57.90 56.25 1sr3 n TYR 38 Cb 0.57 0.15 -0.09 0.00 -0.02 0.00 0.00 39.34 39.96 1sr3 n TYR 38 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 1sr3 s THR 39 N -2.66 0.00 -1.77 -0.72 -4.23 -1.26 -2.33 115.64 102.67 1sr3 s THR 39 Ca 0.19 -1.94 0.00 0.00 -1.18 0.00 0.00 61.69 58.76 1sr3 s THR 39 Cb 0.01 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.35 1sr3 s THR 39 CO 0.13 0.00 0.40 -0.81 -0.54 0.00 0.00 174.62 173.81 1sr3 n PRO 40 N -0.44 0.00 -0.08 3.99 -0.04 -1.26 -2.25 135.00 134.92 1sr3 n PRO 40 Ca 0.04 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.38 1sr3 n PRO 40 Cb 0.64 -1.46 -0.07 0.00 -0.04 0.00 0.00 33.50 32.57 1sr3 n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1sr3 n GLY 41 N -0.90 -0.22 0.02 0.55 0.00 -1.26 -2.92 105.19 100.46 1sr3 n GLY 41 Ca 0.00 -0.10 0.15 0.00 0.00 0.00 0.00 46.02 46.08 1sr3 n GLY 41 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1sr3 n GLU 42 N -3.10 0.76 0.15 1.61 0.28 -0.95 -0.30 120.64 119.08 1sr3 n GLU 42 Ca -0.28 -0.03 0.12 0.00 -0.16 0.00 0.00 57.16 56.81 1sr3 n GLU 42 Cb 0.78 -1.50 0.18 0.00 1.43 0.00 0.00 31.44 32.33 1sr3 n GLU 42 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 1sr3 h ILE 43 N 0.08 0.00 0.00 3.84 2.04 -1.83 -2.10 117.51 119.53 1sr3 h ILE 43 Ca 0.00 -0.81 -0.44 0.00 1.00 0.00 0.00 64.86 64.60 1sr3 h ILE 43 Cb 0.15 1.63 -0.07 0.00 -0.74 0.00 0.00 36.82 37.79 1sr3 h ILE 43 CO 0.00 0.00 -2.50 0.18 0.00 0.00 0.00 178.15 175.83 1sr3 n LEU 44 N -2.68 2.19 0.05 1.44 4.77 0.31 -4.68 117.00 118.40 1sr3 n LEU 44 Ca 0.03 0.23 -0.01 0.00 -0.03 0.00 0.00 56.01 56.24 1sr3 n LEU 44 Cb 0.50 -0.85 -0.07 0.00 -2.33 0.00 0.00 43.42 40.67 1sr3 n LEU 44 CO 0.35 0.65 -0.14 1.88 -1.33 0.00 0.00 177.39 178.80 1sr3 h TYR 45 N -0.77 0.00 0.00 -1.77 -1.99 -0.84 -3.51 116.97 108.10 1sr3 h TYR 45 Ca -0.67 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.06 1sr3 h TYR 45 Cb 1.68 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.41 1sr3 h TYR 45 CO -0.06 0.64 0.00 0.41 -0.00 0.00 0.00 178.16 179.15 1sr3 n GLY 46 N 1.38 3.06 3.72 3.88 0.00 -0.82 -5.01 105.19 111.40 1sr3 n GLY 46 Ca -0.08 -1.67 -0.42 0.00 0.00 0.00 0.00 46.02 43.86 1sr3 n GLY 46 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1sr3 n LYS 47 N 0.18 2.32 0.00 1.61 4.81 -0.93 -4.52 118.16 121.63 1sr3 n LYS 47 Ca 0.00 0.81 0.00 0.00 -0.87 0.00 0.00 58.31 58.25 1sr3 n LYS 47 Cb 0.00 -2.45 0.00 0.00 0.02 0.00 0.00 35.03 32.60 1sr3 n LYS 47 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1sr3 n ARG 48 N 0.61 0.00 0.00 1.64 1.74 -1.26 -1.92 116.66 117.47 1sr3 n ARG 48 Ca 0.04 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 1sr3 n ARG 48 Cb 0.37 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.81 1sr3 n ARG 48 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1sr3 n GLU 49 N -2.39 0.00 -0.87 5.56 4.71 -1.26 -4.98 120.64 121.41 1sr3 n GLU 49 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 57.16 57.10 1sr3 n GLU 49 Cb 0.00 -0.16 -0.05 0.00 -1.01 0.00 0.00 31.44 30.22 1sr3 n GLU 49 CO 0.00 0.00 0.00 -2.37 0.09 0.00 0.00 177.13 174.85 1sr3 n THR 50 N -0.03 0.00 0.17 2.62 5.66 -0.81 -4.96 114.28 116.93 1sr3 n THR 50 Ca 0.00 -0.00 0.04 0.00 -3.05 0.00 0.00 64.05 61.04 1sr3 n THR 50 Cb 0.00 0.37 0.26 0.00 -1.55 0.00 0.00 70.33 69.41 1sr3 n THR 50 CO 0.00 0.00 0.00 0.06 -3.05 0.00 0.00 175.07 172.08 1sr3 h GLN 51 N 0.00 0.00 0.00 1.09 -0.00 -1.92 -3.47 115.11 110.81 1sr3 h GLN 51 Ca -0.42 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.23 1sr3 h GLN 51 Cb 