#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p1w h THR 29 N 0.00 1.28 -0.44 6.66 2.02 -1.92 -3.04 112.91 117.48 2p1w h THR 29 Ca 0.00 -1.03 -0.06 0.00 0.77 0.00 0.00 66.41 66.10 2p1w h THR 29 Cb 0.00 1.54 -0.02 0.00 -1.74 0.00 0.00 68.15 67.93 2p1w h THR 29 CO 0.00 0.31 0.04 -1.13 0.37 0.00 0.00 175.52 175.11 2p1w h ASN 30 N 0.12 0.65 -0.87 4.18 -1.24 -1.95 -2.28 115.58 114.20 2p1w h ASN 30 Ca 0.05 -0.13 0.01 0.00 0.71 0.00 0.00 56.30 56.94 2p1w h ASN 30 Cb 0.50 -0.17 -0.04 0.00 0.73 0.00 0.00 38.32 39.33 2p1w h ASN 30 CO 0.02 0.70 0.57 0.50 -1.29 0.00 0.00 177.43 177.93 2p1w h LYS 31 N 0.66 1.14 -0.31 6.67 3.64 -1.99 -1.41 116.57 124.97 2p1w h LYS 31 Ca 0.14 -0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 59.39 2p1w h LYS 31 Cb 0.36 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 2p1w h LYS 31 CO 0.01 0.75 -0.06 1.25 -2.27 0.00 0.00 179.45 179.13 2p1w h HIS 32 N 1.17 0.66 -0.67 1.91 2.76 -1.37 -2.36 115.15 117.26 2p1w h HIS 32 Ca 0.32 -0.14 0.04 0.00 -2.20 0.00 0.00 60.37 58.39 2p1w h HIS 32 Cb -0.13 -0.16 -0.05 0.00 1.55 0.00 0.00 27.41 28.62 2p1w h HIS 32 CO -0.01 0.76 0.40 -0.07 -1.30 0.00 0.00 177.93 177.71 2p1w h LEU 33 N 0.37 0.63 -0.47 0.26 3.38 -1.02 -1.29 115.31 117.17 2p1w h LEU 33 Ca 0.08 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 2p1w h LEU 33 Cb 0.54 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 2p1w h LEU 33 CO 0.03 0.42 0.25 0.11 0.09 0.00 0.00 178.44 179.34 2p1w h LYS 34 N 0.76 0.66 0.00 1.13 1.57 -1.16 0.23 116.57 119.76 2p1w h LYS 34 Ca 0.28 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 2p1w h LYS 34 Cb 0.09 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.27 2p1w h LYS 34 CO -0.14 0.54 0.00 0.09 -0.57 0.00 0.00 179.45 179.37 2p1w n ASN 35 N -4.66 0.00 -0.06 0.86 3.02 -0.90 -3.26 115.26 110.26 2p1w n ASN 35 Ca 0.01 0.23 0.02 0.00 -0.03 0.00 0.00 54.58 54.82 2p1w n ASN 35 Cb 0.09 -0.41 0.03 0.00 -0.61 0.00 0.00 39.78 38.88 2p1w n ASN 35 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2p1w n ASN 36 N -1.41 1.42 -0.35 6.41 3.02 -0.52 -4.89 115.26 118.94 2p1w n ASN 36 Ca 0.10 -2.00 -0.10 0.00 -0.03 0.00 0.00 54.58 52.55 2p1w n ASN 36 Cb 0.29 -0.11 -0.07 0.00 -0.61 0.00 0.00 39.78 39.27 2p1w n ASN 36 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 2p1w h PHE 37 N 0.00 -1.71 -0.10 3.10 3.57 -0.52 0.26 116.94 121.54 2p1w h PHE 37 Ca 0.00 0.12 -0.16 0.00 3.53 0.00 0.00 57.97 61.46 2p1w h PHE 37 Cb 0.80 0.86 -0.01 0.00 2.79 0.00 0.00 35.95 40.40 2p1w h PHE 37 CO 0.01 -0.40 -0.63 -0.91 -2.23 0.00 0.00 178.31 174.16 2p1w h ASN 38 N -0.08 0.41 -0.12 0.41 2.35 -1.87 -2.52 115.58 114.16 2p1w h ASN 38 Ca 0.17 -0.24 -0.01 0.00 -0.55 0.00 0.00 56.30 55.68 2p1w h ASN 38 Cb 0.48 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.72 2p1w h ASN 38 CO -0.87 0.93 0.04 -1.28 -1.65 0.00 0.00 177.43 174.60 2p1w h SER 39 N 0.26 0.17 -0.26 5.81 0.87 -1.61 -0.19 113.55 118.60 2p1w h SER 39 Ca -0.01 -0.19 -0.00 0.00 -1.23 0.00 0.00 61.79 60.36 2p1w h SER 39 Cb 1.16 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 63.06 2p1w h SER 39 CO 0.10 0.31 0.16 -0.07 -0.53 0.00 0.00 176.83 176.81 2p1w h LEU 40 N 0.02 0.31 -0.13 2.23 3.38 -0.57 -2.05 115.31 118.50 2p1w h LEU 40 Ca 0.04 -0.04 0.02 0.00 0.09 0.00 0.00 57.88 57.99 2p1w h LEU 40 Cb 0.20 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 2p1w h LEU 40 CO -0.00 0.26 -0.01 -0.74 0.09 0.00 0.00 178.44 178.04 2p1w h HIS 41 N 0.33 -0.03 -0.51 1.13 2.76 -1.37 -2.74 115.15 114.73 2p1w h HIS 41 Ca 0.09 0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.30 2p1w h HIS 41 Cb 0.01 0.03 -0.03 0.00 1.55 0.00 0.00 27.41 28.97 2p1w h HIS 41 CO -0.05 -0.03 0.34 -0.91 -1.30 0.00 0.00 177.93 175.98 2p1w h ASN 42 N 0.03 0.51 0.00 3.26 2.35 -0.85 -0.82 115.58 120.05 2p1w h ASN 42 Ca 0.06 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 2p1w h ASN 42 Cb 0.08 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.33 2p1w h ASN 42 CO -0.11 0.35 0.00 0.00 -1.65 0.00 0.00 177.43 176.02 2p1w n GLN 43 N -4.47 0.85 0.00 0.81 6.02 -0.79 -3.86 117.38 115.95 2p1w n GLN 43 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.05 2p1w n GLN 43 Cb 0.14 -1.31 0.00 0.00 1.02 0.00 0.00 30.24 30.09 2p1w n GLN 43 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.06 178.94 2p1w n ARG 45 N 0.24 0.00 -3.72 -1.09 1.85 -0.31 -5.00 116.66 108.62 2p1w n ARG 45 Ca 0.00 0.00 -0.31 0.00 -1.00 0.00 0.00 57.85 56.54 2p1w n ARG 45 Cb 0.28 -0.00 -0.09 0.00 -1.05 0.00 0.00 32.46 31.60 2p1w n ARG 45 CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 177.63 177.98 2p1w n LYS 46 N 0.00 2.30 -4.29 2.89 2.85 -1.25 -5.17 118.16 115.49 2p1w n LYS 46 Ca 0.00 -4.52 -0.25 0.00 -1.05 0.00 0.00 58.31 52.49 2p1w n LYS 46 Cb 0.00 -2.34 -0.08 0.00 -0.65 0.00 0.00 35.03 31.96 2p1w n LYS 46 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 2p1w s PRO 48 N -1.61 2.17 0.51 -1.58 0.04 -1.26 -5.25 135.00 128.03 2p1w s PRO 48 Ca 0.28 -1.33 -0.21 0.00 0.04 0.00 0.00 61.00 59.78 2p1w s PRO 48 Cb -0.03 -2.17 -0.08 0.00 0.04 0.00 0.00 34.50 32.27 2p1w s PRO 48 CO -0.13 0.41 0.91 1.33 0.04 0.00 0.00 177.00 179.56 2p1w n VAL 49 N -0.37 2.88 -2.25 -0.36 0.24 -1.26 -4.96 118.33 112.26 2p1w n VAL 49 Ca -0.09 -0.50 -0.31 0.00 -2.04 0.00 0.00 64.34 61.41 2p1w n VAL 49 Cb 0.57 -1.07 -0.01 0.00 -1.47 0.00 0.00 33.84 31.86 2p1w n VAL 49 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2p1w s SER 50 N -1.00 6.39 -0.10 -1.34 0.01 -1.26 -5.07 113.70 111.32 2p1w s SER 50 Ca 0.69 1.37 0.03 0.00 1.31 0.00 0.00 55.95 59.34 2p1w s SER 50 Cb -0.48 -2.43 0.01 0.00 0.21 0.00 0.00 66.02 63.32 2p1w s SER 50 CO 0.53 -0.69 -0.19 -2.28 0.41 0.00 0.00 173.24 171.02 2p1w s HIS 51 N -2.86 2.20 -0.21 2.43 5.04 -1.26 -5.09 115.29 115.54 2p1w s HIS 51 Ca 0.55 -0.95 0.00 0.00 -1.54 0.00 0.00 55.06 53.12 2p1w s HIS 51 Cb -0.10 -1.52 0.02 0.00 0.04 0.00 0.00 32.58 31.02 2p1w s HIS 51 CO 0.43 -0.43 -0.14 -0.06 -2.34 0.00 0.00 174.74 172.20 2p1w s PHE 52 N 0.63 2.93 -0.70 3.88 0.08 -1.26 -4.95 117.98 118.59 2p1w s PHE 52 Ca -0.13 -1.63 -0.27 0.00 0.12 0.00 0.00 56.93 55.02 2p1w s PHE 52 Cb -0.16 -1.97 0.02 0.00 -0.57 0.00 0.00 43.02 40.34 2p1w s PHE 52 CO 0.04 -0.77 1.32 0.21 -0.10 0.00 0.00 175.22 175.92 2p1w s LYS 53 N 1.30 3.20 0.51 0.44 2.20 -1.26 -4.98 119.74 121.15 2p1w s LYS 53 Ca 0.02 -0.06 -0.21 0.00 -0.36 0.00 0.00 55.97 55.37 2p1w s LYS 53 Cb -0.15 -4.17 -0.06 0.00 -1.51 0.00 0.00 37.83 31.94 2p1w s LYS 53 CO -0.09 -2.12 1.15 -1.21 -0.36 0.00 0.00 175.35 172.72 2p1w s GLU 54 N 5.72 3.49 0.19 4.03 2.02 -1.26 -3.85 118.70 129.05 2p1w s GLU 54 Ca 0.40 1.68 -0.17 0.00 0.02 0.00 0.00 54.97 56.91 2p1w s GLU 54 Cb -0.08 -2.15 -0.08 