1.30 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.78 1sr3 h GLN 51 CO -0.21 0.44 0.00 0.00 -0.00 0.00 0.00 178.83 179.05 1sr3 n GLN 52 N -3.51 -1.09 -3.80 0.06 -0.00 -1.26 -5.05 117.38 102.72 1sr3 n GLN 52 Ca -0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 57.00 56.66 1sr3 n GLN 52 Cb 0.56 0.00 -0.05 0.00 -0.00 0.00 0.00 30.24 30.75 1sr3 n GLN 52 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.06 175.42 1sr3 s MET 53 N -2.00 3.54 0.26 2.61 -1.94 -1.26 -2.20 119.30 118.30 1sr3 s MET 53 Ca 0.00 -0.15 -0.30 0.00 -1.71 0.00 0.00 55.69 53.53 1sr3 s MET 53 Cb 0.00 -3.08 -0.11 0.00 2.01 0.00 0.00 34.83 33.65 1sr3 s MET 53 CO 0.00 0.65 1.52 -1.25 -0.01 0.00 0.00 175.02 175.93 1sr3 s PRO 54 N -1.82 4.20 0.02 2.03 0.04 -1.26 -4.96 135.00 133.26 1sr3 s PRO 54 Ca 0.28 2.43 -0.30 0.00 0.04 0.00 0.00 61.00 63.44 1sr3 s PRO 54 Cb -0.13 -3.08 -0.04 0.00 0.04 0.00 0.00 34.50 31.30 1sr3 s PRO 54 CO 0.17 -0.53 1.00 -2.00 0.04 0.00 0.00 177.00 175.68 1sr3 s GLU 55 N -0.25 4.56 0.06 4.56 2.12 -1.26 -4.92 118.70 123.58 1sr3 s GLU 55 Ca 0.62 1.47 0.17 0.00 0.36 0.00 0.00 54.97 57.59 1sr3 s GLU 55 Cb -0.45 -3.43 0.71 0.00 0.26 0.00 0.00 34.13 31.23 1sr3 s GLU 55 CO 0.44 -0.04 1.53 1.55 -0.54 0.00 0.00 175.26 178.20 1sr3 n VAL 56 N 3.73 0.94 0.69 3.70 3.14 -1.26 -1.34 118.33 127.93 1sr3 n VAL 56 Ca 0.06 0.24 0.12 0.00 -2.96 0.00 0.00 64.34 61.79 1sr3 n VAL 56 Cb 0.50 -1.03 0.24 0.00 -1.06 0.00 0.00 33.84 32.50 1sr3 n VAL 56 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1sr3 n GLY 57 N 0.03 1.21 3.79 7.55 0.00 -1.26 -4.38 105.19 112.13 1sr3 n GLY 57 Ca 0.03 -0.65 -0.23 0.00 0.00 0.00 0.00 46.02 45.18 1sr3 n GLY 57 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1sr3 s GLN 58 N -1.68 2.44 0.10 1.61 -2.07 -0.45 -4.95 119.66 114.66 1sr3 s GLN 58 Ca 0.35 -1.56 -0.24 0.00 -1.82 0.00 0.00 55.36 52.09 1sr3 s GLN 58 Cb 0.21 -2.24 -0.07 0.00 -1.09 0.00 0.00 33.01 29.83 1sr3 s GLN 58 CO 0.30 -0.01 0.73 -0.98 -1.32 0.00 0.00 175.29 174.02 1sr3 s ARG 59 N -3.95 4.48 0.31 9.60 1.70 -1.26 -2.01 118.95 127.82 1sr3 s ARG 59 Ca 0.41 1.04 -0.17 0.00 -0.47 0.00 0.00 55.73 56.55 1sr3 s ARG 59 Cb -0.02 -3.30 0.03 0.00 -0.57 0.00 0.00 34.95 31.08 1sr3 s ARG 59 CO 0.25 0.45 0.69 -0.48 -1.08 0.00 0.00 175.30 175.13 1sr3 s LEU 60 N -0.65 -0.01 0.22 -1.89 -0.00 -1.04 -4.89 118.68 110.42 1sr3 s LEU 60 Ca 0.36 -0.89 0.10 0.00 -0.00 0.00 0.00 54.13 53.70 1sr3 s LEU 60 Cb -0.21 2.54 -0.05 0.00 -0.00 0.00 0.00 46.19 48.47 1sr3 s LEU 60 CO 0.23 -1.43 -0.20 0.00 -0.00 0.00 0.00 176.35 174.96 1sr3 s ARG 61 N -3.36 1.48 0.02 1.48 1.70 -0.98 -1.48 118.95 117.81 1sr3 s ARG 61 Ca 0.15 -1.59 0.04 0.00 -0.47 0.00 0.00 55.73 53.86 1sr3 s ARG 61 Cb -0.05 -1.57 -0.01 0.00 -0.57 0.00 0.00 34.95 32.75 1sr3 s ARG 61 CO 0.10 0.31 -0.11 0.08 -1.08 0.00 0.00 175.30 174.59 1sr3 s VAL 62 N -2.26 0.87 -0.09 4.99 1.01 0.03 -1.31 120.40 123.65 1sr3 s VAL 62 Ca 0.23 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.52 1sr3 s VAL 62 Cb -0.05 -0.78 0.01 0.00 0.00 0.00 0.00 36.38 35.56 1sr3 s VAL 62 CO 0.10 0.07 -0.13 -0.83 0.00 0.00 0.00 175.10 174.31 1sr3 s GLY 63 N -0.72 0.91 0.26 4.51 0.00 -0.98 -0.39 107.32 110.90 1sr3 s GLY 63 Ca 0.01 -0.56 -0.17 0.00 0.00 0.00 0.00 44.72 44.01 1sr3 s GLY 63 CO 0.00 0.20 0.83 0.61 0.00 0.00 0.00 173.10 174.74 1sr3 n GLY 64 N 4.04 0.86 3.59 0.20 0.00 -0.99 -4.20 105.19 108.69 1sr3 n GLY 64 Ca -0.20 -1.18 -0.34 0.00 0.00 0.00 0.00 46.02 44.30 1sr3 n GLY 64 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1sr3 s MET 65 N -2.06 3.89 0.10 1.61 1.75 -0.57 -0.76 119.30 123.25 1sr3 s MET 65 Ca 0.18 -0.39 -0.31 0.00 -1.25 0.00 0.00 55.69 53.91 1sr3 s MET 65 Cb -0.03 -3.13 -0.08 0.00 2.84 0.00 0.00 34.83 34.42 1sr3 s MET 65 CO 0.08 0.26 1.41 0.08 -0.65 0.00 0.00 175.02 176.19 1sr3 s VAL 66 N 0.39 3.34 0.54 10.11 1.01 -0.62 -0.48 120.40 134.68 1sr3 s VAL 66 Ca 0.01 0.92 -0.20 0.00 0.00 0.00 0.00 61.98 62.72 1sr3 s VAL 66 Cb -0.13 -3.59 -0.06 0.00 0.00 0.00 0.00 36.38 32.60 1sr3 s VAL 66 CO 0.01 0.06 1.15 -0.04 0.00 0.00 0.00 175.10 176.28 1sr3 s MET 67 N 1.38 3.35 0.24 2.72 -1.94 -0.52 -1.30 119.30 123.23 1sr3 s MET 67 Ca 0.65 1.68 -0.30 0.00 -1.71 0.00 0.00 55.69 56.01 1sr3 s MET 67 Cb -0.36 -2.05 -0.09 0.00 2.01 0.00 0.00 34.83 34.34 1sr3 s MET 67 CO 0.30 -0.87 1.12 -1.25 -0.01 0.00 0.00 175.02 174.31 1sr3 s PRO 68 N -3.20 4.60 -1.00 2.03 0.04 -1.26 -3.73 135.00 132.48 1sr3 s PRO 68 Ca 0.72 1.80 -0.04 0.00 0.04 0.00 0.00 61.00 63.52 1sr3 s PRO 68 Cb -0.26 -3.22 -0.05 0.00 0.04 0.00 0.00 34.50 31.01 1sr3 s PRO 68 CO 0.29 0.12 0.86 0.41 0.04 0.00 0.00 177.00 178.72 1sr3 n GLY 69 N 1.60 -0.86 0.00 0.56 0.00 -1.26 -4.96 105.19 100.28 1sr3 n GLY 69 Ca 0.01 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.45 1sr3 n GLY 69 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1sr3 n SER 70 N -3.06 0.00 -4.55 1.61 7.64 -1.24 -5.02 113.62 108.99 1sr3 n SER 70 Ca -0.11 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.40 1sr3 n SER 70 Cb 0.62 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.79 1sr3 n SER 70 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1sr3 s VAL 71 N -1.00 3.61 -0.14 0.44 0.11 -1.26 -4.09 120.40 118.07 1sr3 s VAL 71 Ca 0.00 -0.08 0.00 0.00 -2.93 0.00 0.00 61.98 58.97 1sr3 s VAL 71 Cb 0.00 -4.50 0.00 0.00 -1.53 0.00 0.00 36.38 30.35 1sr3 s VAL 71 CO 0.00 -1.44 0.74 0.00 -3.33 0.00 0.00 175.10 171.08 1sr3 n GLN 72 N 9.10 0.80 -1.67 1.54 6.02 0.54 -4.94 117.38 128.78 1sr3 n GLN 72 Ca 0.22 0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.82 1sr3 n GLN 72 Cb 0.50 -1.14 0.03 0.00 1.02 0.00 0.00 30.24 30.65 1sr3 n GLN 72 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.06 178.94 1sr3 n ARG 73 N 0.53 1.43 -4.11 -1.09 1.85 -1.26 -4.21 116.66 109.80 1sr3 n ARG 73 Ca 0.00 0.52 -0.35 0.00 -1.00 0.00 0.00 57.85 57.02 1sr3 n ARG 73 Cb 0.37 -2.31 -0.09 0.00 -1.05 0.00 0.00 32.46 29.38 1sr3 n ARG 73 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1sr3 s ASP 74 N -0.91 5.62 0.21 2.89 -1.08 -0.90 -4.98 116.67 117.53 1sr3 s ASP 74 Ca 0.69 0.17 0.25 0.00 -0.52 0.00 0.00 52.55 53.14 1sr3 s ASP 74 Cb -0.46 -1.83 0.90 0.00 -1.46 0.00 0.00 42.92 40.07 1sr3 s ASP 74 CO 0.52 0.28 1.75 -0.81 0.52 0.00 0.00 175.17 177.43 1sr3 n PRO 75 N 2.81 0.21 0.00 4.34 -0.04 -1.26 -3.75 135.00 137.30 1sr3 n PRO 75 Ca -0.18 0.28 0.06 0.00 -0.04 0.00 0.00 63.50 63.62 1sr3 n PRO 75 Cb 0.53 -1.80 -0.04 0.00 -0.04 0.00 0.00 33.50 32.16 1sr3 n PRO 75 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1sr3 n ASN 76 N -2.17 0.92 -3.81 3.54 3.02 -1.26 -5.05 115.26 110.44 1sr3 n ASN 76 Ca 0.04 -0.96 -0.10 0.00 -0.03 0.00 0.00 54.58 53.53 1sr3 n ASN 76 Cb 0.34 0.76 -0.05 0.00 -0.61 0.00 0.00 39.78 40.22 1sr3 n ASN 76 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1sr3 s SER 77 N -1.85 0.08 0.00 6.41 0.01 -1.25 -5.04 113.70 112.06 1sr3 s SER 77 Ca 0.07 -1.04 0.25 0.00 1.31 0.00 0.00 55.95 56.54 1sr3 s SER 77 Cb 0.09 0.61 0.47 0.00 0.21 0.00 0.00 66.02 67.41 1sr3 s SER 77 CO 0.40 -1.20 1.39 0.18 0.41 0.00 0.00 173.24 174.42 1sr3 n LEU 