0.00 0.10 0.00 0.00 34.13 31.92 2p1w s GLU 54 CO 0.18 -0.75 0.64 0.00 0.02 0.00 0.00 175.26 175.34 2p1w s ALA 55 N -1.68 3.49 -0.12 5.21 0.00 -0.28 -4.96 121.76 123.42 2p1w s ALA 55 Ca 0.70 0.01 0.01 0.00 0.00 0.00 0.00 51.96 52.67 2p1w s ALA 55 Cb -0.26 -2.67 -0.08 0.00 0.00 0.00 0.00 23.12 20.11 2p1w s ALA 55 CO 0.30 0.39 -0.11 1.28 0.00 0.00 0.00 175.76 177.62 2p1w n LEU 56 N 0.66 2.94 -3.51 0.00 4.77 -1.26 -4.09 117.00 116.51 2p1w n LEU 56 Ca -0.03 -0.06 -0.40 0.00 -0.03 0.00 0.00 56.01 55.49 2p1w n LEU 56 Cb 0.52 -0.42 -0.02 0.00 -2.33 0.00 0.00 43.42 41.17 2p1w n LEU 56 CO 0.43 0.69 2.99 -0.67 -1.33 0.00 0.00 177.39 179.50 2p1w n ASP 57 N -2.87 6.10 -4.45 -1.43 2.03 -1.26 -4.86 116.55 109.80 2p1w n ASP 57 Ca -0.21 -2.69 -0.22 0.00 0.52 0.00 0.00 54.79 52.18 2p1w n ASP 57 Cb 0.73 -1.57 -0.10 0.00 -0.72 0.00 0.00 41.12 39.45 2p1w n ASP 57 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 2p1w s VAL 58 N 2.81 1.72 0.56 5.18 -7.23 -1.26 -4.73 120.40 117.45 2p1w s VAL 58 Ca 0.58 -2.13 -0.15 0.00 -1.81 0.00 0.00 61.98 58.47 2p1w s VAL 58 Cb 0.16 -2.52 -0.06 0.00 0.56 0.00 0.00 36.38 34.52 2p1w s VAL 58 CO -0.07 -0.26 1.01 -2.84 -0.31 0.00 0.00 175.10 172.64 2p1w s PRO 59 N -3.72 3.70 0.68 4.82 0.02 -1.26 -5.07 135.00 134.17 2p1w s PRO 59 Ca 0.31 0.98 -0.02 0.00 0.02 0.00 0.00 61.00 62.29 2p1w s PRO 59 Cb 0.04 -2.10 0.09 0.00 0.02 0.00 0.00 34.50 32.56 2p1w s PRO 59 CO 0.13 -0.48 0.95 0.16 -0.33 0.00 0.00 177.00 177.43 2p1w s ASP 60 N -3.21 4.64 0.16 2.53 1.47 -1.26 -4.94 116.67 116.06 2p1w s ASP 60 Ca 0.59 -0.06 -0.17 0.00 1.18 0.00 0.00 52.55 54.09 2p1w s ASP 60 Cb -0.12 -0.50 0.07 0.00 -0.34 0.00 0.00 42.92 42.04 2p1w s ASP 60 CO 0.37 -1.65 1.71 0.22 0.68 0.00 0.00 175.17 176.50 2p1w h TYR 61 N -0.43 0.02 -0.20 2.11 3.20 -1.95 -1.17 116.97 118.55 2p1w h TYR 61 Ca -0.40 0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.53 2p1w h TYR 61 Cb 1.28 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.59 2p1w h TYR 61 CO 0.02 -0.04 0.14 0.66 -1.64 0.00 0.00 178.16 177.29 2p1w h SER 62 N 0.12 0.10 0.00 -2.11 4.64 -1.97 -3.01 113.55 111.33 2p1w h SER 62 Ca 0.17 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 2p1w h SER 62 Cb 0.22 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 2p1w h SER 62 CO -0.27 0.07 0.00 0.61 -0.87 0.00 0.00 176.83 176.37 2p1w n GLY 63 N -1.55 0.99 0.63 -0.77 0.00 -0.44 -5.02 105.19 99.03 2p1w n GLY 63 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2p1w n GLY 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2p1w n ARG 65 N 1.55 -0.84 0.00 1.61 1.74 -1.14 -4.62 116.66 114.96 2p1w n ARG 65 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2p1w n ARG 65 Cb 0.16 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.60 2p1w n ARG 65 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2p1w n GLY 68 N -0.11 -0.43 0.05 -0.13 0.00 -1.26 -5.05 105.19 98.27 2p1w n GLY 68 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 2p1w n GLY 68 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2p1w n PHE 69 N 0.00 0.00 -2.85 1.61 -0.00 -1.26 -4.72 117.46 110.23 2p1w n PHE 69 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 57.45 57.38 2p1w n PHE 69 Cb 0.00 -0.23 -0.00 0.00 -0.00 0.00 0.00 39.48 39.25 2p1w n PHE 69 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 176.76 176.88 2p1w s PHE 70 N -2.12 -1.29 0.00 -5.13 2.19 -1.26 -0.46 117.98 109.91 2p1w s PHE 70 Ca -0.08 -0.76 0.00 0.00 0.33 0.00 0.00 56.93 56.42 2p1w s PHE 70 Cb 0.02 0.17 0.00 0.00 -1.31 0.00 0.00 43.02 41.90 2p1w s PHE 70 CO 0.14 -1.22 0.00 0.00 1.83 0.00 0.00 175.22 175.97 2p1w n ALA 71 N 2.97 0.00 0.00 11.12 0.00 -1.05 -4.98 120.51 128.58 2p1w n ALA 71 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.63 2p1w n ALA 71 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 2p1w n ALA 71 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2p1w n SER 73 N 0.00 0.00 -2.88 0.00 2.88 -0.57 -0.29 113.62 112.76 2p1w n SER 73 Ca 0.00 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.32 2p1w n SER 73 Cb 0.00 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.49 2p1w n SER 73 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2p1w n GLN 74 N 0.00 -4.48 0.00 -1.46 1.13 -1.26 -1.56 117.38 109.75 2p1w n GLN 74 Ca 0.00 0.90 0.00 0.00 -1.94 0.00 0.00 57.00 55.96 2p1w n GLN 74 Cb 0.00 -5.70 0.00 0.00 0.11 0.00 0.00 30.24 24.65 2p1w n GLN 74 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2p1w n GLY 75 N -1.46 2.26 3.66 1.08 0.00 -1.26 -4.91 105.19 104.55 2p1w n GLY 75 Ca -0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 2p1w n GLY 75 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2p1w s PHE 76 N -2.45 3.37 -0.30 1.61 0.08 -0.60 -1.18 117.98 118.52 2p1w s PHE 76 Ca 0.00 0.97 -0.28 0.00 0.12 0.00 0.00 56.93 57.75 2p1w s PHE 76 Cb 0.00 -2.84 0.01 0.00 -0.57 0.00 0.00 43.02 39.62 2p1w s PHE 76 CO 0.00 -0.20 0.99 -1.14 -0.10 0.00 0.00 175.22 174.77 2p1w s GLN 77 N 2.01 4.08 -0.08 0.44 0.74 0.98 -1.52 119.66 126.31 2p1w s GLN 77 Ca 0.30 1.00 -0.13 0.00 0.05 0.00 0.00 55.36 56.58 2p1w s GLN 77 Cb -0.16 -3.72 -0.05 0.00 1.10 0.00 0.00 33.01 30.19 2p1w s GLN 77 CO 0.10 -0.79 0.32 -0.51 -0.55 0.00 0.00 175.29 173.86 2p1w s LEU 78 N 3.39 4.38 -0.07 3.68 1.43 0.61 -1.87 118.68 130.23 2p1w s LEU 78 Ca 0.42 0.72 -0.03 0.00 -1.03 0.00 0.00 54.13 54.21 2p1w s LEU 78 Cb -0.13 -2.42 0.04 0.00 0.03 0.00 0.00 46.19 43.71 2p1w s LEU 78 CO 0.13 0.27 0.14 0.21 0.23 0.00 0.00 176.35 177.33 2p1w s ASN 79 N -0.56 0.47 -0.45 2.29 2.47 -0.14 -2.53 114.94 116.50 2p1w s ASN 79 Ca 0.20 0.29 0.03 0.00 0.42 0.00 0.00 52.86 53.80 2p1w s ASN 79 Cb -0.15 0.20 0.13 0.00 -1.45 0.00 0.00 41.25 39.98 2p1w s ASN 79 CO 0.08 -0.21 0.22 0.21 -3.72 0.00 0.00 177.10 173.68 2p1w s ASN 80 N 1.87 3.99 0.34 -4.21 3.84 0.39 -1.06 114.94 120.11 2p1w s ASN 80 Ca -0.01 -2.63 0.06 0.00 0.21 0.00 0.00 52.86 50.49 2p1w s ASN 80 Cb -0.12 -1.27 -0.01 0.00 -0.55 0.00 0.00 41.25 39.30 2p1w s ASN 80 CO -0.05 -0.28 0.49 -1.38 -2.79 0.00 0.00 177.10 173.08 2p1w s HIS 81 N 0.29 3.12 -1.77 0.43 -3.43 -1.26 -4.87 115.29 107.80 2p1w s HIS 81 Ca 0.16 -0.19 0.05 0.00 -0.80 0.00 0.00 55.06 54.28 2p1w s HIS 81 Cb -0.24 -2.02 0.17 0.00 -1.43 0.00 0.00 32.58 29.06 2p1w s HIS 81 CO -0.02 -0.04 1.07 0.41 -2.00 0.00 0.00 174.74 174.16 2p1w n GLY 82 N -1.67 0.24 0.62 -1.38 0.00 -1.26 -4.19 105.19 97.55 2p1w n GLY 82 Ca 0.00 -0.20 0.13 0.00 0.00 0.00 0.00 46.02 45.95 2p1w n GLY 82 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2p1w n TYR 83 N 0.06 0.00 -3.92 1.61 4.01 -1.26 -4.96 117.16 112.70 2p1w n TYR 83 Ca 0.06 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.69 2p1w n TYR 83 Cb 0.22 -0.01 -0.02 0.00 -0.31 0.00 0.00 39.34 39.22 2p1w n TYR 83 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 2p1w n ASP 84 N 0.48 -1.33 -1.89 7.72 5.68 -1.26 -5.06 116.55 120.89 2p1w n ASP 84 Ca 0.16 -2.57 -0.07 0.00 -0.50 0.00 0.00 54.79 51.81 2p1w n ASP 84 Cb 0.45 2.40 0.28 0.00 -1.14 0.00 0.00 41.12 43.11 2p1w n ASP 84 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 2p1w n VAL 85 N -0.49 2.91 -4.65 2.12 0.24 -1.26 -4.94 118.33 112.26 2p1w n VAL 85 Ca -0.01 -1.78 -0.29 0.00 -2.04 0.00 0.00 64.34 60.22 2p1w n VAL 85 Cb 0.50 -0.36 -0.10 0.00 -1.47 0.00 0.00 33.84 32.41 2p1w n VAL 85 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 2p1w s PHE 86 N -3.05 2.21 -0.15 6.34 0.08 -1.26 0.39 117.98 122.54 2p1w s PHE 86 Ca 0.54 -0.82 -0.00 0.00 0.12 0.00 0.00 56.93 56.76 2p1w s PHE 86 Cb 0.44 -1.65 0.03 0.00 -0.57 0.00 0.00 43.02 41.27 2p1w s PHE 86 CO 0.12 0.30 -0.09 0.42 -0.10 0.00 0.00 175.22 175.87 2p1w s ILE 87 N -2.85 1.27 0.16 0.64 1.01 -0.09 -4.58 121.20 116.76 2p1w s ILE 87 Ca 0.25 -0.59 -0.08 0.00 0.00 0.00 0.00 60.65 60.22 2p1w s ILE 87 Cb 0.07 -1.33 -0.06 0.00 0.01 0.00 0.00 42.46 41.15 2p1w s ILE 87 CO 0.13 0.28 0.45 -1.00 0.00 0.00 0.00 174.94 174.80 2p1w s HIS 88 N 1.59 3.49 -0.06 3.97 3.76 -0.22 -1.89 115.29 125.93 2p1w s HIS 88 Ca 0.03 0.76 -0.01 0.00 -0.15 0.00 0.00 55.06 55.69 2p1w s HIS 88 Cb -0.14 -2.16 0.03 0.00 1.11 0.00 0.00 32.58 31.42 2p1w s HIS 88 CO -0.09 0.40 0.00 0.00 -0.85 0.00 0.00 174.74 174.21 2p1w s ALA 89 N -1.63 0.62 -0.05 -1.40 0.00 -0.04 -0.97 121.76 118.29 2p1w s ALA 89 Ca 0.41 -0.07 -0.01 0.00 0.00 0.00 0.00 51.96 52.29 2p1w s ALA 89 Cb -0.12 -0.67 0.03 0.00 0.00 0.00 0.00 23.12 22.35 2p1w s ALA 89 CO 0.21 -0.39 0.03 0.50 0.00 0.00 0.00 175.76 176.11 2p1w s ARG 90 N 1.82 0.25 -0.06 0.00 3.52 -0.78 -1.39 118.95 122.31 2p1w s ARG 90 Ca 0.02 0.23 -0.30 0.00 -0.13 0.00 0.00 55.73 55.56 2p1w s ARG 90 Cb -0.13 -0.70 -0.04 0.00 -1.56 0.00 0.00 34.95 32.52 2p1w s ARG 90 CO -0.04 -0.30 1.41 0.50 -0.81 0.00 0.00 175.30 176.07 2p1w s ARG 91 N 1.95 4.25 0.52 5.12 3.52 0.35 -0.01 118.95 134.65 2p1w s ARG 91 Ca 0.03 1.92 0.16 0.00 -0.13 0.00 0.00 55.73 57.72 2p1w s ARG 91 Cb -0.12 -3.72 0.89 0.00 -1.56 0.00 0.00 34.95 30.44 2p1w s ARG 91 CO -0.04 -0.67 1.45 1.49 -0.81 0.00 0.00 175.30 176.72 2p1w h GLU 92 N 8.31 0.00 0.00 5.12 4.81 -1.49 -3.40 114.58 127.93 2p1w h GLU 92 Ca -0.35 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 2p1w h GLU 92 Cb 1.16 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.54 2p1w h GLU 92 CO 0.93 0.00 0.00 0.43 -0.73 0.00 0.00 179.01 179.64 2p1w n SER 93 N -2.44 0.00 0.00 1.04 7.64 -1.26 -5.15 113.62 113.45 2p1w n SER 93 Ca -0.01 -0.77 0.00 0.00 1.01 0.00 0.00 58.87 59.10 2p1w n SER 93 Cb 0.50 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 2p1w n SER 93 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 2p1w n PRO 94 N -0.77 0.00 0.00 1.43 -0.02 -1.26 -5.06 135.00 129.32 2p1w n PRO 94 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2p1w n PRO 94 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 2p1w n PRO 94 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2p1w n SER 96 N 0.00 0.00 -0.06 2.55 7.64 -1.26 -5.27 113.62 117.22 2p1w n SER 96 Ca 0.00 0.00 0.05 0.00 1.01 0.00 0.00 58.87 59.93 2p1w n SER 96 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 2p1w n SER 96 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2p1w n GLN 97 N 0.30 3.21 -1.94 1.43 6.02 0.62 -4.95 117.38 122.08 2p1w n GLN 97 Ca 0.00 -0.16 -0.29 0.00 -0.01 0.00 0.00 57.00 56.54 2p1w n GLN 97 Cb 0.00 -1.02 0.14 0.00 1.02 0.00 0.00 30.24 30.39 2p1w n GLN 97 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 2p1w s GLY 98 N -1.83 1.70 0.19 1.08 0.00 -0.27 -4.45 107.32 103.74 2p1w s GLY 98 Ca 0.05 -0.99 -0.13 0.00 0.00 0.00 0.00 44.72 43.65 2p1w s GLY 98 CO 0.38 -0.34 0.57 0.54 0.00 0.00 0.00 173.10 174.25 2p1w s LYS 99 N -5.74 3.94 0.15 2.90 1.02 -1.26 -4.68 119.74 116.07 2p1w s LYS 99 Ca 0.69 0.46 -0.34 0.00 0.02 0.00 0.00 55.97 56.80 2p1w s LYS 99 Cb -0.07 -2.81 -0.13 0.00 -0.52 0.00 0.00 37.83 34.30 2p1w s LYS 99 CO 0.51 0.40 1.61 0.34 -0.92 0.00 0.00 175.35 177.30 2p1w n PHE 100 N 0.44 2.34 -0.06 3.18 7.35 -1.26 -4.28 117.46 125.16 2p1w n PHE 100 Ca -0.03 0.22 0.07 0.00 -0.76 0.00 0.00 57.45 56.95 2p1w n PHE 100 Cb 0.52 -2.57 0.17 0.00 0.35 0.00 0.00 39.48 37.95 2p1w n PHE 100 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2p1w n ALA 101 N 3.69 2.28 -0.12 3.13 0.00 -1.26 -4.98 120.51 123.25 2p1w n ALA 101 Ca 0.17 -1.07 0.00 0.00 0.00 0.00 0.00 53.44 52.54 2p1w n ALA 101 Cb 0.30 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 19.20 2p1w n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2p1w n GLY 102 N 0.81 1.05 3.73 0.00 0.00 -1.26 -4.77 105.19 104.74 2p1w n GLY 102 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 2p1w n GLY 102 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2p1w s ASP 103 N -2.86 7.09 0.12 1.61 1.01 -1.26 -2.66 116.67 119.72 2p1w s ASP 103 Ca 0.00 2.17 -0.25 0.00 0.71 0.00 0.00 52.55 55.18 2p1w s ASP 103 Cb 0.00 -2.60 0.07 0.00 1.01 0.00 0.00 42.92 41.40 2p1w s ASP 103 CO 0.00 -0.39 0.62 -1.59 0.21 0.00 0.00 175.17 174.02 2p1w s LYS 104 N 0.11 1.24 0.18 8.23 -2.85 -1.05 -1.68 119.74 123.93 2p1w s LYS 104 Ca 0.54 -0.33 0.10 0.00 -1.00 0.00 0.00 55.97 55.28 2p1w s LYS 104 Cb -0.32 0.57 -0.04 0.00 -2.06 0.00 0.00 37.83 35.98 2p1w s LYS 104 CO 0.34 -0.52 -0.21 -0.06 0.10 0.00 0.00 175.35 175.01 2p1w s PHE 105 N -3.26 2.04 0.12 1.78 0.08 -0.16 -2.58 117.98 115.99 2p1w s PHE 105 Ca -0.01 -0.42 0.09 0.00 0.12 0.00 0.00 56.93 56.71 2p1w s PHE 105 Cb -0.01 -1.01 -0.04 0.00 -0.57 0.00 0.00 43.02 41.40 2p1w s PHE 105 CO -0.09 0.42 -0.22 -1.01 -0.10 0.00 0.00 175.22 174.22 2p1w s HIS 106 N -1.91 1.95 -0.14 0.36 3.76 -0.58 -0.24 115.29 118.50 2p1w s HIS 106 Ca 0.18 -0.41 0.02 0.00 -0.15 0.00 0.00 55.06 54.70 2p1w s HIS 106 Cb -0.07 -1.05 0.01 0.00 1.11 0.00 0.00 32.58 32.58 2p1w s HIS 106 CO 0.08 0.26 -0.20 0.42 -0.85 0.00 0.00 174.74 174.46 2p1w s ILE 107 N -1.23 1.90 -0.16 0.60 1.01 -0.36 -1.55 121.20 121.42 2p1w s ILE 107 Ca 0.10 -0.88 0.00 0.00 0.00 0.00 0.00 60.65 59.87 2p1w s ILE 107 Cb -0.10 -1.70 -0.00 0.00 0.01 0.00 0.00 42.46 40.67 2p1w s ILE 107 CO 0.05 0.52 -0.15 -0.44 0.00 0.00 0.00 174.94 174.92 2p1w s SER 108 N 0.94 3.71 0.19 3.58 0.01 0.13 -1.27 113.70 121.00 2p1w s SER 108 Ca -0.05 -0.46 -0.00 0.00 1.31 0.00 0.00 55.95 56.75 2p1w s SER 108 Cb -0.15 -1.57 -0.04 0.00 0.21 0.00 0.00 66.02 64.46 2p1w s SER 108 CO -0.04 0.09 0.09 0.68 0.41 0.00 0.00 173.24 174.47 2p1w s VAL 109 N 0.81 0.23 0.21 3.43 -7.23 -1.26 -1.83 120.40 114.77 2p1w s VAL 109 Ca -0.05 -1.97 -0.31 