78 N -0.42 0.81 -4.73 2.44 4.77 -1.26 -4.12 117.00 114.49 1sr3 n LEU 78 Ca -0.02 -0.18 -0.42 0.00 -0.03 0.00 0.00 56.01 55.36 1sr3 n LEU 78 Cb 0.62 -0.17 -0.01 0.00 -2.33 0.00 0.00 43.42 41.53 1sr3 n LEU 78 CO 0.24 0.17 1.12 0.29 -1.33 0.00 0.00 177.39 177.88 1sr3 n LYS 79 N -1.15 2.48 -3.64 3.23 4.76 -1.26 -0.97 118.16 121.61 1sr3 n LYS 79 Ca 0.08 0.88 -0.05 0.00 -2.87 0.00 0.00 58.31 56.35 1sr3 n LYS 79 Cb 0.35 -2.59 -0.06 0.00 -1.84 0.00 0.00 35.03 30.88 1sr3 n LYS 79 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1sr3 s VAL 80 N -0.51 -0.26 0.25 -0.18 0.11 -0.79 -2.11 120.40 116.90 1sr3 s VAL 80 Ca 0.60 0.00 0.07 0.00 -2.93 0.00 0.00 61.98 59.72 1sr3 s VAL 80 Cb -0.53 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.29 1sr3 s VAL 80 CO 0.55 0.00 0.21 0.42 -3.33 0.00 0.00 175.10 172.95 1sr3 s THR 81 N 1.95 4.50 0.32 5.04 -4.23 -1.26 -0.37 115.64 121.59 1sr3 s THR 81 Ca -0.09 -1.37 -0.07 0.00 -1.18 0.00 0.00 61.69 58.98 1sr3 s THR 81 Cb -0.07 -3.43 0.03 0.00 1.34 0.00 0.00 72.50 70.37 1sr3 s THR 81 CO -0.19 -0.35 0.54 2.22 -0.54 0.00 0.00 174.62 176.30 1sr3 n PHE 82 N -1.18 -1.71 -4.50 3.99 -1.74 -0.51 -0.34 117.46 111.47 1sr3 n PHE 82 Ca -0.08 -1.84 -0.21 0.00 -0.56 0.00 0.00 57.45 54.76 1sr3 n PHE 82 Cb 0.58 0.62 -0.14 0.00 1.52 0.00 0.00 39.48 42.06 1sr3 n PHE 82 CO 0.00 0.00 0.00 0.99 -0.56 0.00 0.00 176.76 177.19 1sr3 s THR 83 N -2.52 1.07 -0.03 1.97 2.01 -1.26 -0.49 115.64 116.38 1sr3 s THR 83 Ca 0.20 -0.75 0.04 0.00 0.31 0.00 0.00 61.69 61.50 1sr3 s THR 83 Cb -0.02 -0.93 -0.01 0.00 0.01 0.00 0.00 72.50 71.55 1sr3 s THR 83 CO 0.14 0.17 -0.17 0.27 -0.69 0.00 0.00 174.62 174.35 1sr3 s ILE 84 N -0.54 1.36 0.25 1.82 -4.36 -0.34 -1.44 121.20 117.95 1sr3 s ILE 84 Ca 0.04 -0.70 0.01 0.00 -0.26 0.00 0.00 60.65 59.74 1sr3 s ILE 84 Cb -0.06 -1.16 -0.05 0.00 1.25 0.00 0.00 42.46 42.44 1sr3 s ILE 84 CO 0.00 0.39 0.10 -0.72 0.24 0.00 0.00 174.94 174.95 1sr3 s TYR 85 N -0.09 1.48 0.00 1.37 1.13 0.36 -0.47 117.35 121.14 1sr3 s TYR 85 Ca -0.01 -1.21 0.00 0.00 -1.41 0.00 0.00 57.07 54.45 1sr3 s TYR 85 Cb -0.10 -0.85 0.00 0.00 -1.10 0.00 0.00 41.96 39.91 1sr3 s TYR 85 CO 0.01 -0.38 0.00 -3.47 -2.51 0.00 0.00 175.55 169.21 1sr3 n ASP 86 N -0.43 0.00 0.00 -0.18 -0.08 -0.65 -1.51 116.55 113.70 1sr3 n ASP 86 Ca 0.00 -0.68 0.02 0.00 -1.51 0.00 0.00 54.79 52.63 1sr3 n ASP 86 Cb 0.66 0.00 0.13 0.00 2.34 0.00 0.00 41.12 44.25 1sr3 n ASP 86 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1sr3 n ALA 87 N -3.00 1.51 -0.01 -1.67 0.00 -1.26 -3.41 120.51 112.68 1sr3 n ALA 87 Ca 0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 53.44 53.39 1sr3 n ALA 87 Cb 0.00 -1.08 -0.01 0.00 0.00 0.00 0.00 19.45 18.36 1sr3 n ALA 87 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1sr3 n GLU 88 N -1.18 0.17 -1.03 0.00 -0.58 -1.26 -5.12 120.64 111.64 1sr3 n GLU 88 Ca 0.03 0.07 0.00 0.00 -0.42 0.00 0.00 57.16 56.84 1sr3 n GLU 88 Cb 0.03 -0.74 0.00 0.00 -0.57 0.00 0.00 31.44 30.16 1sr3 n GLU 88 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1sr3 n GLY 89 N 2.65 2.79 3.18 0.62 0.00 -1.22 -4.97 105.19 108.24 1sr3 n GLY 89 Ca -0.05 -1.15 -0.11 0.00 0.00 0.00 0.00 46.02 44.72 1sr3 n GLY 89 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sr3 s SER 90 N -0.45 0.77 -0.01 1.61 1.04 -1.15 -1.63 113.70 113.88 1sr3 s SER 90 Ca 0.00 -1.16 -0.03 0.00 0.48 0.00 0.00 55.95 55.24 1sr3 s SER 90 Cb 0.00 0.20 -0.00 0.00 0.10 0.00 0.00 66.02 66.32 1sr3 s SER 90 CO 0.00 -0.63 0.06 0.68 0.98 0.00 0.00 173.24 174.33 1sr3 s VAL 91 N -3.84 