0.00 -1.81 0.00 0.00 61.98 57.84 2p1w s VAL 109 Cb -0.15 -2.36 -0.10 0.00 0.56 0.00 0.00 36.38 34.32 2p1w s VAL 109 CO 0.00 -0.18 1.54 -0.22 -0.31 0.00 0.00 175.10 175.93 2p1w s LEU 110 N -3.16 4.37 0.30 1.32 2.96 0.11 -3.97 118.68 120.61 2p1w s LEU 110 Ca 0.33 2.70 0.05 0.00 -0.22 0.00 0.00 54.13 56.99 2p1w s LEU 110 Cb 0.07 -3.61 0.72 0.00 0.50 0.00 0.00 46.19 43.87 2p1w s LEU 110 CO 0.09 -0.81 1.75 0.08 -1.32 0.00 0.00 176.35 176.14 2p1w h ARG 111 N 5.93 0.64 -1.84 1.98 0.11 -1.88 -3.25 114.38 116.07 2p1w h ARG 111 Ca -0.44 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 59.60 2p1w h ARG 111 Cb 1.21 -0.14 0.00 0.00 1.11 0.00 0.00 29.97 32.15 2p1w h ARG 111 CO 0.85 0.42 0.00 -0.25 0.10 0.00 0.00 179.97 181.10 2p1w n ASP 112 N -4.85 0.00 0.00 0.08 8.00 -1.26 -4.72 116.55 113.80 2p1w n ASP 112 Ca 0.23 -0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.57 2p1w n ASP 112 Cb 0.58 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.68 2p1w n ASP 112 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2p1w n VAL 114 N 1.08 0.00 -0.33 2.53 0.31 -1.23 -4.83 118.33 115.86 2p1w n VAL 114 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.30 2p1w n VAL 114 Cb 0.00 0.00 0.09 0.00 -0.91 0.00 0.00 33.84 33.02 2p1w n VAL 114 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 2p1w h PRO 115 N 0.00 1.15 -0.32 5.55 0.11 -1.94 0.26 132.00 136.81 2p1w h PRO 115 Ca 0.00 -0.07 -0.09 0.00 0.11 0.00 0.00 66.00 65.95 2p1w h PRO 115 Cb 0.00 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 30.84 2p1w h PRO 115 CO 0.00 0.76 -0.16 1.96 -0.21 0.00 0.00 178.00 180.36 2p1w h GLN 116 N 1.19 0.66 -0.38 1.05 7.50 -1.98 -1.97 115.11 121.19 2p1w h GLN 116 Ca 0.33 -0.29 -0.01 0.00 0.50 0.00 0.00 58.65 59.18 2p1w h GLN 116 Cb -0.11 -0.02 -0.02 0.00 0.05 0.00 0.00 27.48 27.38 2p1w h GLN 116 CO -0.08 0.88 0.21 0.00 -1.50 0.00 0.00 178.83 178.34 2p1w h ALA 117 N 0.76 0.48 0.19 3.87 0.00 -1.87 -0.48 119.26 122.21 2p1w h ALA 117 Ca 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2p1w h ALA 117 Cb 0.68 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2p1w h ALA 117 CO 0.05 0.01 -0.15 0.35 0.00 0.00 0.00 179.25 179.50 2p1w h PHE 118 N 0.48 -0.40 -0.58 0.00 3.57 -0.43 -1.45 116.94 118.13 2p1w h PHE 118 Ca 0.13 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.68 2p1w h PHE 118 Cb 0.06 0.15 -0.05 0.00 2.79 0.00 0.00 35.95 38.90 2p1w h PHE 118 CO -0.03 -0.24 0.31 0.37 -2.23 0.00 0.00 178.31 176.50 2p1w h GLN 119 N -0.35 0.58 -0.37 1.11 4.15 -1.19 0.30 115.11 119.34 2p1w h GLN 119 Ca -0.01 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.36 2p1w h GLN 119 Cb 0.32 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.86 2p1w h GLN 119 CO -0.02 0.38 0.13 0.00 -1.93 0.00 0.00 178.83 177.40 2p1w h ALA 120 N 1.31 1.54 -0.00 3.38 0.00 -0.84 -2.93 119.26 121.72 2p1w h ALA 120 Ca 0.26 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2p1w h ALA 120 Cb 0.15 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2p1w h ALA 120 CO -0.16 0.36 -0.73 1.28 0.00 0.00 0.00 179.25 179.99 2p1w n LEU 121 N -4.37 0.84 -0.27 0.00 4.77 -0.57 -4.50 117.00 112.90 2p1w n LEU 121 Ca 0.02 -0.29 0.04 0.00 -0.03 0.00 0.00 56.01 55.75 2p1w n LEU 121 Cb 0.15 -0.11 0.18 0.00 -2.33 0.00 0.00 43.42 41.31 2p1w n LEU 121 CO 0.37 0.20 1.07 0.77 -1.33 0.00 0.00 177.39 178.47 2p1w h SER 122 N 0.16 0.46 -0.52 -1.43 4.64 -0.22 -0.19 113.55 116.44 2p1w h SER 122 Ca 0.00 0.08 0.06 0.00 -0.47 0.00 0.00 61.79 61.46 2p1w h SER 122 Cb 0.51 0.01 -0.05 0.00 -0.31 0.00 0.00 62.40 62.56 2p1w h SER 122 CO 0.00 0.22 0.22 1.23 -0.87 0.00 0.00 176.83 177.64 2p1w h GLY 123 N 0.59 0.72 0.87 -0.77 0.00 -1.77 -1.28 103.07 101.43 2p1w h GLY 123 Ca 0.40 -0.14 -0.14 0.00 0.00 0.00 0.00 47.33 47.45 2p1w h GLY 123 CO -0.32 0.05 -0.50 1.41 0.00 0.00 0.00 176.54 177.18 2p1w h LEU 124 N 0.43 0.62 -1.65 3.11 3.38 -1.72 -0.57 115.31 118.91 2p1w h LEU 124 Ca 0.24 -0.64 -0.03 0.00 0.09 0.00 0.00 57.88 57.54 2p1w h LEU 124 Cb 0.22 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2p1w h LEU 124 CO -0.21 1.15 -0.10 -0.07 0.09 0.00 0.00 178.44 179.30 2p1w h LEU 125 N 0.12 0.09 -2.23 1.67 3.38 -0.87 -2.18 115.31 115.28 2p1w h LEU 125 Ca -0.03 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2p1w h LEU 125 Cb 1.14 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.87 2p1w h LEU 125 CO 0.10 0.21 0.00 0.49 0.09 0.00 0.00 178.44 179.33 2p1w n PHE 126 N -4.36 0.38 -1.93 1.13 3.72 -0.50 -4.98 117.46 110.91 2p1w n PHE 126 Ca -0.02 -0.20 -0.41 0.00 -0.05 0.00 0.00 57.45 56.77 2p1w n PHE 126 Cb 0.21 -0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.73 2p1w n PHE 126 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2p1w s SER 127 N -1.51 6.53 0.56 4.37 0.15 -0.82 -4.65 113.70 118.33 2p1w s SER 127 Ca 0.34 2.86 0.31 0.00 0.70 0.00 0.00 55.95 60.17 2p1w s SER 127 Cb 0.21 -2.65 1.64 0.00 -1.71 0.00 0.00 66.02 63.51 2p1w s SER 127 CO 0.29 -0.75 2.13 1.05 1.20 0.00 0.00 173.24 177.17 2p1w h GLU 128 N 3.69 0.00 -0.01 5.44 4.11 -1.89 -1.95 114.58 123.96 2p1w h GLU 128 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.94 2p1w h GLU 128 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 2p1w h GLU 128 CO 0.69 0.07 -0.34 -0.25 0.07 0.00 0.00 179.01 179.25 2p1w n ASP 129 N -3.49 1.30 -4.76 3.06 8.00 -1.26 -4.95 116.55 114.44 2p1w n ASP 129 Ca -0.02 -1.05 -0.41 0.00 0.71 0.00 0.00 54.79 54.02 2p1w n ASP 129 Cb 0.20 0.25 -0.01 0.00 -0.02 0.00 0.00 41.12 41.55 2p1w n ASP 129 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2p1w s SER 130 N -2.52 6.35 0.00 -2.24 0.15 -0.74 -4.88 113.70 109.83 2p1w s SER 130 Ca 0.22 3.00 0.29 0.00 0.70 0.00 0.00 55.95 60.16 2p1w s SER 130 Cb 0.19 -2.65 1.33 0.00 -1.71 0.00 0.00 66.02 63.18 2p1w s SER 130 CO 0.55 -0.90 1.90 -0.81 1.20 0.00 0.00 173.24 175.18 2p1w n PRO 131 N 1.40 1.24 -3.28 5.44 -0.04 -1.26 -4.72 135.00 133.77 2p1w n PRO 131 Ca 0.05 -0.51 -0.45 0.00 -0.04 0.00 0.00 63.50 62.55 2p1w n PRO 131 Cb 0.38 -1.49 -0.06 0.00 -0.04 0.00 0.00 33.50 32.29 2p1w n PRO 131 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2p1w s VAL 132 N -2.11 5.10 -0.46 0.52 1.01 -1.26 -4.86 120.40 118.33 2p1w s VAL 132 Ca 0.39 -1.07 0.25 0.00 0.00 0.00 0.00 61.98 61.54 2p1w s VAL 132 Cb 0.21 -4.27 0.33 0.00 0.00 0.00 0.00 36.38 32.65 2p1w s VAL 132 CO 0.38 -0.78 1.68 0.44 0.00 0.00 0.00 175.10 176.82 2p1w h ASP 133 N 8.90 0.00 -3.38 3.32 3.32 -1.85 -3.45 116.42 123.28 2p1w h ASP 133 Ca -0.29 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.51 2p1w h ASP 133 Cb 1.10 0.00 -0.32 0.00 0.22 0.00 0.00 39.33 40.33 2p1w h ASP 133 CO 0.97 0.00 -0.61 -0.75 -1.72 0.00 0.00 179.24 177.13 2p1w s LYS 134 N -3.23 0.08 0.33 