0.05 0.49 5.02 -7.23 0.38 -4.94 120.40 110.32 1sr3 s VAL 91 Ca 0.21 -0.38 -0.18 0.00 -1.81 0.00 0.00 61.98 59.82 1sr3 s VAL 91 Cb 0.07 -0.21 -0.09 0.00 0.56 0.00 0.00 36.38 36.71 1sr3 s VAL 91 CO 0.01 -0.21 0.99 -1.81 -0.31 0.00 0.00 175.10 173.77 1sr3 s ASP 92 N -0.65 6.63 0.05 4.85 1.11 -0.57 -1.20 116.67 126.89 1sr3 s ASP 92 Ca -0.07 1.67 0.04 0.00 0.18 0.00 0.00 52.55 54.37 1sr3 s ASP 92 Cb -0.04 -2.53 -0.02 0.00 1.07 0.00 0.00 42.92 41.40 1sr3 s ASP 92 CO 0.00 -0.58 -0.11 0.68 1.18 0.00 0.00 175.17 176.33 1sr3 s VAL 93 N -2.39 0.87 -0.24 -1.27 -7.23 0.35 -1.10 120.40 109.39 1sr3 s VAL 93 Ca 0.61 -1.06 0.02 0.00 -1.81 0.00 0.00 61.98 59.75 1sr3 s VAL 93 Cb -0.11 -0.84 0.05 0.00 0.56 0.00 0.00 36.38 36.04 1sr3 s VAL 93 CO 0.24 -0.18 -0.13 -0.44 -0.31 0.00 0.00 175.10 174.28 1sr3 s SER 94 N -1.38 4.13 0.36 4.85 0.01 -0.01 -1.42 113.70 120.25 1sr3 s SER 94 Ca -0.03 -1.21 0.08 0.00 1.31 0.00 0.00 55.95 56.09 1sr3 s SER 94 Cb -0.09 -1.54 -0.05 0.00 0.21 0.00 0.00 66.02 64.56 1sr3 s SER 94 CO 0.01 -0.14 0.14 -0.47 0.41 0.00 0.00 173.24 173.18 1sr3 s TYR 95 N 1.15 2.65 -0.31 2.43 5.04 0.50 -0.52 117.35 128.28 1sr3 s TYR 95 Ca -0.06 -0.45 0.04 0.00 -2.44 0.00 0.00 57.07 54.17 1sr3 s TYR 95 Cb -0.18 -1.72 0.17 0.00 0.35 0.00 0.00 41.96 40.59 1sr3 s TYR 95 CO -0.07 0.31 0.49 -2.00 -1.34 0.00 0.00 175.55 172.94 1sr3 s GLU 96 N -3.85 0.53 0.00 4.97 2.12 -1.26 -1.89 118.70 119.33 1sr3 s GLU 96 Ca 0.38 0.12 0.00 0.00 0.36 0.00 0.00 54.97 55.83 1sr3 s GLU 96 Cb -0.00 -0.12 0.00 0.00 0.26 0.00 0.00 34.13 34.26 1sr3 s GLU 96 CO 0.22 -1.07 0.00 0.41 -0.54 0.00 0.00 175.26 174.28 1sr3 n GLY 97 N 5.16 -1.32 3.65 -1.50 0.00 -0.15 -4.88 105.19 106.16 1sr3 n GLY 97 Ca 0.04 -0.95 -0.43 0.00 0.00 0.00 0.00 46.02 44.68 1sr3 n GLY 97 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1sr3 s ILE 98 N -2.59 4.22 -0.12 -0.61 -1.16 -1.26 -4.73 121.20 114.95 1sr3 s ILE 98 Ca 0.00 1.46 -0.12 0.00 -0.51 0.00 0.00 60.65 61.49 1sr3 s ILE 98 Cb 0.00 -4.01 -0.05 0.00 0.61 0.00 0.00 42.46 39.01 1sr3 s ILE 98 CO 0.00 -0.20 0.25 -0.22 -2.81 0.00 0.00 174.94 171.96 1sr3 s LEU 99 N 3.72 4.34 0.84 8.50 2.96 -1.26 -4.94 118.68 132.84 1sr3 s LEU 99 Ca 0.56 0.57 -0.13 0.00 -0.22 0.00 0.00 54.13 54.90 1sr3 s LEU 99 Cb -0.21 -2.30 0.07 0.00 0.50 0.00 0.00 46.19 44.25 1sr3 s LEU 99 CO 0.17 0.25 0.97 -2.65 -1.32 0.00 0.00 176.35 173.77 1sr3 n PRO 100 N 2.69 0.02 -0.11 0.98 -0.02 -1.26 -4.93 135.00 132.37 1sr3 n PRO 100 Ca -0.15 0.08 -0.13 0.00 -2.02 0.00 0.00 63.50 61.27 1sr3 n PRO 100 Cb 0.53 -2.25 -0.03 0.00 -0.02 0.00 0.00 33.50 31.73 1sr3 n PRO 100 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1sr3 h ASP 101 N -1.09 0.93 0.29 2.55 1.82 -2.02 -3.09 116.42 115.81 1sr3 h ASP 101 Ca -0.45 -0.47 -0.03 0.00 -0.39 0.00 0.00 57.03 55.68 1sr3 h ASP 101 Cb 1.30 -0.26 -0.00 0.00 0.68 0.00 0.00 39.33 41.04 1sr3 h ASP 101 CO 0.43 1.21 -0.16 -0.07 -1.61 0.00 0.00 179.24 179.05 1sr3 h LEU 102 N 0.66 0.00 -8.77 2.28 3.38 -1.97 -3.42 115.31 107.46 1sr3 h LEU 102 Ca 0.05 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.47 1sr3 h LEU 102 Cb 0.96 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 1sr3 h LEU 102 CO 0.09 0.16 1.37 0.12 0.09 0.00 0.00 178.44 180.26 1sr3 s PHE 103 N -4.37 1.60 0.12 1.13 2.19 -1.17 -4.94 117.98 112.54 1sr3 s PHE 103 Ca -0.03 0.76 0.03 0.00 0.33 0.00 0.00 56.93 58.02 1sr3 s PHE 103 Cb 0.14 -4.03 -0.04 0.00 -1.31 0.00 0.00 43.02 37.79 1sr3 s PHE 103 CO 0.63 -2.93 -0.09 1.03 1.83 0.00 0.00 175.22 175.69 1sr3 s ARG 104 N 6.36 0.94 -0.48 10.12 1.81 -1.26 -4.91 118.95 131.53 1sr3 s ARG 104 Ca 0.82 -1.34 -0.28 0.00 -1.72 0.00 0.00 55.73 53.21 1sr3 s ARG 104 Cb -0.21 -0.48 -0.01 0.00 -0.45 0.00 0.00 34.95 33.80 1sr3 s ARG 104 CO 0.30 0.05 1.72 -1.21 -0.68 0.00 0.00 175.30 175.48 1sr3 s GLU 105 N -3.53 3.09 0.00 3.54 2.02 -1.26 -2.29 118.70 120.27 1sr3 s GLU 105 Ca 0.12 0.92 0.00 0.00 0.02 0.00 0.00 54.97 56.04 1sr3 s GLU 105 Cb 0.02 -4.24 0.00 0.00 0.10 0.00 0.00 34.13 30.01 1sr3 s GLU 105 CO -0.01 -2.16 0.00 0.41 0.02 0.00 0.00 175.26 173.52 1sr3 n GLY 106 N 5.46 1.66 3.52 -1.39 0.00 -0.42 -4.81 105.19 109.22 1sr3 n GLY 106 Ca 0.20 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 1sr3 n GLY 106 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1sr3 s GLN 107 N -0.56 1.78 0.18 1.61 -2.07 -0.97 -4.93 119.66 114.71 1sr3 s GLN 107 Ca 0.00 -1.90 -0.29 0.00 -1.82 0.00 0.00 55.36 51.35 1sr3 s GLN 107 Cb 0.00 -1.70 -0.08 0.00 -1.09 0.00 0.00 33.01 30.14 1sr3 s GLN 107 CO 0.00 0.18 0.91 0.20 -1.32 0.00 0.00 175.29 175.26 1sr3 s GLY 108 N -3.58 3.04 0.32 2.60 0.00 -1.26 -1.59 107.32 106.84 1sr3 s GLY 108 Ca 0.32 0.55 0.03 0.00 0.00 0.00 0.00 44.72 45.62 1sr3 s GLY 108 CO 0.16 1.21 0.15 -1.34 0.00 0.00 0.00 173.10 173.28 1sr3 s VAL 109 N -0.79 0.42 -0.03 1.40 -7.23 0.06 -4.13 120.40 110.11 1sr3 s VAL 109 Ca 0.42 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.63 1sr3 s VAL 109 Cb -0.25 -2.51 -0.01 0.00 0.56 0.00 0.00 36.38 34.17 1sr3 s VAL 109 CO 0.30 0.00 -0.16 -0.69 -0.31 0.00 0.00 175.10 174.24 1sr3 s VAL 110 N -3.54 1.31 0.22 1.32 1.01 0.26 -2.34 120.40 118.65 1sr3 s VAL 110 Ca 0.34 -0.68 0.10 0.00 0.00 0.00 0.00 61.98 61.75 1sr3 s VAL 110 Cb 0.05 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 1sr3 s VAL 110 CO 0.17 0.38 -0.14 -0.69 0.00 0.00 0.00 175.10 174.81 1sr3 s VAL 111 N -0.14 2.84 -0.10 2.92 1.01 0.48 -0.56 120.40 126.85 1sr3 s VAL 111 Ca 0.01 -2.00 -0.12 0.00 0.00 0.00 0.00 61.98 59.87 1sr3 s VAL 111 Cb -0.09 -2.44 0.03 0.00 0.00 0.00 0.00 36.38 33.88 1sr3 s VAL 111 CO 0.01 -0.23 0.33 -1.58 0.00 0.00 0.00 175.10 173.62 1sr3 s GLN 112 N -3.12 0.44 0.00 2.72 0.74 -1.26 -0.79 119.66 118.39 1sr3 s GLN 112 Ca 0.26 0.33 0.00 0.00 0.05 0.00 0.00 55.36 56.01 1sr3 s GLN 112 Cb -0.07 0.21 0.00 0.00 1.10 0.00 0.00 33.01 34.25 1sr3 s GLN 112 CO 0.15 -0.07 0.00 0.41 -0.55 0.00 0.00 175.29 175.22 1sr3 n GLY 113 N 2.60 -1.27 3.16 2.59 0.00 -0.55 -0.07 105.19 111.65 1sr3 n GLY 113 Ca -0.15 0.59 -0.08 0.00 0.00 0.00 0.00 46.02 46.38 1sr3 n GLY 113 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sr3 s GLU 114 N 0.00 0.78 0.30 1.61 2.02 -0.71 -2.51 118.70 120.20 1sr3 s GLU 114 Ca 0.00 -1.17 -0.25 0.00 0.02 0.00 0.00 54.97 53.57 1sr3 s GLU 114 Cb 0.00 0.27 -0.10 0.00 0.10 0.00 0.00 34.13 34.41 1sr3 s GLU 114 CO 0.00 -0.21 0.90 -1.17 0.02 0.00 0.00 175.26 174.80 1sr3 s LEU 115 N -2.93 4.35 0.00 1.80 2.96 -0.85 -0.45 118.68 123.56 1sr3 s LEU 115 Ca 0.10 1.75 0.00 0.00 -0.22 0.00 0.00 54.13 55.76 1sr3 s LEU 115 Cb 0.06 -3.92 0.00 0.00 0.50 0.00 0.00 46.19 42.83 1sr3 s LEU 115 CO -0.08 -0.04 0.00 1.21 -1.32 0.00 0.00 176.35 176.12 1sr3 n GLU 116 N 0.61 0.00 0.00 1.98 0.00 0.40 -4.66 120.64 118.97 1sr3 n GLU 116 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.17 1sr3 n GLU 116 Cb 0.50 -0.34 0.00 0.00 0.00 0.00 0.00 31.44 31.60 1sr3 n GLU 116 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1sr3 n LYS 117 N -2.24 0.00 -1.87 5.31 5.02 -1.26 -4.92 118.16 118.20 1sr3 n LYS 117 Ca 0.00 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.88 1sr3 n LYS 117 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.00 1sr3 n LYS 117 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1sr3 n GLY 118 N -0.55 3.37 4.20 0.72 0.00 -1.26 -3.95 105.19 107.72 1sr3 n GLY 118 Ca 0.00 -1.43 -0.32 0.00 0.00 0.00 0.00 46.02 44.27 1sr3 n GLY 118 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sr3 n ASN 119 N 7.58 -0.85 -4.17 1.61 5.03 -1.26 -4.73 115.26 118.47 1sr3 n ASN 119 Ca 0.50 -1.12 -0.30 0.00 0.87 0.00 0.00 54.58 54.53 1sr3 n ASN 119 Cb 0.42 -2.38 -0.17 0.00 -1.02 0.00 0.00 39.78 36.63 1sr3 n ASN 119 CO 0.00 0.00 0.00 -2.28 -1.83 0.00 0.00 177.26 173.15 1sr3 s HIS 120 N -3.84 2.30 -0.16 3.10 2.46 -1.25 -1.51 115.29 116.39 1sr3 s HIS 120 Ca 0.28 -0.95 -0.06 0.00 0.47 0.00 0.00 55.06 54.79 1sr3 s HIS 120 Cb -0.16 -1.56 -0.04 0.00 -0.13 0.00 0.00 32.58 30.69 1sr3 s HIS 120 CO 0.95 -0.41 0.06 0.42 -2.47 0.00 0.00 174.74 173.29 1sr3 s ILE 121 N 0.48 4.82 -0.36 0.89 -1.09 -0.26 -0.45 121.20 125.23 1sr3 s ILE 121 Ca -0.17 -0.03 -0.29 0.00 -2.23 0.00 0.00 60.65 57.93 1sr3 s ILE 121 Cb -0.17 -3.14 0.02 0.00 -1.58 0.00 0.00 42.46 37.59 1sr3 s ILE 121 CO 0.06 0.51 1.14 -0.76 -1.23 0.00 0.00 174.94 174.66 1sr3 s LEU 122 N -0.02 3.84 -0.03 2.97 2.01 0.40 -0.83 118.68 127.02 1sr3 s LEU 122 Ca 0.06 0.92 -0.27 0.00 0.01 0.00 0.00 54.13 54.85 1sr3 s LEU 122 Cb -0.12 -3.54 -0.03 0.00 0.01 0.00 0.00 46.19 42.50 1sr3 s LEU 122 CO 0.01 -1.03 0.85 0.00 1.01 0.00 0.00 176.35 177.20 1sr3 s ALA 123 N 4.03 3.24 -0.15 4.21 0.00 0.32 -1.74 121.76 131.68 1sr3 s ALA 123 Ca 0.48 0.36 0.20 0.00 0.00 0.00 0.00 51.96 53.01 1sr3 s ALA 123 Cb -0.12 -3.17 -0.15 0.00 0.00 0.00 0.00 23.12 19.69 1sr3 s ALA 123 CO 0.21 -0.17 0.75 0.36 0.00 0.00 0.00 175.76 176.91 1sr3 n LYS 124 N 3.84 0.63 0.00 0.00 -0.00 0.90 -4.30 118.16 119.23 1sr3 n LYS 124 Ca 0.03 0.05 0.00 0.00 -0.00 0.00 0.00 58.31 58.39 1sr3 n LYS 124 Cb 0.51 -1.71 0.00 0.00 -0.00 0.00 0.00 35.03 33.83 1sr3 n LYS 124 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1sr3 n GLU 125 N -2.62 0.00 -1.82 -1.58 0.28 -1.25 -4.91 120.64 108.73 1sr3 n GLU 125 Ca -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.94 1sr3 n GLU 125 Cb 0.68 -0.45 0.00 0.00 1.43 0.00 0.00 31.44 33.10 1sr3 n GLU 125 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 1sr3 n VAL 126 N -1.08 -6.53 -4.15 3.84 0.31 -1.26 -4.91 118.33 104.55 1sr3 n VAL 126 Ca 0.00 1.82 -0.13 0.00 -0.01 0.00 0.00 64.34 66.02 1sr3 n VAL 126 Cb 0.00 -2.96 -0.11 0.00 -0.91 0.00 0.00 33.84 29.87 1sr3 n VAL 126 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1sr3 s LEU 127 N -0.59 2.41 -0.28 7.52 1.43 0.28 -4.77 118.68 124.68 1sr3 s LEU 127 Ca 0.00 -0.83 0.09 0.00 -1.03 0.00 0.00 54.13 52.36 1sr3 s LEU 127 Cb 0.00 -0.18 0.50 0.00 0.03 0.00 0.00 46.19 46.54 1sr3 s LEU 127 CO 0.00 -0.33 1.44 0.00 0.23 0.00 0.00 176.35 177.69 1sr3 n ALA 128 N 0.52 4.28 -4.01 4.21 0.00 -1.26 -0.57 120.51 123.67 1sr3 n ALA 128 Ca -0.16 -3.19 -0.44 0.00 0.00 0.00 0.00 53.44 49.65 1sr3 n ALA 128 Cb 0.58 -0.69 0.02 0.00 0.00 0.00 0.00 19.45 19.37 1sr3 n ALA 128 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1sr3 n LYS 129 N -1.13 -0.41 -2.36 0.00 4.76 -1.26 -4.77 118.16 112.99 1sr3 n LYS 129 Ca 0.32 0.15 -0.36 0.00 -2.87 0.00 0.00 58.31 55.55 1sr3 n LYS 129 Cb 0.99 -2.74 0.02 0.00 -1.84 0.00 0.00 35.03 31.46 1sr3 n LYS 129 CO 0.00 0.00 0.00 -2.39 -1.37 0.00 0.00 177.40 173.64 1sr3 n HIS 130 N -4.86 3.16 -3.33 2.13 1.44 -1.26 -4.92 115.22 107.58 1sr3 n HIS 130 Ca -0.11 -2.77 -0.14 0.00 -2.01 0.00 