3.56 2.20 -1.26 -0.49 119.74 120.92 2p1w s LYS 134 Ca 0.07 0.40 -0.09 0.00 -0.36 0.00 0.00 55.97 55.99 2p1w s LYS 134 Cb 0.07 -0.20 0.01 0.00 -1.51 0.00 0.00 37.83 36.21 2p1w s LYS 134 CO 0.64 -0.19 0.56 1.67 -0.36 0.00 0.00 175.35 177.67 2p1w s TRP 135 N 1.35 0.60 0.06 4.03 1.48 -0.49 -1.11 118.94 124.85 2p1w s TRP 135 Ca -0.07 -0.98 -0.19 0.00 -1.06 0.00 0.00 56.10 53.80 2p1w s TRP 135 Cb -0.12 0.25 0.04 0.00 -1.16 0.00 0.00 33.47 32.48 2p1w s TRP 135 CO -0.06 -1.21 0.44 -1.59 -4.06 0.00 0.00 176.95 170.48 2p1w s LYS 136 N -3.17 0.98 -0.01 3.25 -2.85 -0.82 -0.86 119.74 116.28 2p1w s LYS 136 Ca 0.24 -0.38 0.02 0.00 -1.00 0.00 0.00 55.97 54.85 2p1w s LYS 136 Cb -0.02 0.44 -0.01 0.00 -2.06 0.00 0.00 37.83 36.19 2p1w s LYS 136 CO 0.15 -0.35 -0.07 0.54 0.10 0.00 0.00 175.35 175.71 2p1w s VAL 137 N -2.69 0.57 0.47 1.79 0.11 -0.79 -1.74 120.40 118.12 2p1w s VAL 137 Ca -0.04 -0.31 -0.24 0.00 -2.93 0.00 0.00 61.98 58.47 2p1w s VAL 137 Cb -0.00 -0.48 -0.07 0.00 -1.53 0.00 0.00 36.38 34.30 2p1w s VAL 137 CO -0.04 0.16 1.27 0.42 -3.33 0.00 0.00 175.10 173.59 2p1w s THR 138 N -0.16 2.61 0.22 5.04 -4.23 -0.02 -0.91 115.64 118.19 2p1w s THR 138 Ca 0.03 0.49 0.03 0.00 -1.18 0.00 0.00 61.69 61.06 2p1w s THR 138 Cb -0.03 -3.27 0.03 0.00 1.34 0.00 0.00 72.50 70.58 2p1w s THR 138 CO -0.00 0.02 0.29 -0.67 -0.54 0.00 0.00 174.62 173.72 2p1w n ASP 139 N -0.43 0.95 0.00 3.99 -0.08 0.16 -4.83 116.55 116.31 2p1w n ASP 139 Ca 0.07 -1.62 0.00 0.00 -1.51 0.00 0.00 54.79 51.73 2p1w n ASP 139 Cb 0.45 -0.14 0.00 0.00 2.34 0.00 0.00 41.12 43.77 2p1w n ASP 139 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2p1w n GLU 141 N -1.42 0.00 0.10 -0.67 1.02 -1.26 -1.58 120.64 116.83 2p1w n GLU 141 Ca 0.05 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.16 2p1w n GLU 141 Cb 0.23 0.00 0.17 0.00 -0.02 0.00 0.00 31.44 31.83 2p1w n GLU 141 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2p1w h LYS 142 N 0.00 0.20 -0.17 3.49 1.57 -1.94 -1.71 116.57 118.01 2p1w h LYS 142 Ca 0.00 -0.12 -0.07 0.00 -1.87 0.00 0.00 60.65 58.59 2p1w h LYS 142 Cb 0.00 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 2p1w h LYS 142 CO 0.00 0.68 -0.21 -0.39 -0.57 0.00 0.00 179.45 178.96 2p1w h VAL 143 N 0.16 1.23 0.00 0.50 -1.51 -1.57 -0.68 116.25 114.38 2p1w h VAL 143 Ca 0.00 -1.06 -0.25 0.00 -1.23 0.00 0.00 66.70 64.16 2p1w h VAL 143 Cb 0.98 1.33 0.02 0.00 -2.13 0.00 0.00 31.29 31.49 2p1w h VAL 143 CO 0.08 0.33 -0.99 0.58 -1.23 0.00 0.00 177.57 176.34 2p1w h VAL 144 N 0.28 1.30 -0.20 7.19 2.07 -1.79 0.16 116.25 125.26 2p1w h VAL 144 Ca 0.05 -2.23 -0.08 0.00 0.82 0.00 0.00 66.70 65.26 2p1w h VAL 144 Cb 0.53 2.42 -0.01 0.00 -1.52 0.00 0.00 31.29 32.71 2p1w h VAL 144 CO 0.04 0.68 -0.23 1.56 0.02 0.00 0.00 177.57 179.64 2p1w h GLN 145 N 0.32 0.36 -0.65 1.57 4.20 -1.05 -2.78 115.11 117.09 2p1w h GLN 145 Ca -0.13 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.46 2p1w h GLN 145 Cb 1.65 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 29.40 2p1w h GLN 145 CO 0.19 0.57 0.00 1.04 -0.67 0.00 0.00 178.83 179.97 2p1w n GLN 146 N -4.15 2.85 -3.66 1.46 6.02 -0.29 -4.95 117.38 114.66 2p1w n GLN 146 Ca -0.01 -2.41 -0.28 0.00 -0.01 0.00 0.00 57.00 54.30 2p1w n GLN 146 Cb 0.37 -1.63 0.01 0.00 1.02 0.00 0.00 30.24 30.02 2p1w n GLN 146 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2p1w n ALA 147 N 1.24 -1.17 -2.46 -1.58 0.00 -1.00 -4.98 120.51 110.56 2p1w n ALA 147 Ca 0.22 0.16 -0.28 0.00 0.00 0.00 0.00 53.44 53.55 2p1w n ALA 147 Cb 0.64 -3.84 -0.02 0.00 0.00 0.00 0.00 19.45 16.23 2p1w n ALA 147 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2p1w s ARG 148 N -6.34 3.60 0.12 0.00 3.00 0.53 -5.03 118.95 114.83 2p1w s ARG 148 Ca 0.55 0.03 -0.08 0.00 0.00 0.00 0.00 55.73 56.23 2p1w s ARG 148 Cb -0.28 -2.57 -0.06 0.00 0.00 0.00 0.00 34.95 32.05 2p1w s ARG 148 CO 0.68 0.09 0.42 0.14 0.00 0.00 0.00 175.30 176.62 2p1w s VAL 149 N -2.29 5.08 -0.42 3.52 -7.23 -1.26 -4.70 120.40 113.10 2p1w s VAL 149 Ca 0.45 0.33 0.02 0.00 -1.81 0.00 0.00 61.98 60.97 2p1w s VAL 149 Cb -0.10 -3.64 0.15 0.00 0.56 0.00 0.00 36.38 33.35 2p1w s VAL 149 CO 0.34 0.15 0.29 -0.55 -0.31 0.00 0.00 175.10 175.02 2p1w s SER 150 N -2.06 2.76 -0.06 4.85 0.15 -1.26 -4.90 113.70 113.18 2p1w s SER 150 Ca 0.38 -2.73 0.19 0.00 0.70 0.00 0.00 55.95 54.49 2p1w s SER 150 Cb -0.13 -0.66 -0.29 0.00 -1.71 0.00 0.00 66.02 63.23 2p1w s SER 150 CO 0.21 -0.23 0.35 0.18 1.20 0.00 0.00 173.24 174.94 2p1w n LEU 151 N 3.35 0.00 0.00 3.45 4.77 -1.26 -4.27 117.00 123.03 2p1w n LEU 151 Ca 0.18 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 2p1w n LEU 151 Cb 0.40 0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 2p1w n LEU 151 CO 0.16 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 2p1w n GLY 152 N 1.50 1.28 3.99 -0.72 0.00 -1.24 0.89 105.19 110.90 2p1w n GLY 152 Ca -0.09 -0.90 -0.31 0.00 0.00 0.00 0.00 46.02 44.71 2p1w n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2p1w n ALA 153 N -3.00 -1.32 0.43 4.61 0.00 -1.16 -4.82 120.51 115.24 2p1w n ALA 153 Ca 0.00 0.12 0.13 0.00 0.00 0.00 0.00 53.44 53.69 2p1w n ALA 153 Cb 0.00 -4.07 0.46 0.00 0.00 0.00 0.00 19.45 15.84 2p1w n ALA 153 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2p1w h GLN 154 N -1.92 0.00 -5.63 0.00 7.50 -1.54 -3.43 115.11 110.09 2p1w h GLN 154 Ca -0.59 0.00 -0.52 0.00 0.50 0.00 0.00 58.65 58.05 2p1w h GLN 154 Cb 1.38 0.00 -0.27 0.00 0.05 0.00 0.00 27.48 28.64 2p1w h GLN 154 CO 0.70 0.00 -0.82 -0.06 -1.50 0.00 0.00 178.83 177.15 2p1w s PHE 155 N -3.29 1.49 -0.05 2.96 0.08 -1.06 -0.84 117.98 117.26 2p1w s PHE 155 Ca 0.06 -0.32 0.01 0.00 0.12 0.00 0.00 56.93 56.80 2p1w s PHE 155 Cb 0.10 -0.92 0.02 0.00 -0.57 0.00 0.00 43.02 41.64 2p1w s PHE 155 CO 0.51 0.02 -0.06 0.99 -0.10 0.00 0.00 175.22 176.58 2p1w s THR 156 N -0.61 0.68 -0.21 0.64 2.01 -0.71 -1.22 115.64 116.22 2p1w s THR 156 Ca 0.05 -0.19 -0.01 0.00 0.31 0.00 0.00 61.69 61.85 2p1w s THR 156 Cb -0.07 -0.69 0.01 0.00 0.01 0.00 0.00 72.50 71.76 2p1w s THR 156 CO 0.00 0.26 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.31 2p1w s LEU 157 N 0.97 2.59 -0.11 4.42 1.43 0.67 -1.94 118.68 126.72 2p1w s LEU 157 Ca -0.10 -0.64 -0.18 0.00 -1.03 0.00 0.00 54.13 52.18 2p1w s LEU 157 Cb -0.14 -1.59 -0.04 0.00 0.03 0.00 0.00 46.19 44.44 2p1w s LEU 157 CO 0.00 -0.03 0.48 -0.31 0.23 0.00 0.00 176.35 176.72 2p1w s TYR 158 N 1.34 3.53 -0.01 0.29 2.02 -0.27 -0.99 117.35 123.26 2p1w s TYR 158 Ca 0.04 0.91 0.05 0.00 -0.37 0.00 0.00 57.07 57.70 2p1w s TYR 158 Cb -0.14 -2.55 -0.03 0.00 -0.40 0.00 0.00 41.96 38.84 2p1w s TYR 158 CO -0.08 0.20 -0.14 0.42 -1.57 0.00 0.00 175.55 174.37 2p1w s ILE 159 N 0.52 3.06 -0.05 2.71 -1.09 -0.67 -4.35 121.20 121.32 2p1w s ILE 159 Ca 0.26 -0.88 -0.05 0.00 -2.23 0.00 0.00 60.65 57.76 2p1w s ILE 159 Cb -0.15 -2.25 0.01 0.00 -1.58 0.00 0.00 42.46 38.50 2p1w s ILE 159 CO 0.11 0.48 0.14 -0.75 -1.23 0.00 0.00 174.94 173.69 2p1w s LYS 160 N -1.05 0.16 0.33 2.79 2.20 -1.26 -4.30 119.74 118.61 2p1w s LYS 160 Ca 0.13 0.20 -0.27 0.00 -0.36 0.00 0.00 55.97 55.67 2p1w s LYS 160 Cb -0.11 0.07 -0.13 0.00 -1.51 0.00 0.00 37.83 36.16 2p1w s LYS 160 CO 0.03 -0.02 1.14 -2.30 -0.36 0.00 0.00 175.35 173.84 2p1w n PRO 161 N 3.04 1.71 0.08 4.03 -0.02 -1.26 -4.86 135.00 137.72 2p1w n PRO 161 Ca -0.13 0.60 -0.10 0.00 -2.02 0.00 0.00 63.50 61.85 2p1w n PRO 161 Cb 0.59 -2.10 -0.06 0.00 -0.02 0.00 0.00 33.50 31.92 2p1w n PRO 161 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 2p1w h ASP 162 N 2.18 0.27 -4.09 2.55 2.03 -1.93 -0.68 116.42 116.75 2p1w h ASP 162 Ca -0.43 -0.25 -0.45 0.00 -0.73 0.00 0.00 57.03 55.17 2p1w h ASP 162 Cb 1.31 -0.09 -0.01 0.00 -0.83 0.00 0.00 39.33 39.72 2p1w h ASP 162 CO 0.61 1.10 0.34 -1.10 -1.03 0.00 0.00 179.24 179.16 2p1w s GLN 163 N -3.01 4.13 0.48 4.15 -0.21 -1.22 -0.28 119.66 123.71 2p1w s GLN 163 Ca -0.03 1.05 0.15 0.00 0.02 0.00 0.00 55.36 56.55 2p1w s GLN 163 Cb 0.09 -2.18 1.13 0.00 1.00 0.00 0.00 33.01 33.06 2p1w s GLN 163 CO 0.84 -0.10 2.07 1.49 -2.12 0.00 0.00 175.29 177.47 2p1w h GLU 164 N 1.60 0.01 -0.06 2.91 4.22 -1.90 -0.54 114.58 120.83 2p1w h GLU 164 Ca -0.48 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 58.96 2p1w h GLU 164 Cb 1.18 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2p1w h GLU 164 CO 0.61 0.09 0.00 0.27 -2.18 0.00 0.00 179.01 177.81 2p1w n ASN 165 N -4.43 0.35 -0.94 1.04 0.23 -1.26 -4.64 115.26 105.61 2p1w n ASN 165 Ca -0.03 -1.84 -0.12 0.00 -0.53 0.00 0.00 54.58 52.07 2p1w n ASN 165 Cb 0.17 -0.04 -0.05 0.00 -2.08 0.00 0.00 39.78 37.78 2p1w n ASN 165 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 2p1w n SER 166 N -0.39 -4.39 -4.77 0.53 7.64 -0.32 -4.92 113.62 107.01 2p1w n SER 166 Ca 0.06 0.27 -0.36 0.00 1.01 0.00 0.00 58.87 59.86 2p1w n SER 166 Cb 0.08 -2.98 -0.08 0.00 -1.01 0.00 0.00 64.21 60.22 2p1w n SER 166 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2p1w s GLN 167 N -3.11 3.59 0.22 1.43 -0.21 -1.26 -4.33 119.66 115.99 2p1w s GLN 167 Ca 0.00 -0.24 -0.30 0.00 0.02 0.00 0.00 55.36 54.85 2p1w s GLN 167 Cb 0.00 -3.16 -0.08 0.00 1.00 0.00 0.00 33.01 30.76 2p1w s GLN 167 CO 0.00 0.59 1.11 0.71 -2.12 0.00 0.00 175.29 175.58 2p1w s TYR 168 N -0.50 3.57 0.28 0.91 2.02 -1.26 -3.36 117.35 119.01 2p1w s TYR 168 Ca 0.11 1.62 -0.00 0.00 -0.37 0.00 0.00 57.07 58.43 2p1w s TYR 168 Cb -0.12 -3.30 -0.04 0.00 -0.40 0.00 0.00 41.96 38.11 2p1w s TYR 168 CO 0.02 -0.65 0.49 -1.54 -1.57 0.00 0.00 175.55 172.30 2p1w s SER 169 N -0.41 6.35 0.30 2.29 1.04 -1.26 -4.97 113.70 117.03 2p1w s SER 169 Ca 0.48 0.45 -0.01 0.00 0.48 0.00 0.00 55.95 57.35 2p1w s SER 169 Cb -0.31 -2.03 0.45 0.00 0.10 0.00 0.00 66.02 64.23 2p1w s SER 169 CO 0.38 -0.18 1.90 0.00 0.98 0.00 0.00 173.24 176.31 2p1w h ALA 170 N 1.33 1.33 -0.20 5.32 0.00 -1.96 -1.40 119.26 123.67 2p1w h ALA 170 Ca -0.49 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.28 2p1w h ALA 170 Cb 1.21 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2p1w h ALA 170 CO 0.64 0.53 0.10 0.77 0.00 0.00 0.00 179.25 181.29 2p1w h SER 171 N 0.92 0.26 -0.32 0.00 0.02 -1.96 -1.65 113.55 110.82 2p1w h SER 171 Ca 0.23 -0.12 -0.03 0.00 -0.84 0.00 0.00 61.79 61.03 2p1w h SER 171 Cb 0.09 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 2p1w h SER 171 CO -0.03 0.30 0.08 0.15 -1.14 0.00 0.00 176.83 176.19 2p1w h PHE 172 N 0.20 0.54 -0.61 3.45 3.57 -1.89 -1.01 116.94 121.20 2p1w h PHE 172 Ca 0.07 -0.06 -0.04 0.00 3.53 0.00 0.00 57.97 61.47 2p1w h PHE 172 Cb 0.11 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.67 2p1w h PHE 172 CO -0.03 0.56 0.23 -0.07 -2.23 0.00 0.00 178.31 176.78 2p1w h LEU 173 N 0.37 0.81 -0.23 0.59 3.38 -1.23 0.15 115.31 119.15 2p1w h LEU 173 Ca 0.10 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 2p1w h LEU 173 Cb 0.29 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2p1w h LEU 173 CO 0.00 0.74 -0.03 -0.74 0.09 0.00 0.00 178.44 178.50 2p1w h HIS 174 N 0.87 0.48 -0.51 1.13 2.76 -1.18 -0.55 115.15 118.16 2p1w h HIS 174 Ca 0.21 -0.09 0.01 0.00 -2.20 0.00 0.00 60.37 58.30 2p1w h HIS 174 Cb 0.19 -0.12 -0.03 0.00 1.55 0.00 0.00 27.41 29.00 2p1w h HIS 174 CO 0.01 0.64 0.32 -0.22 -1.30 0.00 0.00 177.93 177.38 2p1w h LYS 175 N 0.18 0.63 -0.40 5.26 3.64 -0.69 0.05 116.57 125.23 2p1w h LYS 175 Ca 0.06 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 2p1w h LYS 175 Cb 0.47 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 2p1w h LYS 175 CO 0.02 0.42 0.17 1.15 -2.27 0.00 0.00 179.45 178.94 2p1w h THR 176 N 0.65 1.19 -0.08 1.00 2.02 -0.59 0.96 112.91 118.06 2p1w h THR 176 Ca 0.20 -0.57 -0.00 0.00 0.77 0.00 0.00 66.41 66.81 2p1w h THR 176 Cb -0.03 0.82 -0.00 0.00 -1.74 0.00 0.00 68.15 67.19 2p1w h THR 176 CO -0.06 0.21 0.05 -0.09 0.37 0.00 0.00 175.52 175.99 2p1w h ARG 177 N 0.50 0.10 -0.88 6.66 2.43 -0.81 -0.63 114.38 121.76 2p1w h ARG 177 Ca 0.13 -0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.38 2p1w h ARG 177 Cb 0.17 -0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 29.63 2p1w h ARG 177 CO -0.01 0.12 0.54 1.96 -1.51 0.00 0.00 179.97 181.07 2p1w h GLN 178 N 0.06 0.91 0.38 0.20 1.08 -0.78 -1.12 115.11 115.84 2p1w h GLN 178 Ca 0.03 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.15 2p1w h GLN 178 Cb 0.05 -0.20 0.00 0.00 -0.05 0.00 0.00 27.48 27.28 2p1w h GLN 178 CO -0.00 0.60 -0.18 0.35 -0.95 0.00 0.00 178.83 178.64 2p1w h PHE 179 N 0.93 -0.48 -0.90 2.96 3.57 -0.35 -1.12 116.94 121.55 2p1w h PHE 179 Ca 0.40 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 62.01 2p1w h PHE 179 Cb 0.28 0.16 -0.07 0.00 2.79 0.00 0.00 35.95 39.11 2p1w h PHE 179 CO -0.03 -0.25 0.58 0.82 -2.23 0.00 0.00 178.31 177.20 2p1w h ILE 180 N -0.60 0.91 -0.10 1.41 5.03 -0.77 -1.06 117.51 122.33 2p1w h ILE 180 Ca -0.05 -0.28 -0.16 0.00 -0.12 0.00 0.00 64.86 64.25 2p1w h ILE 180 Cb 0.44 0.02 -0.01 0.00 -3.03 0.00 0.00 36.82 34.24 2p1w h ILE 180 CO 0.09 0.15 -0.63 -0.33 -0.68 0.00 0.00 178.15 176.74 2p1w h GLU 181 N 0.82 0.37 -0.71 2.37 5.08 -0.98 -2.20 114.58 119.32 2p1w h GLU 181 Ca 0.44 -0.26 -0.06 0.00 -1.00 0.00 0.00 59.36 58.47 2p1w h GLU 181 Cb 0.54 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 2p1w h GLU 181 CO -0.20 0.88 0.22 0.00 -1.00 0.00 0.00 179.01 178.91 2p1w h LEU 183 N 1.06 0.22 -0.09 0.00 3.38 -1.05 0.28 115.31 119.11 2p1w h LEU 183 Ca 0.23 -0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.16 2p1w h LEU 183 Cb 0.30 