0.00 57.72 52.69 1sr3 n HIS 130 Cb 0.57 -0.87 0.01 0.00 0.12 0.00 0.00 29.99 29.82 1sr3 n HIS 130 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 1sr3 n ASP 131 N -0.37 -6.58 -4.20 4.39 2.03 -1.26 -5.04 116.55 105.53 1sr3 n ASP 131 Ca 0.46 -0.29 -0.20 0.00 0.52 0.00 0.00 54.79 55.28 1sr3 n ASP 131 Cb 0.35 -3.69 -0.12 0.00 -0.72 0.00 0.00 41.12 36.93 1sr3 n ASP 131 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 1sr3 s GLU 132 N -3.53 0.92 0.00 -0.67 4.04 -1.26 -4.98 118.70 113.22 1sr3 s GLU 132 Ca 0.08 -0.98 0.00 0.00 0.04 0.00 0.00 54.97 54.11 1sr3 s GLU 132 Cb -0.01 -0.99 0.00 0.00 0.02 0.00 0.00 34.13 33.15 1sr3 s GLU 132 CO 0.82 0.23 0.00 -1.71 -1.84 0.00 0.00 175.26 172.75 1sr3 n ASN 133 N 1.32 0.00 -3.51 0.83 5.15 -1.26 -5.05 115.26 112.74 1sr3 n ASN 133 Ca -0.20 0.00 -0.16 0.00 -0.60 0.00 0.00 54.58 53.62 1sr3 n ASN 133 Cb 0.54 0.00 -0.07 0.00 -0.53 0.00 0.00 39.78 39.72 1sr3 n ASN 133 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1sr3 s TYR 134 N -1.00 1.33 -0.16 1.20 5.04 -1.26 -5.18 117.35 117.32 1sr3 s TYR 134 Ca 0.00 -1.43 -0.10 0.00 -2.44 0.00 0.00 57.07 53.10 1sr3 s TYR 134 Cb 0.00 -0.42 0.05 0.00 0.35 0.00 0.00 41.96 41.95 1sr3 s TYR 134 CO 0.00 -0.93 0.40 0.99 -1.34 0.00 0.00 175.55 174.67 1sr3 s THR 135 N -3.47 -0.02 1.33 4.34 2.01 -1.26 -5.18 115.64 113.39 1sr3 s THR 135 Ca 0.36 0.07 -0.19 0.00 0.31 0.00 0.00 61.69 62.24 1sr3 s THR 135 Cb 0.02 -0.59 0.34 0.00 0.01 0.00 0.00 72.50 72.28 1sr3 s THR 135 CO 0.21 0.03 0.96 -2.84 -0.69 0.00 0.00 174.62 172.30 1sr3 s PRO 136 N 1.10 -2.21 0.00 4.92 0.02 -1.26 -5.07 135.00 132.51 1sr3 s PRO 136 Ca -0.07 0.42 0.00 0.00 0.02 0.00 0.00 61.00 61.37 1sr3 s PRO 136 Cb -0.07 -1.44 0.00 0.00 0.02 0.00 0.00 34.50 33.01 1sr3 s PRO 136 CO -0.09 -4.47 0.00 -0.35 -0.33 0.00 0.00 177.00 171.76 1sr3 n PRO 137 N -5.39 -0.61 -3.64 5.54 -0.04 -1.26 -4.59 135.00 125.01 1sr3 n PRO 137 Ca 0.08 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.32 1sr3 n PRO 137 Cb 0.58 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 34.09 1sr3 n PRO 137 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1sr3 n GLU 138 N -1.25 -6.14 0.00 0.54 1.02 -1.26 -4.67 120.64 108.88 1sr3 n GLU 138 Ca 0.00 0.73 0.00 0.00 -0.02 0.00 0.00 57.16 57.87 1sr3 n GLU 138 Cb 0.00 -5.58 0.00 0.00 -0.02 0.00 0.00 31.44 25.84 1sr3 n GLU 138 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 1sr3 n VAL 139 N -4.44 0.00 -0.26 2.62 3.14 -1.26 -4.96 118.33 113.16 1sr3 n VAL 139 Ca -0.18 0.00 0.04 0.00 -2.96 0.00 0.00 64.34 61.24 1sr3 n VAL 139 Cb 0.63 0.00 0.26 0.00 -1.06 0.00 0.00 33.84 33.67 1sr3 n VAL 139 CO 0.00 0.00 0.00 -0.08 -6.46 0.00 0.00 176.83 170.29 1sr3 h GLU 140 N 0.00 0.94 0.00 1.45 4.81 -1.83 -3.44 114.58 116.51 1sr3 h GLU 140 Ca 0.00 -0.06 -0.15 0.00 -0.13 0.00 0.00 59.36 59.03 1sr3 h GLU 140 Cb 0.00 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.13 1sr3 h GLU 140 CO 0.00 0.62 -0.05 1.17 -0.73 0.00 0.00 179.01 180.03 1sr3 n LYS 141 N -4.47 0.47 -3.34 1.92 4.81 -1.26 -5.07 118.16 111.22 1sr3 n LYS 141 Ca 0.12 -1.64 -0.19 0.00 -0.87 0.00 0.00 58.31 55.74 1sr3 n LYS 141 Cb 0.17 1.64 0.01 0.00 0.02 0.00 0.00 35.03 36.87 1sr3 n LYS 141 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1sr3 n ALA 142 N -1.60 -2.65 -0.08 3.14 0.00 -1.26 -4.76 120.51 113.31 1sr3 n ALA 142 Ca -0.09 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1sr3 n ALA 142 Cb 0.36 -1.95 0.00 0.00 0.00 0.00 0.00 19.45 17.86 1sr3 n ALA 142 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17