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 2p1w h LEU 183 CO -0.01 0.23 -0.10 -0.33 0.09 0.00 0.00 178.44 178.32 2p1w h GLU 184 N 0.19 -0.12 -0.87 1.13 4.39 -1.09 -1.94 114.58 116.27 2p1w h GLU 184 Ca 0.06 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.75 2p1w h GLU 184 Cb 0.05 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.69 2p1w h GLU 184 CO -0.01 -0.08 0.45 1.03 -1.16 0.00 0.00 179.01 179.23 2p1w h SER 185 N -0.13 1.11 -0.54 1.42 0.87 -1.01 -2.33 113.55 112.94 2p1w h SER 185 Ca 0.07 -0.12 -0.02 0.00 -1.23 0.00 0.00 61.79 60.49 2p1w h SER 185 Cb 0.23 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.88 2p1w h SER 185 CO -0.17 0.92 0.27 -0.09 -0.53 0.00 0.00 176.83 177.22 2p1w h ARG 186 N 1.23 0.78 -0.29 2.24 9.65 -0.61 -0.87 114.38 126.50 2p1w h ARG 186 Ca 0.30 -0.11 -0.04 0.00 -1.10 0.00 0.00 59.98 59.04 2p1w h ARG 186 Cb 0.07 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 28.50 2p1w h ARG 186 CO -0.04 0.63 0.05 -0.07 2.80 0.00 0.00 179.97 183.34 2p1w h LEU 187 N 0.73 0.47 -0.72 3.80 3.38 -1.17 -2.35 115.31 119.44 2p1w h LEU 187 Ca 0.19 -0.26 -0.11 0.00 0.09 0.00 0.00 57.88 57.78 2p1w h LEU 187 Cb 0.11 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2p1w h LEU 187 CO -0.02 0.61 -0.22 0.77 0.09 0.00 0.00 178.44 179.67 2p1w h SER 188 N 0.31 0.76 0.71 -0.43 4.64 -1.33 -1.38 113.55 116.83 2p1w h SER 188 Ca 0.09 -0.27 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 2p1w h SER 188 Cb 0.34 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 2p1w h SER 188 CO 0.01 0.96 0.00 -0.33 -0.87 0.00 0.00 176.83 176.60 2p1w h GLU 189 N 0.66 0.00 -0.63 4.77 4.39 -1.08 -1.13 114.58 121.56 2p1w h GLU 189 Ca 0.09 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.79 2p1w h GLU 189 Cb 0.72 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 2p1w h GLU 189 CO 0.06 0.00 0.00 0.09 -1.16 0.00 0.00 179.01 178.00 2p1w n ASN 190 N -3.07 3.63 -2.26 1.42 3.02 -0.85 -4.95 115.26 112.20 2p1w n ASN 190 Ca -0.00 -1.99 -0.20 0.00 -0.03 0.00 0.00 54.58 52.35 2p1w n ASN 190 Cb 0.23 -0.42 -0.02 0.00 -0.61 0.00 0.00 39.78 38.96 2p1w n ASN 190 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2p1w n GLY 191 N 1.58 -0.09 3.70 7.41 0.00 -0.43 -4.93 105.19 112.43 2p1w n GLY 191 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 2p1w n GLY 191 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2p1w s VAL 192 N -2.96 3.49 0.01 1.61 1.01 -0.58 -4.97 120.40 118.01 2p1w s VAL 192 Ca 0.00 1.00 -0.30 0.00 0.00 0.00 0.00 61.98 62.68 2p1w s VAL 192 Cb 0.00 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 2p1w s VAL 192 CO 0.00 0.04 1.02 -0.63 0.00 0.00 0.00 175.10 175.53 2p1w s ILE 193 N 1.68 4.72 0.69 2.22 1.01 -1.26 -4.75 121.20 125.51 2p1w s ILE 193 Ca 0.64 1.95 -0.15 0.00 0.00 0.00 0.00 60.65 63.09 2p1w s ILE 193 Cb -0.34 -4.25 0.02 0.00 0.01 0.00 0.00 42.46 37.89 2p1w s ILE 193 CO 0.29 0.14 1.16 -0.94 0.00 0.00 0.00 174.94 175.59 2p1w s SER 194 N 1.03 4.65 0.00 3.58 1.04 -1.26 -0.71 113.70 122.02 2p1w s SER 194 Ca 0.53 2.19 0.00 0.00 0.48 0.00 0.00 55.95 59.15 2p1w s SER 194 Cb -0.22 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.32 2p1w s SER 194 CO 0.28 -1.95 0.00 0.61 0.98 0.00 0.00 173.24 173.16 2p1w n GLY 195 N -0.02 2.61 3.32 7.32 0.00 -0.76 -3.75 105.19 113.91 2p1w n GLY 195 Ca 0.12 -1.92 -0.35 0.00 0.00 0.00 0.00 46.02 43.87 2p1w n GLY 195 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2p1w s GLN 196 N 3.40 3.35 0.22 1.61 0.74 0.26 -4.81 119.66 124.43 2p1w s GLN 196 Ca 0.00 -0.65 -0.32 0.00 0.05 0.00 0.00 55.36 54.44 2p1w s GLN 196 Cb 0.00 -3.06 -0.12 0.00 1.10 0.00 0.00 33.01 30.93 2p1w s GLN 196 CO 0.00 -0.23 1.68 0.00 -0.55 0.00 0.00 175.29 176.20 2p1w n PRO 198 N 3.52 1.28 -0.03 0.00 -0.02 -1.26 -4.87 135.00 133.63 2p1w n PRO 198 Ca 0.14 0.47 0.10 0.00 -2.02 0.00 0.00 63.50 62.20 2p1w n PRO 198 Cb 0.35 -2.16 0.51 0.00 -0.02 0.00 0.00 33.50 32.17 2p1w n PRO 198 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2p1w h GLU 199 N 1.22 0.37 -0.01 -0.52 4.39 -2.03 -2.11 114.58 115.90 2p1w h GLU 199 Ca -0.47 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.21 2p1w h GLU 199 Cb 1.34 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.91 2p1w h GLU 199 CO 0.55 0.25 -0.00 0.43 -1.16 0.00 0.00 179.01 179.07 2p1w n SER 200 N -4.47 1.13 -4.98 1.42 7.64 -1.26 -4.91 113.62 108.18 2p1w n SER 200 Ca 0.07 -1.37 -0.20 0.00 1.01 0.00 0.00 58.87 58.38 2p1w n SER 200 Cb 0.29 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.50 2p1w n SER 200 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2p1w s ASP 201 N -2.01 5.77 0.06 6.43 1.11 -0.79 -4.82 116.67 122.42 2p1w s ASP 201 Ca 0.40 -0.03 0.02 0.00 0.18 0.00 0.00 52.55 53.13 2p1w s ASP 201 Cb 0.21 -1.20 -0.03 0.00 1.07 0.00 0.00 42.92 42.97 2p1w s ASP 201 CO 0.35 -0.69 -0.07 0.68 1.18 0.00 0.00 175.17 176.62 2p1w s VAL 202 N -2.43 0.60 -0.07 -1.27 -7.23 -0.44 -4.91 120.40 104.66 2p1w s VAL 202 Ca 0.49 -1.44 -0.30 0.00 -1.81 0.00 0.00 61.98 58.93 2p1w s VAL 202 Cb -0.10 -1.06 0.09 0.00 0.56 0.00 0.00 36.38 35.88 2p1w s VAL 202 CO 0.35 -0.59 0.81 -1.38 -0.31 0.00 0.00 175.10 173.98 2p1w s HIS 203 N -2.32 -0.52 0.67 2.82 -3.43 -1.26 -0.40 115.29 110.85 2p1w s HIS 203 Ca -0.01 0.81 -0.10 0.00 -0.80 0.00 0.00 55.06 54.96 2p1w s HIS 203 Cb -0.04 0.45 0.01 0.00 -1.43 0.00 0.00 32.58 31.57 2p1w s HIS 203 CO -0.02 -0.53 1.04 -1.25 -2.00 0.00 0.00 174.74 171.99 2p1w s PRO 204 N -1.52 2.96 0.58 -0.38 0.04 -1.26 -4.95 135.00 130.48 2p1w s PRO 204 Ca -0.05 0.39 0.28 0.00 0.04 0.00 0.00 61.00 61.65 2p1w s PRO 204 Cb -0.00 -2.09 1.63 0.00 0.04 0.00 0.00 34.50 34.08 2p1w s PRO 204 CO 0.04 -0.90 2.09 1.49 0.04 0.00 0.00 177.00 179.76 2p1w h GLU 205 N -0.50 0.00 -0.01 4.56 4.22 -2.01 -1.76 114.58 119.08 2p1w h GLU 205 Ca -0.45 0.00 0.00 0.00 0.08 0.00 0.00 59.36 58.99 2p1w h GLU 205 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 2p1w h GLU 205 CO 0.63 0.00 -0.02 0.27 -2.18 0.00 0.00 179.01 177.71 2p1w n ASN 206 N -3.84 0.86 -4.52 1.04 6.94 -1.26 -4.68 115.26 109.81 2p1w n ASN 206 Ca 0.02 -1.20 -0.38 0.00 -0.02 0.00 0.00 54.58 53.00 2p1w n ASN 206 Cb 0.34 -0.00 -0.12 0.00 -2.36 0.00 0.00 39.78 37.64 2p1w n ASN 206 CO 0.00 0.00 0.00 0.26 -1.03 0.00 0.00 177.26 176.49 2p1w s TRP 207 N -2.08 3.17 -0.05 -2.53 0.52 -0.66 -4.94 118.94 112.37 2p1w s TRP 207 Ca 0.40 -0.16 0.21 0.00 0.02 0.00 0.00 56.10 56.56 2p1w s TRP 207 Cb 0.21 -2.33 -0.32 0.00 -1.15 0.00 0.00 33.47 29.88 2p1w s TRP 207 CO 0.37 -0.27 0.41 1.63 0.02 0.00 0.00 176.95 179.11 2p1w n LYS 208 N 5.01 0.66 0.00 4.98 4.76 -1.26 -4.73 118.16 127.58 2p1w n LYS 208 Ca -0.15 -0.17 0.00 0.00 -2.87 0.00 0.00 58.31 55.12 2p1w n LYS 208 Cb 0.51 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.20 2p1w n LYS 208 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 2p1w n TYR 209 N -2.30 0.00 -2.70 2.13 4.01 -1.26 -4.64 117.16 112.40 2p1w n TYR 209 Ca -0.08 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.33 2p1w n TYR 209 Cb 0.63 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.61 2p1w n TYR 209 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2p1w s LEU 210 N -5.14 3.90 0.10 7.72 2.01 -1.26 -0.69 118.68 125.32 2p1w s LEU 210 Ca 0.00 1.79 -0.13 0.00 0.01 0.00 0.00 54.13 55.81 2p1w s LEU 210 Cb 0.00 -4.55 0.02 0.00 0.01 0.00 0.00 46.19 41.67 2p1w s LEU 210 CO 0.00 -0.55 0.30 -0.94 1.01 0.00 0.00 176.35 176.17 2p1w s SER 211 N -2.10 -0.06 0.18 2.29 1.04 -0.59 -4.83 113.70 109.63 2p1w s SER 211 Ca 0.64 -0.46 0.09 0.00 0.48 0.00 0.00 55.95 56.70 2p1w s SER 211 Cb -0.12 0.41 -0.04 0.00 0.10 0.00 0.00 66.02 66.36 2p1w s SER 211 CO 0.16 -0.78 -0.19 -0.47 0.98 0.00 0.00 173.24 172.94 2p1w s TYR 212 N -3.76 1.95 -0.15 5.02 5.04 0.47 -1.52 117.35 124.40 2p1w s TYR 212 Ca 0.03 -0.44 -0.30 0.00 -2.44 0.00 0.00 57.07 53.92 2p1w s TYR 212 Cb 0.03 -0.95 0.13 0.00 0.35 0.00 0.00 41.96 41.51 2p1w s TYR 212 CO -0.11 0.40 0.99 -0.98 -1.34 0.00 0.00 175.55 174.52 2p1w s ARG 213 N -2.91 0.61 -0.27 4.97 1.70 -1.06 -1.32 118.95 120.66 2p1w s ARG 213 Ca 0.19 0.11 0.02 0.00 -0.47 0.00 0.00 55.73 55.57 2p1w s ARG 213 Cb -0.06 0.29 0.07 0.00 -0.57 0.00 0.00 34.95 34.68 2p1w s ARG 213 CO 0.08 -0.20 -0.03 1.21 -1.08 0.00 0.00 175.30 175.29 2p1w s ASN 214 N -1.23 4.17 0.67 -2.89 3.84 -1.26 -2.52 114.94 115.72 2p1w s ASN 214 Ca -0.01 -1.47 0.44 0.00 0.21 0.00 0.00 52.86 52.03 2p1w s ASN 214 Cb -0.00 -1.31 2.39 0.00 -0.55 0.00 0.00 41.25 41.78 2p1w s ASN 214 CO 0.01 -0.28 2.36 1.05 -2.79 0.00 0.00 177.10 177.45 2p1w h GLU 215 N 7.86 0.00 -0.00 0.43 4.11 -1.87 -2.36 114.58 122.76 2p1w h GLU 215 Ca -0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.28 2p1w h GLU 215 Cb 1.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.30 2p1w h GLU 215 CO 0.45 0.00 -0.13 1.28 0.07 0.00 0.00 179.01 180.68 2p1w n LEU 216 N -3.12 0.15 -4.15 3.06 4.32 -1.26 -5.10 117.00 110.91 2p1w n LEU 216 Ca -0.03 0.34 -0.13 0.00 -0.02 0.00 0.00 56.01 56.17 2p1w n LEU 216 Cb 0.08 -0.41 -0.08 0.00 -1.62 0.00 0.00 43.42 41.40 2p1w n LEU 216 CO 0.20 0.04 -0.06 -0.13 -1.22 0.00 0.00 177.39 176.22 2p1w s ARG 217 N -2.95 1.47 0.00 3.23 0.52 -0.89 -5.12 118.95 115.21 2p1w s ARG 217 Ca 0.15 -1.61 0.00 0.00 -0.52 0.00 0.00 55.73 53.75 2p1w s ARG 217 Cb 0.19 0.35 0.00 0.00 0.52 0.00 0.00 34.95 36.01 2p1w s ARG 217 CO 0.57 -0.55 0.00 1.04 0.02 0.00 0.00 175.30 176.38 2p1w n GLN 226 N -0.39 0.00 0.24 3.54 1.13 -1.26 -5.03 117.38 115.60 2p1w n GLN 226 Ca 0.02 0.00 0.11 0.00 -1.94 0.00 0.00 57.00 55.19 2p1w n GLN 226 Cb 0.64 0.00 0.54 0.00 0.11 0.00 0.00 30.24 31.53 2p1w n GLN 226 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2p1w h ARG 227 N 0.00 0.00 -0.78 -1.09 3.08 -1.91 -2.65 114.38 111.03 2p1w h ARG 227 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 2p1w h ARG 227 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 2p1w h ARG 227 CO 0.00 0.19 0.32 0.37 -1.07 0.00 0.00 179.97 179.78 2p1w h GLN 228 N 0.00 1.16 -0.20 0.04 5.75 -1.99 -2.69 115.11 117.18 2p1w h GLN 228 Ca -0.00 -0.21 -0.16 0.00 -0.15 0.00 0.00 58.65 58.13 2p1w h GLN 228 Cb 0.63 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 28.98 2p1w h GLN 228 CO 0.02 0.94 -0.53 0.00 -2.65 0.00 0.00 178.83 176.61 2p1w h ALA 229 N 1.17 0.71 -0.81 3.38 0.00 -1.93 -3.16 119.26 118.62 2p1w h ALA 229 Ca 0.26 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 2p1w h ALA 229 Cb 0.20 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 2p1w h ALA 229 CO -0.02 0.68 0.45 -0.07 0.00 0.00 0.00 179.25 180.29 2p1w h LEU 230 N 0.44 1.00 -1.79 0.00 3.38 -1.39 -1.50 115.31 115.45 2p1w h LEU 230 Ca 0.01 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2p1w h LEU 230 Cb 1.07 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.56 2p1w h LEU 230 CO 0.10 0.80 0.00 0.03 0.09 0.00 0.00 178.44 179.46 2p1w h ARG 231 N 1.13 0.00 0.00 1.13 3.08 -1.44 -1.67 114.38 116.61 2p1w h ARG 231 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.34 2p1w h ARG 231 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 2p1w h ARG 231 CO -0.05 0.00 -0.97 0.39 -1.07 0.00 0.00 179.97 178.27 2p1w n GLU 232 N -2.63 0.26 -1.66 0.04 -0.58 -0.58 -4.67 120.64 110.82 2p1w n GLU 232 Ca -0.01 0.00 -0.45 0.00 -0.42 0.00 0.00 57.16 56.28 2p1w n GLU 232 Cb 0.12 -1.59 -0.03 0.00 -0.57 0.00 0.00 31.44 29.37 2p1w n GLU 232 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2p1w n GLU 233 N -1.92 2.01 -0.34 3.49 -0.58 -0.63 -4.88 120.64 117.79 2p1w n GLU 233 Ca 0.02 0.72 -0.03 0.00 -0.42 0.00 0.00 57.16 57.45 2p1w n GLU 233 Cb 0.43 -2.40 0.09 0.00 -0.57 0.00 0.00 31.44 28.99 2p1w n GLU 233 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 2p1w h PRO 234 N 4.69 1.22 0.01 3.49 0.11 -1.92 -2.21 132.00 137.39 2p1w h PRO 234 Ca -0.45 -0.09 0.02 0.00 0.11 0.00 0.00 66.00 65.59 2p1w h PRO 234 Cb 1.27 -0.27 -0.03 0.00 0.11 0.00 0.00 31.00 32.09 2p1w h PRO 234 CO 0.79 0.84 -0.13 0.35 -0.21 0.00 0.00 178.00 179.64 2p1w h PHE 235 N 1.25 -0.35 -0.47 0.65 3.57 -1.95 -1.17 116.94 118.46 2p1w h PHE 235 Ca 0.33 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.88 2p1w h PHE 235 Cb -0.09 0.15 -0.04 0.00 2.79 0.00 0.00 35.95 38.76 2p1w h PHE 235 CO -0.00 -0.20 0.25 -0.92 -2.23 0.00 0.00 178.31 175.20 2p1w h TYR 236 N -0.23 0.45 -0.04 0.41 3.20 -1.81 -2.68 116.97 116.27 2p1w h TYR 236 Ca 0.05 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.85 2p1w h TYR 236 Cb 0.29 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 2p1w h TYR 236 CO -0.19 0.23 -0.37 0.00 -1.64 0.00 0.00 178.16 176.19 2p1w h ARG 237 N 0.49 0.08 -1.68 1.82 3.08 -1.18 -2.19 114.38 114.79 2p1w h ARG 237 Ca 0.20 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.22 2p1w h ARG 237 Cb 0.10 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.15 2p1w h ARG 237 CO -0.14 0.45 0.00 1.28 -1.07 0.00 0.00 179.97 180.49 2p1w n LEU 238 N -4.08 2.99 0.00 3.04 4.77 -0.46 -0.97 117.00 122.29 2p1w n LEU 238 Ca -0.02 -1.39 0.00 0.00 -0.03 0.00 0.00 56.01 54.57 2p1w n LEU 238 Cb 0.42 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 2p1w n LEU 238 CO 0.40 0.54 0.00 0.35 -1.33 0.00 0.00 177.39 177.35 2p1w n THR 240 N 1.20 0.00 1.24 -5.08 -2.24 -0.83 -5.02 114.28 103.55 2p1w n THR 240 Ca 0.00 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.91 2p1w n THR 240 Cb 0.35 0.00 0.30 0.00 -2.10 0.00 0.00 70.33 68.88 2p1w n THR 240 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88